Science.gov

Sample records for traditional spectroscopic methods

  1. Traditional Methods for Mineral Analysis

    NASA Astrophysics Data System (ADS)

    Ward, Robert E.; Carpenter, Charles E.

    This chapter describes traditional methods for analysis of minerals involving titrimetric and colorimetric procedures, and the use of ion selective electrodes. Other traditional methods of mineral analysis include gravimetric titration (i.e., insoluble forms of minerals are precipitated, rinse, dried, and weighed) and redox reactions (i.e., mineral is part of an oxidation-reduction reaction, and product is quantitated). However, these latter two methods will not be covered because they currently are used little in the food industry. The traditional methods that will be described have maintained widespread usage in the food industry despite the development of more modern instrumentation such as atomic absorption spectroscopy and inductively coupled plasma-atomic emission spectroscopy (Chap. 24). Traditional methods generally require chemicals and equipment that are routinely available in an analytical laboratory and are within the experience of most laboratory technicians. Additionally, traditional methods often form the basis for rapid analysis kits (e.g., Quantab®; for salt determination) that are increasingly in demand. Procedures for analysis of minerals of major nutritional or food processing concern are used for illustrative purposes. For additional examples of traditional methods refer to references (1-6). Slight modifications of these traditional methods are often needed for specific foodstuffs to minimize interferences or to be in the range of analytical performance. For analytical requirements for specific foods see the Official Methods of Analysis of AOAC International (5) and related official methods (6).

  2. Calibration method for spectroscopic systems

    DOEpatents

    Sandison, D.R.

    1998-11-17

    Calibration spots of optically-characterized material placed in the field of view of a spectroscopic system allow calibration of the spectroscopic system. Response from the calibration spots is measured and used to calibrate for varying spectroscopic system operating parameters. The accurate calibration achieved allows quantitative spectroscopic analysis of responses taken at different times, different excitation conditions, and of different targets. 3 figs.

  3. Mass spectroscopic apparatus and method

    DOEpatents

    Bomse, David S. (Santa Fe, NM); Silver, Joel A. (Santa Fe, NM); Stanton, Alan C. (Santa Fe, NM)

    1991-01-01

    The disclosure is directed to a method and apparatus for ionization modulated mass spectrometric analysis. Analog or digital data acquisition and processing can be used. Ions from a time variant source are detected and quantified. The quantified ion output is analyzed using a computer to provide a two-dimensional representation of at least one component present within an analyte.

  4. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor)

    2010-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted simultaneously with native fluorescence spectroscopy to provide high levels of sensitivity and specificity in the same instrument.

  5. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor)

    2009-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted simultaneously with native fluorescence spectroscopy to provide high levels of sensitivity and specificity in the same instrument.

  6. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor); Bhartia, Rohit (Inventor)

    2013-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted along with photoluminescence spectroscopy (i.e. fluorescence and/or phosphorescence spectroscopy) to provide high levels of sensitivity and specificity in the same instrument.

  7. Spectroscopic Chemical Analysis Methods and Apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F.; Reid, Ray D.

    2012-01-01

    This invention relates to non-contact spectroscopic methods and apparatus for performing chemical analysis and the ideal wavelengths and sources needed for this analysis. It employs deep ultraviolet (200- to 300-nm spectral range) electron-beam-pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor lightemitting devices, and hollow cathode metal ion lasers. Three achieved goals for this innovation are to reduce the size (under 20 L), reduce the weight [under 100 lb (.45 kg)], and reduce the power consumption (under 100 W). This method can be used in microscope or macroscope to provide measurement of Raman and/or native fluorescence emission spectra either by point-by-point measurement, or by global imaging of emissions within specific ultraviolet spectral bands. In other embodiments, the method can be used in analytical instruments such as capillary electrophoresis, capillary electro-chromatography, high-performance liquid chromatography, flow cytometry, and related instruments for detection and identification of unknown analytes using a combination of native fluorescence and/or Raman spectroscopic methods. This design provides an electron-beampumped semiconductor radiation-producing method, or source, that can emit at a wavelength (or wavelengths) below 300 nm, e.g. in the deep ultraviolet between about 200 and 300 nm, and more preferably less than 260 nm. In some variations, the method is to produce incoherent radiation, while in other implementations it produces laser radiation. In some variations, this object is achieved by using an AlGaN emission medium, while in other implementations a diamond emission medium may be used. This instrument irradiates a sample with deep UV radiation, and then uses an improved filter for separating wavelengths to be detected. This provides a multi-stage analysis of the sample. To avoid the difficulties related to producing deep UV semiconductor sources, a pumping approach has been developed that uses ballistic electron beam injection directly into the active region of a wide bandgap semiconductor material.

  8. Selective spectroscopic methods for water analysis

    SciTech Connect

    Vaidya, B.

    1997-06-24

    This dissertation explores in large part the development of a few types of spectroscopic methods in the analysis of water. Methods for the determination of some of the most important properties of water like pH, metal ion content, and chemical oxygen demand are investigated in detail. This report contains a general introduction to the subject and the conclusions. Four chapters and an appendix have been processed separately. They are: chromogenic and fluorogenic crown ether compounds for the selective extraction and determination of Hg(II); selective determination of cadmium in water using a chromogenic crown ether in a mixed micellar solution; reduction of chloride interference in chemical oxygen demand determination without using mercury salts; structural orientation patterns for a series of anthraquinone sulfonates adsorbed at an aminophenol thiolate monolayer chemisorbed at gold; and the role of chemically modified surfaces in the construction of miniaturized analytical instrumentation.

  9. Neuropsychology: traditional and new methods of investigation.

    PubMed

    Lassonde, Maryse; Sauerwein, Hannelore C; Gallagher, Anne; Thriault, Martin; Lepore, Franco

    2006-01-01

    The neuropsychological assessment is an integral part of the clinical investigation of patients suffering from epilepsy. The aim of the evaluation is to determine disease-related and treatment-related effects on cognition and behavior in order to orient therapeutic interventions, by taking into account the compensatory mechanisms that are available to the patient. Examples of the tests best illustrating the classical neuropsychological protocol are presented. Neuropsychology also plays an important role in the assessment of language lateralization in patients slated for epilepsy surgery. Traditionally, this has been achieved by means of the rather invasive Wada procedure. However, with the advent of new neuroimaging techniques, this procedure is gradually being replaced by minimally invasive or noninvasive methods, such as functional magnetic resonance imaging, positron emission tomography, and optical imaging. In the present paper, we discuss some of the newer techniques that are available to the neuropsychologist for the study of the impact of epilepsy on cerebral functioning. PMID:17105452

  10. Apparatus and method for spectroscopic analysis of scattering media

    DOEpatents

    Strobl, Karlheinz (Los Angeles, CA); Bigio, Irving J. (Los Alamos, NM); Loree, Thomas R. (Santa Fe, NM)

    1994-01-01

    Apparatus and method for spectroscopic analysis of scattering media. Subtle differences in materials have been found to be detectable from plots of intensity as a function of wavelength of collected emitted and scattered light versus wavelength of excitation light.

  11. Whispering Gallery Optical Resonator Spectroscopic Probe and Method

    NASA Technical Reports Server (NTRS)

    Anderson, Mark S. (Inventor)

    2014-01-01

    Disclosed herein is a spectroscopic probe comprising at least one whispering gallery mode optical resonator disposed on a support, the whispering gallery mode optical resonator comprising a continuous outer surface having a cross section comprising a first diameter and a second diameter, wherein the first diameter is greater than the second diameter. A method of measuring a Raman spectrum and an Infra-red spectrum of an analyte using the spectroscopic probe is also disclosed.

  12. Further evaluation of traditional icing scaling methods

    NASA Technical Reports Server (NTRS)

    Anderson, David N.

    1996-01-01

    This report provides additional evaluations of two methods to scale icing test conditions; it also describes a hybrid technique for use when scaled conditions are outside the operating envelope of the test facility. The first evaluation is of the Olsen method which can be used to scale the liquid-water content in icing tests, and the second is the AEDC (Ruff) method which is used when the test model is less than full size. Equations for both scaling methods are presented in the paper, and the methods were evaluated by performing icing tests in the NASA Lewis Icing Research Tunnel (IRT). The Olsen method was tested using 53 cm diameter NACA 0012 airfoils. Tests covered liquid-water-contents which varied by as much as a factor of 1.8. The Olsen method was generally effective in giving scale ice shapes which matched the reference shapes for these tests. The AEDC method was tested with NACA 0012 airfoils with chords from 18 cm to 53 cm. The 53 cm chord airfoils were used in reference tests, and 1/2 and 1/3 scale tests were made at conditions determined by applying the AEDC scaling method. The scale and reference airspeeds were matched in these tests. The AEDC method was found to provide fairly effective scaling for 1/2 size tests, but for 1/3 size models, scaling was generally less effective. In addition to these two scaling methods, a hybrid approach was also tested in which the Olsen method was used to adjust the LWC after size was scaled using the constant Weber number method. This approach was found to be an effective way to test when scaled conditions would otherwise be outside the capability of the test facility.

  13. [Genotoxicity research thought and method on traditional Chinese medicine].

    PubMed

    Han, Jia-yin; Yi, Yan; Liang, Ai-hua; Zhang, Yu-shi; Li, Chun-ying; Zhao, Yong; Wang, Lian-mei; Li, Gui-qin

    2015-07-01

    Genotoxicity research takes an important place in traditional Chinese medicine safety evaluation. Genotoxicity test on traditional Chinese medicine has been paid great attention since 1970s. Currently, the most developed genotoxicity test methods included: bacterial reverse mutation test and mouse lymphoma assay which are used to detect relevant genetic changes, micronucleus test and chromosomal analysis which are used to measure chromosomal aberration, and single cell electrophoresis assay which is used to test DNA damage. This article reviews research progress on genotoxicity of traditional Chinese medicine, evaluation methods of genotoxicity, the problems and solutions on genotoxicity evaluation of traditional Chinese medicine, and new technique used in genotoxicity test. PMID:26666011

  14. Plasmonic nanostructures for surface enhanced spectroscopic methods.

    PubMed

    Jahn, Martin; Patze, Sophie; Hidi, Izabella J; Knipper, Richard; Radu, Andreea I; Mhlig, Anna; Yksel, Sezin; Peksa, Vlastimil; Weber, Karina; Mayerhfer, Thomas; Cialla-May, Dana; Popp, Jrgen

    2016-02-01

    A comprehensive review of theoretical approaches to simulate plasmonic-active metallic nano-arrangements is given. Further, various fabrication methods based on bottom-up, self-organization and top-down techniques are introduced. Here, analytical approaches are discussed to investigate the optical properties of isotropic and non-magnetic spherical or spheroidal particles. Furthermore, numerical methods are introduced to research complex shaped structures. A huge variety of fabrication methods are reviewed, e.g. bottom-up preparation strategies for plasmonic nanostructures to generate metal colloids and core-shell particles as well as complex-shaped structures, self-organization as well as template-based methods and finally, top-down processes, e.g. electron beam lithography and its variants as well as nanoimprinting. The review article is aimed at beginners in the field of surface enhanced spectroscopy (SES) techniques and readers who have a general interest in theoretical modelling of plasmonic substrates for SES applications as well as in the fabrication of the desired structures based on methods of the current state of the art. PMID:26759831

  15. Least squares methods of analyzing spectroscopic data

    NASA Technical Reports Server (NTRS)

    Shaw, J. H.

    1984-01-01

    The development of efficient techniques for extracting the maximum amount of information from the spectra of atmospheric molecules with a minimum of observer bias is discussed. In particular, an overview of the methods of line by line and whole band analysis is presented.

  16. Role of Optical Spectroscopic Methods in Neuro-Oncological Sciences

    PubMed Central

    Bahreini, Maryam

    2015-01-01

    In the surgical treatment of malignant tumors, it is crucial to characterize the tumor as precisely as possible. The determination of the exact tumor location as well as the analysis of its properties is very important in order to obtain an accurate diagnosis as early as possible. In neurosurgical applications, the optical, non-invasive and in situ techniques allow for the label-free analysis of tissue, which is helpful in neuropathology. In the past decades, optical spectroscopic methods have been investigated drastically in the management of cancer. In the optical spectroscopic techniques, tissue interrogate with sources of light which are ranged from the ultraviolet to the infrared wavelength in the spectrum. The information accumulation of light can be in a reflection which is named reflectance spectroscopy; or interactions with tissue at different wavelengths which are called fluorescence and Raman spectroscopy. This review paper introduces the optical spectroscopic methods which are used to characterize brain tumors (neuro-oncology). Based on biochemical information obtained from these spectroscopic methods, it is possible to identify tumor from normal brain tissues, to indicate tumor margins, the borders towards normal brain tissue and infiltrating gliomas, to distinguish radiation damage of tissues, to detect particular central nervous system (CNS) structures to identify cell types using particular neurotransmitters, to detect cells or drugs which are optically labeled within therapeutic intermediations and to estimate the viability of tissue and the prediction of apoptosis beginning in vitro and in vivo. The label-free, optical biochemical spectroscopic methods can provide clinically relevant information and need to be further exploited to develop a safe and easy-to-use technology for in situ diagnosis of malignant tumors. PMID:25987969

  17. Plant roots and spectroscopic methods analyzing species, biomass and vitality

    PubMed Central

    Rewald, Boris; Meinen, Catharina

    2013-01-01

    In order to understand plant functioning, plant community composition, and terrestrial biogeochemistry, it is decisive to study standing root biomass, (fine) root dynamics, and interactions belowground. While most plant taxa can be identified by visual criteria aboveground, roots show less distinctive features. Furthermore, root systems of neighboring plants are rarely spatially segregated; thus, most soil horizons and samples hold roots of more than one species necessitating root sorting according to taxa. In the last decades, various approaches, ranging from anatomical and morphological analyses to differences in chemical composition and DNA sequencing were applied to discern species identity and biomass belowground. Among those methods, a variety of spectroscopic methods was used to detect differences in the chemical composition of roots. In this review, spectroscopic methods used to study root systems of herbaceous and woody species in excised samples or in situ will be discussed. In detail, techniques will be reviewed according to their usability to discern root taxa, to determine root vitality, and to quantify root biomass non-destructively or in soil cores holding mixtures of plant roots. In addition, spectroscopic methods which may be able to play an increasing role in future studies on root biomass and related traits are highlighted. PMID:24130565

  18. A Novel Method for Pulsometry Based on Traditional Iranian Medicine

    PubMed Central

    Yousefipoor, Farzane; Nafisi, Vahidreza

    2015-01-01

    Arterial pulse measurement is one of the most important methods for evaluation of healthy conditions. In traditional Iranian medicine (TIM), physician may detect radial pulse by holding four fingers on the patient's wrist. By using this method, under standard condition, the detected pulses are subjective and erroneous, in case of weak and/or abnormal pulses, the ambiguity of diagnosis may rise. In this paper, we present an equipment which is designed and implemented for automation of traditional pulse detection method. By this novel system, the developed noninvasive diagnostic method and database based on the TIM are way forward to apply traditional medicine and diagnose patients with present technology. The accuracy for period measuring is 76% and systolic peak is 72%. PMID:26955566

  19. A Novel Method for Pulsometry Based on Traditional Iranian Medicine.

    PubMed

    Yousefipoor, Farzane; Nafisi, Vahidreza

    2015-01-01

    Arterial pulse measurement is one of the most important methods for evaluation of healthy conditions. In traditional Iranian medicine (TIM), physician may detect radial pulse by holding four fingers on the patient's wrist. By using this method, under standard condition, the detected pulses are subjective and erroneous, in case of weak and/or abnormal pulses, the ambiguity of diagnosis may rise. In this paper, we present an equipment which is designed and implemented for automation of traditional pulse detection method. By this novel system, the developed noninvasive diagnostic method and database based on the TIM are way forward to apply traditional medicine and diagnose patients with present technology. The accuracy for period measuring is 76% and systolic peak is 72%. PMID:26955566

  20. Scanning Tunneling Microscopy methods for spectroscopic imaging of subsurface interfaces

    NASA Technical Reports Server (NTRS)

    Bell, L. D.; Kaiser, W. J.

    1988-01-01

    A new method for spatially-resolved, spectroscopic investigation of subsurface interface structure has been developed. The method, Ballistic Electron Emission Microscopy (BEEM), is based on Scanning Tunneling Microscopy (STM) techniques. BEEM combines STM vacuum tunneling with unique ballistic electron spectroscopy capabilities. BEEM enables, for the first time, direct imaging of subsurface interface electronic properties with nanometer spatial resolution. STM topographic images of surface structure and BEEM images of subsurface properties are obtained simultaneously. BEEM capabilities are demonstrated by investigation of important metal-semiconductor interfaces.

  1. Advances in spectroscopic methods for quantifying soil carbon

    USGS Publications Warehouse

    Liebig, Mark; Franzluebbers, Alan J.; Follett, Ronald F.; Hively, W. Dean; Reeves, James B., III; McCarty, Gregory W.; Calderon, Francisco

    2012-01-01

    The gold standard for soil C determination is combustion. However, this method requires expensive consumables, is limited to the determination of the total carbon and in the number of samples which can be processed (~100/d). With increased interest in soil C sequestration, faster methods are needed. Thus, interest in methods based on diffuse reflectance spectroscopy in the visible, near-infrared or mid-infrared ranges using either proximal or remote sensing. These methods have the ability to analyze more samples (2 to 3X/d) or huge areas (imagery) and do multiple analytes simultaneously, but require calibrations relating spectral and reference data and have specific problems, i.e., remote sensing is capable of scanning entire watersheds, thus reducing the sampling needed, but is limiting to the surface layer of tilled soils and by difficulty in obtaining proper calibration reference values. The objective of this discussion is the present state of spectroscopic methods for soil C determination.

  2. Spectroscopic Methods of Remote Sensing for Vegetation Characterization

    NASA Astrophysics Data System (ADS)

    Kokaly, R. F.

    2013-12-01

    Imaging spectroscopy (IS), often referred to as hyperspectral remote sensing, is one of the latest innovations in a very long history of spectroscopy. Spectroscopic methods have been used for understanding the composition of the world around us, as well as, the solar system and distant parts of the universe. Continuous sampling of the electromagnetic spectrum in narrow bands is what separates IS from previous forms of remote sensing. Terrestrial imaging spectrometers often have hundreds of channels that cover the wavelength range of reflected solar radiation, including the visible, near-infrared (NIR), and shortwave infrared (SWIR) regions. In part due to the large number of channels, a wide variety of methods have been applied to extract information from IS data sets. These can be grouped into several broad classes, including: multi-channel indices, statistical procedures, full spectrum mixing models, and spectroscopic methods. Spectroscopic methods carry on the more than 150 year history of laboratory-based spectroscopy applied to material identification and characterization. Spectroscopic methods of IS relate the positions and shapes of spectral features resolved by airborne and spaceborne sensors to the biochemical and physical composition of vegetation in a pixel. The chlorophyll 680nm, water 980nm, water 1200nm, SWIR 1700nm, SWIR 2100nm, and SWIR 2300nm features have been the subject of study. Spectral feature analysis (SFA) involves isolating such an absorption feature using continuum removal (CR) and calculating descriptors of the feature, such as center position, depth, width, area, and asymmetry. SFA has been applied to quantify pigment and non-pigment biochemical concentrations in leaves, plants, and canopies. Spectral feature comparison (SFC) utilizes CR of features in each pixel's spectrum and linear regression with continuum-removed features in reference spectra in a library of known vegetation types to map vegetation species and communities. SFC has been applied to map the distributions of minerals in soils and rocks; however, its application to characterize vegetation cover has been less widespread than SFA. Using IS data and the USGS Processing Routines in IDL for Spectroscopic Measurements (PRISM; http://pubs.usgs.gov/of/2011/1155/), this talk will examine requirements for and limitations in applying SFA and SFC to characterize vegetation. A time series of Airborne Visible/InfraRed Imaging Spectrometer (AVIRIS) data collected in the marshes of Louisiana following the Deepwater Horizon oil spill will be used to examine the impact of varying leaf water content on the shapes of the SWIR 1700, 2100, and 2300 nm features and the implications of these changes on vegetation identification and biochemical estimation. The USGS collection of HyMap data over Afghanistan, the largest terrestrial coverage of IS data to date, will be used to demonstrate the characterization of vegetation in arid and semi-arid regions, in which chlorophyll absorption is often weak and soil and rock mineral absorption features overlap vegetation features. Hyperion data, overlapping the HyMap data, will be presented to illustrate the complications that arise when signal-to-noise is low. The benefits of and challenges to applying a spectroscopic remote sensing approach to imaging spectrometer data will be discussed.

  3. Student Attitudes to Traditional and Online Methods of Delivery

    ERIC Educational Resources Information Center

    Wong, Lily; Fong, Michelle

    2014-01-01

    Rapid developments in education technology have provided educators and students new options in a constantly changing, competitive teaching and learning environment. As the number of online teaching resources continue to increase, research into student attitudes toward traditional and online methods of delivery is important in order to determine

  4. Student Attitudes to Traditional and Online Methods of Delivery

    ERIC Educational Resources Information Center

    Wong, Lily; Fong, Michelle

    2014-01-01

    Rapid developments in education technology have provided educators and students new options in a constantly changing, competitive teaching and learning environment. As the number of online teaching resources continue to increase, research into student attitudes toward traditional and online methods of delivery is important in order to determine…

  5. Method of absorbance correction in a spectroscopic heating value sensor

    DOEpatents

    Saveliev, Alexei; Jangale, Vilas Vyankatrao; Zelepouga, Sergeui; Pratapas, John

    2013-09-17

    A method and apparatus for absorbance correction in a spectroscopic heating value sensor in which a reference light intensity measurement is made on a non-absorbing reference fluid, a light intensity measurement is made on a sample fluid, and a measured light absorbance of the sample fluid is determined. A corrective light intensity measurement at a non-absorbing wavelength of the sample fluid is made on the sample fluid from which an absorbance correction factor is determined. The absorbance correction factor is then applied to the measured light absorbance of the sample fluid to arrive at a true or accurate absorbance for the sample fluid.

  6. Can the electronegativity equalization method predict spectroscopic properties?

    PubMed

    Verstraelen, T; Bultinck, P

    2015-02-01

    The electronegativity equalization method is classically used as a method allowing the fast generation of atomic charges using a set of calibrated parameters and provided knowledge of the molecular structure. Recently, it has started being used for the calculation of other reactivity descriptors and for the development of polarizable and reactive force fields. For such applications, it is of interest to know whether the method, through the inclusion of the molecular geometry in the Taylor expansion of the energy, would also allow sufficiently accurate predictions of spectroscopic data. In this work, relevant quantities for IR spectroscopy are considered, namely the dipole derivatives and the Cartesian Hessian. Despite careful calibration of parameters for this specific task, it is shown that the current models yield insufficiently accurate results. PMID:24290357

  7. Extraction methods of natural products from Traditional Chinese medicines.

    PubMed

    Zhang, Jingyu; Han, Jianying; Oyeleye, Ayokunmi; Liu, Miaomiao; Liu, Xueting; Zhang, Lixin

    2015-01-01

    In recent years, many research activities have focused on Natural Products (NPs) derived from Traditional Chinese medicines (TCMs), thus making a renaissance in the drug discovery process of TCMs. Maximizing the diversity of extracts from those plants is the key for the chemical biology process. Methods for the preparation and pretreatment of plant extracts are very important for further purification and discovery of active compounds present in minor quantities. In this chapter, two methods of extraction, including one of the most broadly applicable method (solvent extraction) and one newly developed technique (supercritical fluid extraction), have been described in detail. PMID:25618345

  8. Advances in spectroscopic methods for quantifying soil carbon

    USGS Publications Warehouse

    Reeves, James B., III; McCarty, Gregory W.; Calderon, Francisco; Hively, W. Dean

    2012-01-01

    The current gold standard for soil carbon (C) determination is elemental C analysis using dry combustion. However, this method requires expensive consumables, is limited by the number of samples that can be processed (~100/d), and is restricted to the determination of total carbon. With increased interest in soil C sequestration, faster methods of analysis are needed, and there is growing interest in methods based on diffuse reflectance spectroscopy in the visible, near-infrared or mid-infrared spectral ranges. These spectral methods can decrease analytical requirements and speed sample processing, be applied to large landscape areas using remote sensing imagery, and be used to predict multiple analytes simultaneously. However, the methods require localized calibrations to establish the relationship between spectral data and reference analytical data, and also have additional, specific problems. For example, remote sensing is capable of scanning entire watersheds for soil carbon content but is limited to the surface layer of tilled soils and may require difficult and extensive field sampling to obtain proper localized calibration reference values. The objective of this chapter is to discuss the present state of spectroscopic methods for determination of soil carbon.

  9. Traditions and alcohol use: a mixed-methods analysis.

    PubMed

    Castro, Felipe Gonzlez; Coe, Kathryn

    2007-10-01

    An integrative mixed-methods analysis examined traditional beliefs as associated with beliefs about self-care during pregnancy and with alcohol abstinence among young adult women from two rural U.S.-Mexico border communities. Quantitative (measured scale) variables and qualitative thematic variables generated from open-ended responses served as within-time predictors of these health-related outcomes. A weaker belief that life is better in big cities was associated with stronger self-care beliefs during pregnancy. Also, a weaker belief that small towns offer tranquil environments was associated with total abstinence from alcohol. Regarding the Hispanic Paradox, these results suggest that a critical appreciation of cultural traditions can be protective, as this avoids stereotypical or idyllic views of urban or rural lifeways, and promotes self-protective beliefs and behaviors. PMID:17967095

  10. Traditions and Alcohol Use: A Mixed-Methods Analysis

    PubMed Central

    Castro, Felipe González; Coe, Kathryn

    2011-01-01

    An integrative mixed-methods analysis examined traditional beliefs as associated with beliefs about self-care during pregnancy and with alcohol abstinence among young adult women from two rural U.S.–Mexico border communities. Quantitative (measured scale) variables and qualitative thematic variables generated from open-ended responses served as within-time predictors of these health-related outcomes. A weaker belief that life is better in big cities was associated with stronger self-care beliefs during pregnancy. Also, a weaker belief that small towns offer tranquil environments was associated with total abstinence from alcohol. Regarding the Hispanic Paradox, these results suggest that a critical appreciation of cultural traditions can be protective, as this avoids stereotypical or idyllic views of urban or rural lifeways, and promotes self-protective beliefs and behaviors. PMID:17967095

  11. Handbook of charcoal making: the traditional and industrial methods

    SciTech Connect

    Emrich, W.

    1985-01-01

    The reviewer credits this handbook with expanding knowledge about the economic value of charcoal, particularly in the European area. The 10 chapters are: (1) history and fundamentals of the charcoal process, (2) traditional methods of the smallholder producer, (3) concepts and technology for the industrial producer, (4) recovering commercial products from pyrolysis oil, (5) raw materials supply, (6) end-use markets for by-products, (7) planning a charcoal venture, (8) charcoal briquettes and activated charcoal, (9) safety precautions and environmental considerations, and (10) charcoal laboratory work. Each chapter lists references. There are four appendices.

  12. Supervised and traditional term weighting methods for automatic text categorization.

    PubMed

    Lan, Man; Tan, Chew Lim; Su, Jian; Lu, Yue

    2009-04-01

    In vector space model (VSM), text representation is the task of transforming the content of a textual document into a vector in the term space so that the document could be recognized and classified by a computer or a classifier. Different terms (i.e. words, phrases, or any other indexing units used to identify the contents of a text) have different importance in a text. The term weighting methods assign appropriate weights to the terms to improve the performance of text categorization. In this study, we investigate several widely-used unsupervised (traditional) and supervised term weighting methods on benchmark data collections in combination with SVM and kappa NN algorithms. In consideration of the distribution of relevant documents in the collection, we propose a new simple supervised term weighting method, i.e. tf.rf, to improve the terms' discriminating power for text categorization task. From the controlled experimental results, these supervised term weighting methods have mixed performance. Specifically, our proposed supervised term weighting method, tf.rf, has a consistently better performance than other term weighting methods while other supervised term weighting methods based on information theory or statistical metric perform the worst in all experiments. On the other hand, the popularly used tf.idf method has not shown a uniformly good performance in terms of different data sets. PMID:19229086

  13. Improving traditional balancing methods for high-speed rotors

    SciTech Connect

    Ling, J.; Cao, Y.

    1996-01-01

    This paper introduces frequency response functions, analyzes the relationships between the frequency response functions and influence coefficients theoretically, and derives corresponding mathematical equations for high-speed rotor balancing. The relationships between the imbalance masses on the rotor and frequency response functions are also analyzed based upon the modal balancing method, and the equations related to the static and dynamic imbalance masses and the frequency response function are obtained. Experiments on a high-speed rotor balancing rig were performed to verify the theory, and the experimental data agree satisfactorily with the analytical solutions. The improvement on the traditional balancing method proposed in this paper will substantially reduce the number of rotor startups required during the balancing process of rotating machinery.

  14. Do new wipe materials outperform traditional lead dust cleaning methods?

    PubMed

    Lewis, Roger D; Ong, Kee Hean; Emo, Brett; Kennedy, Jason; Brown, Christopher A; Condoor, Sridhar; Thummalakunta, Laxmi

    2012-01-01

    Government guidelines have traditionally recommended the use of wet mopping, sponging, or vacuuming for removal of lead-contaminated dust from hard surfaces in homes. The emergence of new technologies, such as the electrostatic dry cloth and wet disposable clothes used on mopheads, for removal of dust provides an opportunity to evaluate their ability to remove lead compared with more established methods. The purpose of this study was to determine if relative differences exist between two new and two older methods for removal of lead-contaminated dust (LCD) from three wood surfaces that were characterized by different roughness or texture. Standard leaded dust, <75?m, was deposited by gravity onto the wood specimens. Specimens were cleaned using an automated device. Electrostatic dry cloths (dry Swiffer), wet Swiffer cloths, paper shop towels with non-ionic detergent, and vacuuming were used for cleaning LCD from the specimens. Lead analysis was by anodic stripping voltammetry. After the cleaning study was conducted, a study of the coefficient of friction was performed for each wipe material. Analysis of variance was used to evaluate the surface and cleaning methods. There were significant interactions between cleaning method and surface types, p = 0.007. Cleaning method was found be a significant factor in removal of lead, p <0.001, indicating that effectiveness of each cleaning methods is different. However, cleaning was not affected by types of surfaces. The coefficient of friction, significantly different among the three wipes, is likely to influence the cleaning action. Cleaning method appears to be more important than texture in LCD removal from hard surfaces. There are some small but important factors in cleaning LCD from hard surfaces, including the limits of a Swiffer mop to conform to curved surfaces and the efficiency of the wetted shop towel and vacuuming for cleaning all surface textures. The mean percentage reduction in lead dust achieved by the traditional methods (vacuuming and wet wiping) was greater and more consistent compared to the new methods (electrostatic dry cloth and wet Swiffer mop). Vacuuming and wet wiping achieved lead reductions of 92% 4% and 91%, 4%, respectively, while the electrostatic dry cloth and wet Swiffer mops achieved lead reductions of only 89 8% and 81 17%, respectively. PMID:22746281

  15. Methods for Raman spectroscopic imaging of biological systems

    NASA Astrophysics Data System (ADS)

    Barnett, Steven M.; Carrabba, Michael M.; Bormett, Richard W.; Whitley, Andrew

    1999-04-01

    Imaging methodologies present some of the most exciting new frontiers in the biological and medical sciences. Raman spectroscopic imaging combines the power of chemical imaging with the spatial resolution for translating microscopic spectroscopic information into statements relevant to biological and medical function. Imaging results will be presented using mapping, dielectric filters, and liquid- crystalline tunable filters at different excitation wavelengths for selectively determining the spatial distribution of biomaterials in a variety of biological systems.

  16. Monitoring, Controlling and Safeguarding Radiochemical Streams at Spent Fuel Reprocessing Facilities, Part 1: Optical Spectroscopic Methods

    SciTech Connect

    Bryan, Samuel A.; Levitskaia, Tatiana G.; Schwantes, Jon M.; Orton, Christopher R.; Peterson, James M.; Casella, Amanda J.

    2012-02-07

    Abstract: The International Atomic Energy Agency (IAEA) has established international safeguards standards for fissionable material at spent fuel reprocessing plants to ensure that significant quantities of weapons-useable nuclear material are not diverted from these facilities. For large throughput nuclear facilities, it is difficult to satisfy the IAEA safeguards accountancy goal for detection of abrupt diversion. Currently, methods to verify material control and accountancy (MC&A) at these facilities require time-consuming and resource-intensive destructive assay (DA). Leveraging new on-line non-destructive assay (NDA) process monitoring techniques in conjunction with the traditional and highly precise DA methods may provide an additional measure to nuclear material accountancy which would potentially result in a more timely, cost-effective and resource efficient means for safeguards verification at such facilities. By monitoring process control measurements (e.g. flowrates, temperatures, or concentrations of reagents, products or wastes), abnormal plant operations can be detected. Pacific Northwest National Laboratory (PNNL) is developing on-line NDA process monitoring technologies based upon gamma-ray and optical spectroscopic measurements to potentially reduce the time and resource burden associated with current techniques. The Multi-Isotope Process (MIP) Monitor uses gamma spectroscopy and multivariate analysis to identify off-normal conditions in process streams. The spectroscopic monitor continuously measures chemical compositions of the process streams including actinide metal ions (U, Pu, Np), selected fission products, and major stable flowsheet reagents using UV-Vis, Near IR and Raman spectroscopy. Multi-variate analysis is also applied to the optical measurements in order to quantify concentrations of analytes of interest within a complex array of radiochemical streams. This paper will provide an overview of these methods and reports on-going efforts to develop and demonstrate the technologies. This paper is Part 1 of a two part series, and focuses on the optical spectroscopy based process monitoring methods.

  17. Computation of Spectroscopic Factors with the Coupled-Cluster Method

    SciTech Connect

    Jensen, O.; Hagen, Gaute; Papenbrock, T.; Dean, David Jarvis; Vaagen, J. S.

    2010-01-01

    We present a calculation of spectroscopic factors within coupled-cluster theory. Our derivation of algebraic equations for the one-body overlap functions are based on coupled-cluster equation-of-motion solutions for the ground and excited states of the doubly magic nucleus with mass number A and the odd-mass neighbor with mass A-1. As a proof-of-principle calculation, we consider ^{16}O and the odd neighbors ^{15}O and ^{15}N, and compute the spectroscopic factor for nucleon removal from ^{16}O. We employ a renormalized low-momentum interaction of the V_{low-k} type derived from a chiral interaction at next-to-next-to-next-to-leading order. We study the sensitivity of our results by variation of the momentum cutoff, and then discuss the treatment of the center of mass.

  18. Does DFT-SAPT method provide spectroscopic accuracy?

    SciTech Connect

    Shirkov, Leonid; Makarewicz, Jan

    2015-02-14

    Ground state potential energy curves for homonuclear and heteronuclear dimers consisting of noble gas atoms from He to Kr were calculated within the symmetry adapted perturbation theory based on the density functional theory (DFT-SAPT). These potentials together with spectroscopic data derived from them were compared to previous high-precision coupled cluster with singles and doubles including the connected triples theory calculations (or better if available) as well as to experimental data used as the benchmark. The impact of midbond functions on DFT-SAPT results was tested to study the convergence of the interaction energies. It was shown that, for most of the complexes, DFT-SAPT potential calculated at the complete basis set (CBS) limit is lower than the corresponding benchmark potential in the region near its minimum and hence, spectroscopic accuracy cannot be achieved. The influence of the residual term δ(HF) on the interaction energy was also studied. As a result, we have found that this term improves the agreement with the benchmark in the repulsive region for the dimers considered, but leads to even larger overestimation of potential depth D{sub e}. Although the standard hybrid exchange-correlation (xc) functionals with asymptotic correction within the second order DFT-SAPT do not provide the spectroscopic accuracy at the CBS limit, it is possible to adjust empirically basis sets yielding highly accurate results.

  19. An empirical evaluation of three vibrational spectroscopic methods for detection of aflatoxins in maize.

    PubMed

    Lee, Kyung-Min; Davis, Jessica; Herrman, Timothy J; Murray, Seth C; Deng, Youjun

    2015-04-15

    Three commercially available vibrational spectroscopic techniques, including Raman, Fourier transform near infrared reflectance (FT-NIR), and Fourier transform infrared (FTIR) were evaluated to help users determine the spectroscopic method best suitable for aflatoxin analysis in maize (Zea mays L.) grain based on their relative efficiency and predictive ability. Spectral differences of Raman and FTIR spectra were more marked and pronounced among aflatoxin contamination groups than those of FT-NIR spectra. From the observations and findings in our current and previous studies, Raman and FTIR spectroscopic methods are superior to FT-NIR method in terms of predictive power and model performance for aflatoxin analysis and they are equally effective and accurate in predicting aflatoxin concentration in maize. The present study is considered as the first attempt to assess how spectroscopic techniques with different physical processes can influence and improve accuracy and reliability for rapid screening of aflatoxin contaminated maize samples. PMID:25466069

  20. Comparison of the characterization on binding of alpinetin and cardamonin to lysozyme by spectroscopic methods.

    PubMed

    He, Wenying; Li, Ying; Tang, Jianghong; Luan, Feng; Jin, Jing; Hu, Zhide

    2006-11-15

    Studies on the binding affinity of protein to the active components of herbs are novel in biochemistry and are valuable for the information about speciation of drugs and exchange in biological systems. Alpinetin and cardamonin, two of the main constituents from the seeds of Alpinia katsumadai Hayata, have been used in traditional herbs as antibacterial, anti-inflammatory, and other important therapeutic activities of significant potency and low systemic toxicity. The interactions between two flavonoids analogs and lysozyme have been studied for the first time by spectroscopic method including Fourier transform infrared (FT-IR) spectroscopy, circular dichroism (CD) and UV-absorption spectroscopy in combination with Fluorescence quenching study. Both molecules showed high affinities to lysozyme under the experimental condition with drug concentrations from 3.33 x 10(-6) to 2.67 x 10(-5)molL(-1) for alpinetin and 1.67 x 10(-6) to 13.33 x 10(-6)molL(-1) for cardamonin. The alterations of protein secondary structure in the presence of drugs in aqueous solution were quantitatively estimated by the evidences from CD and FT-IR spectroscopy. The thermodynamic parameters obtained and the results of spectroscopic measurements suggest that hydrophobic and electrostatic interactions are the predominant intermolecular forces stabilizing two coordination compounds. The quenching mechanism and the number of binding site (n approximately 1) were obtained by fluorescence titration data. The efficiency of energy transfer provided the binding distances of 4.04 and 5.90 nm for alpinetin-LYSO and cardamonin-LYSO systems, respectively. PMID:16828496

  1. African Traditional Education: A Method of Dissseminating Cultural Values.

    ERIC Educational Resources Information Center

    Boateng, Felix

    1983-01-01

    Describes how the philosophical foundations of traditional African education, including oral literature, secret societies and other religious practices, served as a vehicle for intergenerational communication. Warns educational planners in contemporary Africa that a rejection of African heritage will create confusion, loss of identity, and a break

  2. Traditional Healing Methods with First Nations Women in Group Counselling.

    ERIC Educational Resources Information Center

    Heilbron, Carrie L.; Guttman, Mary Alice Julius

    2000-01-01

    Utilizes a traditional aboriginal healing ceremony, called the healing circle, in a counseling group comprised of First Nations and non-aboriginal women survivors of child sexual abuse. Examines ceremony and aboriginal beliefs for their impact on the counseling process. Results indicate that the ceremony and beliefs established a spiritual

  3. Feminist Policy Analysis: Expanding Traditional Social Work Methods

    ERIC Educational Resources Information Center

    Kanenberg, Heather

    2013-01-01

    In an effort to move the methodology of policy analysis beyond the traditional and artificial position of being objective and value-free, this article is a call to those working and teaching in social work to consider a feminist policy analysis lens. A review of standard policy analysis models is presented alongside feminist models. Such a

  4. Feminist Policy Analysis: Expanding Traditional Social Work Methods

    ERIC Educational Resources Information Center

    Kanenberg, Heather

    2013-01-01

    In an effort to move the methodology of policy analysis beyond the traditional and artificial position of being objective and value-free, this article is a call to those working and teaching in social work to consider a feminist policy analysis lens. A review of standard policy analysis models is presented alongside feminist models. Such a…

  5. Non-Deterministic, Non-Traditional Methods (NDNTM)

    NASA Technical Reports Server (NTRS)

    Cruse, Thomas A.; Chamis, Christos C. (Technical Monitor)

    2001-01-01

    The review effort identified research opportunities related to the use of nondeterministic, nontraditional methods to support aerospace design. The scope of the study was restricted to structural design rather than other areas such as control system design. Thus, the observations and conclusions are limited by that scope. The review identified a number of key results. The results include the potential for NASA/AF collaboration in the area of a design environment for advanced space access vehicles. The following key points set the context and delineate the key results. The Principal Investigator's (PI's) context for this study derived from participation as a Panel Member in the Air Force Scientific Advisory Board (AF/SAB) Summer Study Panel on 'Whither Hypersonics?' A key message from the Summer Study effort was a perceived need for a national program for a space access vehicle whose operating characteristics of cost, availability, deployability, and reliability most closely match the NASA 3rd Generation Reusable Launch Vehicle (RLV). The Panel urged the AF to make a significant joint commitment to such a program just as soon as the AF defined specific requirements for space access consistent with the AF Aerospace Vision 2020. The review brought home a concurrent need for a national vehicle design environment. Engineering design system technology is at a time point from which a revolution as significant as that brought about by the finite element method is possible, this one focusing on information integration on a scale that far surpasses current design environments. The study therefore fully supported the concept, if not some of the details of the Intelligent Synthesis Environment (ISE). It became abundantly clear during this study that the government (AF, NASA) and industry are not moving in the same direction in this regard, in fact each is moving in its own direction. NASA/ISE is not yet in an effective leadership position in this regard. However, NASA does have complementary software interoperability efforts that should be a part of any major ISE program. Software standards that assure interoperability of data systems and modeling representations are enabling for the proposed research advocated herein and should be a major element in the ISE initiative. The international standard for data interchange is known by the acronym 'STEP.' The NASA participation and lead for that effort is at the Goddard Space Flight Center. NASA/GRC is leading an effort to define CAD geometry standards through the Object Management Group (OMG). To enable the design environment so necessary to the above national vision for a unique space vehicle will require an integrating software environment with interoperability standards that allow the development and widespread deployment of tools and toolsets, rather than traditional "shrink-wrapped" software used by engineers today.

  6. The Young Solar Analogs Project. I. Spectroscopic and Photometric Methods and Multi-year Timescale Spectroscopic Results

    NASA Astrophysics Data System (ADS)

    Gray, R. O.; Saken, J. M.; Corbally, C. J.; Briley, M. M.; Lambert, R. A.; Fuller, V. A.; Newsome, I. M.; Seeds, M. F.; Kahvaz, Y.

    2015-12-01

    This is the first in a series of papers presenting methods and results from the Young Solar Analogs Project, which began in 2007. This project monitors both spectroscopically and photometrically a set of 31 young (300-1500 Myr) solar-type stars with the goal of gaining insight into the space environment of the Earth during the period when life first appeared. From our spectroscopic observations we derive the Mount Wilson S chromospheric activity index (SMW), and describe the method we use to transform our instrumental indices to SMW without the need for a color term. We introduce three photospheric indices based on strong absorption features in the blue-violet spectrum—the G-band, the Ca i resonance line, and the Hydrogen-γ line—with the expectation that these indices might prove to be useful in detecting variations in the surface temperatures of active solar-type stars. We also describe our photometric program, and in particular our "Superstar technique" for differential photometry which, instead of relying on a handful of comparison stars, uses the photon flux in the entire star field in the CCD image to derive the program star magnitude. This enables photometric errors on the order of 0.005-0.007 magnitude. We present time series plots of our spectroscopic data for all four indices, and carry out extensive statistical tests on those time series demonstrating the reality of variations on timescales of years in all four indices. We also statistically test for and discover correlations and anti-correlations between the four indices. We discuss the physical basis of those correlations. As it turns out, the "photospheric" indices appear to be most strongly affected by emission in the Paschen continuum. We thus anticipate that these indices may prove to be useful proxies for monitoring emission in the ultraviolet Balmer continuum. Future papers in this series will discuss variability of the program stars on medium (days-months) and short (minutes to hours) timescales.

  7. A Comparison of the Kernel Equating Method with Traditional Equating Methods Using SAT[R] Data

    ERIC Educational Resources Information Center

    Liu, Jinghua; Low, Albert C.

    2008-01-01

    This study applied kernel equating (KE) in two scenarios: equating to a very similar population and equating to a very different population, referred to as a distant population, using SAT[R] data. The KE results were compared to the results obtained from analogous traditional equating methods in both scenarios. The results indicate that KE results

  8. Molecular Methods for Identification of Microorganisms in Traditional Meat Products

    NASA Astrophysics Data System (ADS)

    Cocolin, Luca; Dolci, Paola; Rantsiou, Kalliopi

    Traditional fermentations are those that have been used for centuries and even pre-date written historical records. Fermentation processes have been developed to upgrade plant and animal materials, to yield a more acceptable food, to add flavor, to prevent the growth of pathogenic and spoilage microorganisms, and to preserve food without refrigeration (Hesseltine & Wang, 1980). Among fermented foods, sausages are the meat products with a longer history and tradition. It is often assumed that sausages were invented by the Sumerians, in what is Iraq today, around 3000 BC. Chinese sausage lchng, which consisted of goat and lamb meat, was first mentioned in 589 BC. Homer, the poet of The Ancient Greece, mentioned a kind of blood sausage in the Odyssey (book 20, verse 25), and Epicharmus (ca. 550 BC-ca. 460 BC) wrote a comedy entitled The Sausage.

  9. Traditional methods in management of diarrhoeal diseases in Uganda.

    PubMed Central

    Anokbonggo, W. W.; Odoi-Adome, R.; Oluju, P. M.

    1990-01-01

    A total of 292 traditional healers were interviewed in five districts of Uganda to discover how diarrhoeal diseases were treated by them. At least two healers were present in every village visited, and over 42% of their case-load was concerned with diarrhoeal treatment. The investigation showed that a great variety of herbs/plants are used by traditional healers in the treatment of diarrhoeal diseases. All those interviewed used water as the main vehicle for their herbal preparations, the amount prescribed daily ranging from 20 ml to over 100 ml for children (in the case of 54.5% of healers) and 100 ml to over 500 ml for adults (56.6%); 26.4% of healers considered fluid supplements as mandatory and 70.5% advised patients to take as much fluid as possible. Only 3.1% of healers either limited or did not advise fluid intake. These findings indicate that traditional healers could play an important role in interventions to control diarrhoeal diseases using modern oral rehydration therapy if they are assisted to improve their techniques. PMID:2393983

  10. Improvement in the traditional processing method and nutritional quality of traditional extruded cassava-based snack (modified Ajogun).

    PubMed

    Obadina, Adewale O; Oyewole, Olusola B; Williams, Oluwasolabomi E

    2013-07-01

    This study was carried out to investigate and improve the traditional processing method and nutritional quality of the traditional cassava snack (Ajogun). Cassava root (Manihot esculenta Crantz L.) of TME 419 variety was processed into mash (40% moisture content). The cassava mash was mixed into different blends to produce fried traditional "Ajogun", fried and baked extrudates (modified Ajogun) as snacks. These products were analyzed to determine the proximate composition including carbohydrate, fat, protein, fiber, ash, and moisture contents and functional properties such as bulk density. The results obtained for the moisture, fat, protein, and ash contents showed significant difference (P < 0.05) between the control sample and the extrudates. However, there was no significant difference (P > 0.05) in the carbohydrate and fiber contents between the three samples. There was no significant difference (P > 0.05) in the bulk density of the snacks. Also, sensory evaluation was carried out on the cassava-based snacks using the 9-point hedonic scale to determine the degree of acceptability. Results obtained showed significant difference (P < 0.05) between the extrudates and control sample in terms of appearance, taste, flavor, color, aroma, texture, and overall acceptability. The highest acceptability level of the product was at 8.04 for the control sample (traditional Ajogun). This study has shown that "Ajogun", which is a lesser known cassava product, is rich in protein and fat. PMID:24804039

  11. Improvement in the traditional processing method and nutritional quality of traditional extruded cassava-based snack (modified Ajogun)

    PubMed Central

    Obadina, Adewale O; Oyewole, Olusola B; Williams, Oluwasolabomi E

    2013-01-01

    This study was carried out to investigate and improve the traditional processing method and nutritional quality of the traditional cassava snack (Ajogun). Cassava root (Manihot esculenta Crantz L.) of TME 419 variety was processed into mash (40% moisture content). The cassava mash was mixed into different blends to produce fried traditional “Ajogun”, fried and baked extrudates (modified Ajogun) as snacks. These products were analyzed to determine the proximate composition including carbohydrate, fat, protein, fiber, ash, and moisture contents and functional properties such as bulk density. The results obtained for the moisture, fat, protein, and ash contents showed significant difference (P < 0.05) between the control sample and the extrudates. However, there was no significant difference (P > 0.05) in the carbohydrate and fiber contents between the three samples. There was no significant difference (P > 0.05) in the bulk density of the snacks. Also, sensory evaluation was carried out on the cassava-based snacks using the 9-point hedonic scale to determine the degree of acceptability. Results obtained showed significant difference (P < 0.05) between the extrudates and control sample in terms of appearance, taste, flavor, color, aroma, texture, and overall acceptability. The highest acceptability level of the product was at 8.04 for the control sample (traditional Ajogun). This study has shown that “Ajogun”, which is a lesser known cassava product, is rich in protein and fat. PMID:24804039

  12. Traditional Ground Stroke Versus Volley Method of Teaching Beginning Tennis

    ERIC Educational Resources Information Center

    Burrus-Bammel, Lei Lane

    1976-01-01

    A study of college women in beginning tennis classes indicated that students instructed by the volley method of teaching tennis improved significantly over those instructed by the ground stroke method, particularly in their forehand drives. (JD)

  13. Adapting Traditions: Teaching Research Methods in a Large Class Setting

    ERIC Educational Resources Information Center

    Crull, Sue R.; Collins, Susan M.

    2004-01-01

    Social scientists, particularly sociologists, seem to place great value in small classes and group projects, especially in teaching research methods. However, in the authors' department, the sophomore-level research methods class ranges from 70 to 105 students, which would result in 14 to 21 small groups for one instructor to supervise without a

  14. Spectroscopically Enhanced Method and System for Multi-Factor Biometric Authentication

    NASA Astrophysics Data System (ADS)

    Pishva, Davar

    This paper proposes a spectroscopic method and system for preventing spoofing of biometric authentication. One of its focus is to enhance biometrics authentication with a spectroscopic method in a multifactor manner such that a person's unique ‘spectral signatures’ or ‘spectral factors’ are recorded and compared in addition to a non-spectroscopic biometric signature to reduce the likelihood of imposter getting authenticated. By using the ‘spectral factors’ extracted from reflectance spectra of real fingers and employing cluster analysis, it shows how the authentic fingerprint image presented by a real finger can be distinguished from an authentic fingerprint image embossed on an artificial finger, or molded on a fingertip cover worn by an imposter. This paper also shows how to augment two widely used biometrics systems (fingerprint and iris recognition devices) with spectral biometrics capabilities in a practical manner and without creating much overhead or inconveniencing their users.

  15. [Essential procedure and key methods for survey of traditional knowledge related to Chinese materia medica resources].

    PubMed

    Cheng, Gong; Huang, Lu-qi; Xue, Da-yuan; Zhang, Xiao-bo

    2014-12-01

    The survey of traditional knowledge related to Chinese materia medica resources is the important component and one of the innovative aspects of the fourth national survey of the Chinese materia medica resources. China has rich traditional knowledge of traditional Chinese medicine (TCM) and the comprehensive investigation of TCM traditional knowledge aims to promote conservation and sustainable use of Chinese materia medica resources. Building upon the field work of pilot investigations, this paper introduces the essential procedures and key methods for conducting the survey of traditional knowledge related to Chinese materia medica resources. The essential procedures are as follows. First is the preparation phrase. It is important to review all relevant literature and provide training to the survey teams so that they have clear understanding of the concept of traditional knowledge and master key survey methods. Second is the field investigation phrase. When conducting field investigations, survey teams should identify the traditional knowledge holders by using the 'snowball method', record the traditional knowledge after obtaining prior informed concerned from the traditional knowledge holders. Researchers should fill out the survey forms provided by the Technical Specification of the Fourth National Survey of Chinese Materia Medica Resources. Researchers should pay particular attention to the scope of traditional knowledge and the method of inheriting the knowledge, which are the key information for traditional knowledge holders and potential users to reach mutual agreed terms to achieve benefit sharing. Third is the data compilation and analysis phrase. Researchers should try to compile and edit the TCM traditional knowledge in accordance with intellectual property rights requirements so that the information collected through the national survey can serve as the basic data for the TCM traditional knowledge database. The key methods of the survey include regional division of Chinese materia medica resources, interview of key information holders and standardization of information.' In particular, using "snowball method" can effectively identify traditional knowledge holder in the targeted regions and ensuring traditional knowledge holders receiving prior informed concerned before sharing the information with researcher to make sure the rights of traditional knowledge holders are protected. Employing right survey methods is not only the key to obtain traditional knowledge related to Chinese materia medica resources, but also the pathway to fulfill the objectives of access and benefit sharing stipulated in Convention on Biological Resources. It will promote the legal protection of TCM traditional knowledge and conservation of TCM intangible, cultural heritage. PMID:25898568

  16. Blasting vibrations control: The shortcomings of traditional methods

    SciTech Connect

    Vuillaume, P.M.; Kiszlo, M.; Bernard, T.

    1996-12-31

    In the context of its studies for the French ministry of the environment and for the French national coal board, INERIS (the French institute for the industrial environment and hazards, formerly CERCHAR) has made a complete critical survey of the methods generally used to reduce the levels of blasting vibrations. It is generally acknowledged that the main parameter to control vibrations is the so-called instantaneous charge, or charge per delay. This should be reduced as much as possible in order to diminish vibration levels. On account of this, the use of a new generation of blasting devices, such as non-electric detonators or electronic sequential timers has been developed since the seventies. INERIS has collected data from about 900 blasts in 2 quarries and 3 open pit mines. These data include input parameters such as borehole diameter, burden, spacing, charge per hole, charge per delay, total fired charge, etc ... They also include output measurements, such as vibration peak particle velocities, and main frequencies. These data have been analyzed with the help of multi variable statistical tools. Blasting tests were undertaken to evaluate new methods of vibrations control, such as the superposition of vibration signals. These methods appear to be accurate in many critical cases, but certainly would be highly improved with a better accuracy of firing delays. The development of electronic detonators seems to be the way of the future for a better blasting control.

  17. A combustion facility for high-pressure flame studies by spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Carter, Campbell D.; King, Galen B.; Laurendeau, Normand M.

    1989-08-01

    We have developed a high-pressure combustion facility that includes the following: (1) a pressure vessel constructed from standard stainless-steel piping components; (2) an internal x-y burner translation system employing inexpensive stepper motors and translation mechanisms; (3) two flat-flame burners; and (4) an electronic gas delivery system, which is interfaced to a microcomputer. The facility is designed for study of high-pressure flames by spectroscopic methods and should also aid in the development of spectroscopic tools for high-pressure combustion environments.

  18. Interrater Reliability of Diagnostic Methods in Traditional Indian Ayurvedic Medicine

    PubMed Central

    Bilgrau, Anders Ellern; Toft, Egon; Prasad, Ramjee

    2013-01-01

    This study assesses the interrater reliability of Ayurvedic pulse (nadi), tongue (jivha), and body constitution (prakriti) assessments. Fifteen registered Ayurvedic doctors with 315 years of experience independently examined twenty healthy subjects. Subjects completed self-assessment questionnaires and software analyses for prakriti assessment. Weighted kappa statistics for all 105 pairs of doctors were computed for the pulse, tongue, and prakriti data sets. According to the Landis-Koch scale, the pairwise kappas ranged from poor to slight, slight to fair, and fair to moderate for pulse, tongue, and prakriti assessments, respectively. The average pairwise kappa for pulse, tongue, and prakriti was 0.07, 0.17, and 0.28, respectively. For each data set and pair of doctors, the null hypothesis of random rating was rejected for just twelve pairs of doctors for prakriti, one pair of doctors for pulse examination, and no pairs of doctors for tongue assessment. Thus, the results demonstrate a low level of reliability for all types of assessment made by doctors. There was significant evidence against random rating by software and questionnaire use and by the diagnosis preferred by the majority of doctors. Prakriti assessment appears reliable when questionnaire and software assessment are used, while other diagnostic methods have room for improvement. PMID:24191170

  19. Traditional methods used for controlling animal diseases in Iran.

    PubMed

    Tadjbakhsh, H

    1994-06-01

    In ancient times in Iran, infectious diseases of animals and human beings were referred to as choleraic diseases. Rhazes (9th century), followed by Avicenna (10th century), Jorjani (11th century) and others, had specific opinions on the cause and effect relationship in these diseases, which recall the fermentation theory of Louis Pasteur. In ancient Iran, the methods adopted for veterinary procedures were those of general theoretical and practical medicine, including the humoral theory, accurate diagnosis, signs and symptoms, and the prescription of herbal and mineral medicines or substances of animal origin. If herbal treatment failed, cauterisation and surgery were used. When refractory and contagious infectious diseases occurred, animals were evacuated from the infected region, in order to preserve their health, with resort to the mercy of Allah (God) as a final remedy. Iranian scientists of ancient times had interesting views on rabies. A kind of serotherapy was used for treating persons bitten by rabid dogs. Vaccination was performed many centuries ago by using dried smallpox lesions. In Baluchistan (Iran), infants were encouraged to play with and touch the teats of cows affected with cowpox, in order to immunise the children against smallpox, and this was centuries before the discovery of smallpox vaccine by Edward Jenner. Camelpox was also used for human immunisation. In the case of caprine pleuropneumonia, an extract or juice was obtained from the lungs of affected animals and was inactivated by treatment with certain herbal medicines which had a disinfectant effect. A thread coated with this extract was passed through the ear of healthy goats to render them immune. The author lists various diseases and their treatment. This work forms part of detailed research by the author with reference to some 2,200 books and many ancient manuscripts on the history of veterinary science in Iran. PMID:8038455

  20. Determination of nitrous oxide concentrations by spectroscopic method

    NASA Astrophysics Data System (ADS)

    Mirzoeva, Larissa A.; Kiseleva, Margarete S.; Sinelnikova, Galina E.

    1990-08-01

    In the proposed paper an empirical method has been developed for determination of nitrous oxide concentration using the absorption band 2'), in proximity of), 3.87J4m, free from overlapping with absorption bands from other atmospheric gases. The transmission spectra of the atmospheric air are recorded with unresolved rotation-vibration structure. The method is inexpensive, simple and efficient It may be used for determination of enviromental pollution in homogeneous media (laboratory or production plant conditions, ground layer of atmosphere) and of unhomogeneous composistion mixtures when studying the contents of nitrous oxide along slope paths in troposphere and stratosphere.

  1. Thai traditional massage: efficiency-assessment of three traditional massage methods on office workers: an explorative study.

    PubMed

    Yoopat, Pongjan; Maes, Christophe; Poriau, Stefaan; Vanwonterghem, Kamiel

    2015-04-01

    Thai Traditional Massage (TTM) is popular and widely spread in Thailand. This project is aimed at studying the physiological efficiency of three popular TTM methods based on acupressure Meridian basal lines: the Sen Sib(SS) ten lines, Ratchsamnak (RS), Royal style; and Chaloeysak (CS), Folk style. Thirty healthy female administrative employees participated as patients. All were treated for 30 min with the 3 types of massage with a two-week interval between each treatment. Muscle strain was objectified by measuring strength and endurance with surface electromyography of muscle put under stress during office work: the M. Trapezius (static postural load) and the wrist muscles (M. flexors & extensors Carpi-Radialis) (dynamic contractions) as well as measuring the subjective Visual Analogue Scale (VAS) before and after the sessions. An ANOVA-statistical analysis showed that strength in shoulders was not significantly different, but some forearm fatigue was decreased significantly among the three massage techniques. PMID:25892379

  2. Advances of vibrational spectroscopic methods in phytomics and bioanalysis.

    PubMed

    Huck, Christian W

    2014-01-01

    During the last couple of years great advances in vibrational spectroscopy including near-infrared (NIR), mid-infrared (MIR), attenuated total reflection (ATR) and imaging and also mapping techniques could be achieved. On the other hand spectral treatment features have improved dramatically allowing filtering out relevant information from spectral data much more efficiently and providing new insights into the biochemical composition. These advances offer new possible quality control strategies in phytomics and enable to get deeper insights into biochemical background in terms of medicinal relevant questions. It is the aim of the present article pointing out the technical and methodological advancements in the NIR and MIR field and to demonstrate the individual methods efficiency by discussing distinct selected applications. PMID:23787354

  3. Ghanaian cocoa bean fermentation characterized by spectroscopic and chromatographic methods and chemometrics.

    PubMed

    Aculey, Patrick C; Snitkjaer, Pia; Owusu, Margaret; Bassompiere, Marc; Takrama, Jemmy; Nørgaard, Lars; Petersen, Mikael A; Nielsen, Dennis S

    2010-08-01

    Export of cocoa beans is of great economic importance in Ghana and several other tropical countries. Raw cocoa has an astringent, unpleasant taste, and flavor, and has to be fermented, dried, and roasted to obtain the characteristic cocoa flavor and taste. In an attempt to obtain a deeper understanding of the changes in the cocoa beans during fermentation and investigate the possibility of future development of objective methods for assessing the degree of fermentation, a novel combination of methods including cut test, colorimetry, fluorescence spectroscopy, NIR spectroscopy, and GC-MS evaluated by chemometric methods was used to examine cocoa beans sampled at different durations of fermentation and samples representing fully fermented and dried beans from all cocoa growing regions of Ghana. Using colorimetry it was found that samples moved towards higher a* and b* values as fermentation progressed. Furthermore, the degree of fermentation could, in general, be well described by the spectroscopic methods used. In addition, it was possible to link analysis of volatile compounds with predictions of fermentation time. Fermented and dried cocoa beans from the Volta and the Western regions clustered separately in the score plots based on colorimetric, fluorescence, NIR, and GC-MS indicating regional differences in the composition of Ghanaian cocoa beans. The study demonstrates the potential of colorimetry and spectroscopic methods as valuable tools for determining the fermentation degree of cocoa beans. Using GC-MS it was possible to demonstrate the formation of several important aroma compounds such 2-phenylethyl acetate, propionic acid, and acetoin and the breakdown of others like diacetyl during fermentation. Practical Application: The present study demonstrates the potential of using colorimetry and spectroscopic methods as objective methods for determining cocoa bean quality along the processing chain. Development of objective methods for determining cocoa bean quality will be of great importance for quality insurance within the fields of cocoa processing and raw material control in chocolate producing companies. PMID:20722952

  4. Application of Spectroscopic Methods for Structural Analysis of Chitin and Chitosan

    PubMed Central

    Kumirska, Jolanta; Czerwicka, Małgorzata; Kaczyński, Zbigniew; Bychowska, Anna; Brzozowski, Krzysztof; Thöming, Jorg; Stepnowski, Piotr

    2010-01-01

    Chitin, the second most important natural polymer in the world, and its N-deacetylated derivative chitosan, have been identified as versatile biopolymers for a broad range of applications in medicine, agriculture and the food industry. Two of the main reasons for this are firstly the unique chemical, physicochemical and biological properties of chitin and chitosan, and secondly the unlimited supply of raw materials for their production. These polymers exhibit widely differing physicochemical properties depending on the chitin source and the conditions of chitosan production. The presence of reactive functional groups as well as the polysaccharide nature of these biopolymers enables them to undergo diverse chemical modifications. A complete chemical and physicochemical characterization of chitin, chitosan and their derivatives is not possible without using spectroscopic techniques. This review focuses on the application of spectroscopic methods for the structural analysis of these compounds. PMID:20559489

  5. Structures and Encapsulation Motifs of Functional Molecules Probed by Laser Spectroscopic and Theoretical Methods

    PubMed Central

    Kusaka, Ryoji; Inokuchi, Yoshiya; Xantheas, Sotiris S.; Ebata, Takayuki

    2010-01-01

    We report laser spectroscopic and computational studies of host/guest hydration interactions between functional molecules (hosts) and water (guest) in supersonic jets. The examined hosts include dibenzo-18-crown-6-ether (DB18C6), benzo-18-crown-6-ether (B18C6) and calix[4]arene (C4A). The gaseous complexes between the functional molecular hosts and water are generated under jet-cooled conditions. Various laser spectroscopic methods are applied for these species: the electronic spectra are observed by laser-induced fluorescence (LIF), mass-selected resonance enhanced multiphoton ionization (REMPI) and ultraviolet-ultraviolet hole-burning (UV-UV HB) spectroscopy, whereas the vibrational spectra for each individual species are observed by infrared-ultraviolet double resonance (IR-UV DR) spectroscopy. The obained results are analyzed by first principles electronic structure calculations. We discuss the conformations of the host molecules, the structures of the complexes, and key interactions forming the specific complexes. PMID:22319310

  6. Comparison of Traditional Design Nonlinear Programming Optimization and Stochastic Methods for Structural Design

    NASA Technical Reports Server (NTRS)

    Patnaik, Surya N.; Pai, Shantaram S.; Coroneos, Rula M.

    2010-01-01

    Structural design generated by traditional method, optimization method and the stochastic design concept are compared. In the traditional method, the constraints are manipulated to obtain the design and weight is back calculated. In design optimization, the weight of a structure becomes the merit function with constraints imposed on failure modes and an optimization algorithm is used to generate the solution. Stochastic design concept accounts for uncertainties in loads, material properties, and other parameters and solution is obtained by solving a design optimization problem for a specified reliability. Acceptable solutions were produced by all the three methods. The variation in the weight calculated by the methods was modest. Some variation was noticed in designs calculated by the methods. The variation may be attributed to structural indeterminacy. It is prudent to develop design by all three methods prior to its fabrication. The traditional design method can be improved when the simplified sensitivities of the behavior constraint is used. Such sensitivity can reduce design calculations and may have a potential to unify the traditional and optimization methods. Weight versus reliabilitytraced out an inverted-S-shaped graph. The center of the graph corresponded to mean valued design. A heavy design with weight approaching infinity could be produced for a near-zero rate of failure. Weight can be reduced to a small value for a most failure-prone design. Probabilistic modeling of load and material properties remained a challenge.

  7. Comparison of DFT with Traditional Methods for the Calculation of Vibrational Frequencies and Bond Energies

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W.; Arnold, James O. (Technical Monitor)

    1997-01-01

    The vibrational frequencies of MO2 are computed at many levels of theory, including HF, B3LYP, BP86, CASSCF, MP2, and CCSD(T). The computed results are compared with the available experimental results. Most of the methods fail for at least one state of the systems considered. The accuracy of the results and the origin of the observed failures are discussed. The B3LYP bond energies are compared with traditional methods for a variety of systems, ranging from FeCOn+ to SiCln and its positive ions. The cases where B3LYP differs from the traditional methods are discussed.

  8. Comparison of Students Attitude on Performance Based and Traditional Teaching Methods.

    ERIC Educational Resources Information Center

    Johnson, Dewayne J.; Leider, Fred E.

    The purpose of this study was to determine the effect of two different teaching methods on the attitudes of Texas A&M University students participating in required physical education. Thirteen classes were taught using performance-based instruction, while 15 classes were taught using a traditional method. A two-group posttest design was used with

  9. Comparing the Principle-Based SBH Maieutic Method to Traditional Case Study Methods of Teaching Media Ethics

    ERIC Educational Resources Information Center

    Grant, Thomas A.

    2012-01-01

    This quasi-experimental study at a Northwest university compared two methods of teaching media ethics, a class taught with the principle-based SBH Maieutic Method (n = 25) and a class taught with a traditional case study method (n = 27), with a control group (n = 21) that received no ethics training. Following a 16-week intervention, a one-way

  10. Comparing the Principle-Based SBH Maieutic Method to Traditional Case Study Methods of Teaching Media Ethics

    ERIC Educational Resources Information Center

    Grant, Thomas A.

    2012-01-01

    This quasi-experimental study at a Northwest university compared two methods of teaching media ethics, a class taught with the principle-based SBH Maieutic Method (n = 25) and a class taught with a traditional case study method (n = 27), with a control group (n = 21) that received no ethics training. Following a 16-week intervention, a one-way…

  11. Research on the localization method of protecting traditional village landscape: a case study on Tangyin

    NASA Astrophysics Data System (ADS)

    Li, W.

    2015-08-01

    China has over 271 million villages and less than the number in ten years ago in which there are 363 million villages. New rural construction indeed do some good for common villages but still destroy hundreds and thousands traditional village which contain great cultural, science, artistic values. In addition, traditional villages can't meet the increasing needs in more convenient and comfortable living conditions. Increasing population also makes traditional villages out of control in construction. With the background of this, we have to set up in traditional village protection. This article put forward an idea in protection which make use of landscape localization to pursue the sustainable development and vernacular landscape protection. Tangyin Town is a famous trade center in history and left many cultural heritage, especially historical buildings. Take Tangyin as a case study to apply the localization method which could guide other similar villages to achieve same goals.

  12. Weighted partial least squares method to improve calibration precision for spectroscopic noise-limited data

    SciTech Connect

    Haaland, D.M.; Jones, H.D.T.

    1997-09-01

    Multivariate calibration methods have been applied extensively to the quantitative analysis of Fourier transform infrared (FT-IR) spectral data. Partial least squares (PLS) methods have become the most widely used multivariate method for quantitative spectroscopic analyses. Most often these methods are limited by model error or the accuracy or precision of the reference methods. However, in some cases, the precision of the quantitative analysis is limited by the noise in the spectroscopic signal. In these situations, the precision of the PLS calibrations and predictions can be improved by the incorporation of weighting in the PLS algorithm. If the spectral noise of the system is known (e.g., in the case of detector-noise-limited cases), then appropriate weighting can be incorporated into the multivariate spectral calibrations and predictions. A weighted PLS (WPLS) algorithm was developed to improve the precision of the analysis in the case of spectral-noise-limited data. This new PLS algorithm was then tested with real and simulated data, and the results compared with the unweighted PLS algorithm. Using near-infrared (NIR) calibration precision when the WPLS algorithm was applied. The best WPLS method improved prediction precision for the analysis of one of the minor components by a factor of nearly 9 relative to the unweighted PLS algorithm.

  13. Spectroscopic Method for Fast and Accurate Group A Streptococcus Bacteria Detection.

    PubMed

    Schiff, Dillon; Aviv, Hagit; Rosenbaum, Efraim; Tischler, Yaakov R

    2016-02-16

    Rapid and accurate detection of pathogens is paramount to human health. Spectroscopic techniques have been shown to be viable methods for detecting various pathogens. Enhanced methods of Raman spectroscopy can discriminate unique bacterial signatures; however, many of these require precise conditions and do not have in vivo replicability. Common biological detection methods such as rapid antigen detection tests have high specificity but do not have high sensitivity. Here we developed a new method of bacteria detection that is both highly specific and highly sensitive by combining the specificity of antibody staining and the sensitivity of spectroscopic characterization. Bacteria samples, treated with a fluorescent antibody complex specific to Streptococcus pyogenes, were volumetrically normalized according to their Raman bacterial signal intensity and characterized for fluorescence, eliciting a positive result for samples containing Streptococcus pyogenes and a negative result for those without. The normalized fluorescence intensity of the Streptococcus pyogenes gave a signal that is up to 16.4 times higher than that of other bacteria samples for bacteria stained in solution and up to 12.7 times higher in solid state. This method can be very easily replicated for other bacteria species using suitable antibody-dye complexes. In addition, this method shows viability for in vivo detection as it requires minute amounts of bacteria, low laser excitation power, and short integration times in order to achieve high signal. PMID:26752013

  14. Computer game-based and traditional learning method: a comparison regarding students knowledge retention

    PubMed Central

    2013-01-01

    Background Educational computer games are examples of computer-assisted learning objects, representing an educational strategy of growing interest. Given the changes in the digital world over the last decades, students of the current generation expect technology to be used in advancing their learning requiring a need to change traditional passive learning methodologies to an active multisensory experimental learning methodology. The objective of this study was to compare a computer game-based learning method with a traditional learning method, regarding learning gains and knowledge retention, as means of teaching head and neck Anatomy and Physiology to Speech-Language and Hearing pathology undergraduate students. Methods Students were randomized to participate to one of the learning methods and the data analyst was blinded to which method of learning the students had received. Students prior knowledge (i.e. before undergoing the learning method), short-term knowledge retention and long-term knowledge retention (i.e. six months after undergoing the learning method) were assessed with a multiple choice questionnaire. Students performance was compared considering the three moments of assessment for both for the mean total score and for separated mean scores for Anatomy questions and for Physiology questions. Results Students that received the game-based method performed better in the pos-test assessment only when considering the Anatomy questions section. Students that received the traditional lecture performed better in both post-test and long-term post-test when considering the Anatomy and Physiology questions. Conclusions The game-based learning method is comparable to the traditional learning method in general and in short-term gains, while the traditional lecture still seems to be more effective to improve students short and long-term knowledge retention. PMID:23442203

  15. Spectroscopic and thermal investigations on the charge transfer interaction between risperidone as a schizophrenia drug with some traditional π-acceptors: Part 2

    NASA Astrophysics Data System (ADS)

    El-Habeeb, Abeer A.; Al-Saif, Foziah A.; Refat, Moamen S.

    2013-03-01

    The focus of present investigation was to assess the utility of non-expensive techniques in the evaluation of risperidone (Ris) in solid and solution states with different traditional π-acceptors and subsequent incorporation of the analytical determination into pharmaceutical formulation for a faster release of risperidone. Charge-transfer complexes (CTC) of risperidone with picric acid (PA), 2,3-dichloro-5,6-dicyano-p-benzoquinon (DDQ), tetracyanoquinodimethane (TCNQ), tetracyano ethylene (TCNE), tetrabromo-p-quinon (BL) and tetrachloro-p-quinon (CL) have been studied spectrophotometrically in absolute methanol at room temperature. The stoichiometries of the complexes were found to be 1:1 ratio by the photometric molar ratio between risperidone and the π-acceptors. The equilibrium constants, molar extinction coefficient (ɛCT) and spectroscopic-physical parameters (standard free energy (ΔGo), oscillator strength (f), transition dipole moment (μ), resonance energy (RN) and ionization potential (ID)) of the complexes were determined upon the modified Benesi-Hildebrand equation. Risperidone in pure form was applied in this study. The results indicate that the formation constants for the complexes depend on the nature of electron acceptors and donor, and also the spectral studies of the complexes were determined by (infrared, Raman, and 1H NMR) spectra and X-ray powder diffraction (XRD). The most stable mono-protonated form of Ris is characterized by the formation of +Nsbnd H (pyrimidine ring) intramolecular hydrogen bonded. In the high-wavenumber spectral region ˜3400 cm-1, the bands of the +Nsbnd H stretching vibrations and of the pyrimidine nitrogen atom could be potentially useful to discriminate the investigated forms of Ris. The infrared spectra of both Ris complexes are confirming the participation of +Nsbnd H pyrimidine ring in the donor-acceptor interaction.

  16. The Determinants of Traditional Medicine Use in Northern Tanzania: A Mixed-Methods Study

    PubMed Central

    Stanifer, John W.; Patel, Uptal D.; Karia, Francis; Thielman, Nathan; Maro, Venance; Shimbi, Dionis; Kilaweh, Humphrey; Lazaro, Matayo; Matemu, Oliver; Omolo, Justin; Boyd, David

    2015-01-01

    Introduction Traditional medicines are an important part of healthcare in sub-Saharan Africa, and building successful disease treatment programs that are sensitive to traditional medicine practices will require an understanding of their current use and roles, including from a biomedical perspective. Therefore, we conducted a mixed-method study in Northern Tanzania in order to characterize the extent of and reasons for the use of traditional medicines among the general population so that we can better inform public health efforts in the region. Methods Between December 2013 and June 2014 in Kilimanjaro, Tanzania, we conducted 5 focus group discussions and 27 in-depth interviews of key informants. The data from these sessions were analyzed using an inductive framework method with cultural insider-outsider coding. From these results, we developed a structured survey designed to test different aspects of traditional medicine use and administered it to a random sample of 655 adults from the community. The results were triangulated to explore converging and diverging themes. Results Most structured survey participants (68%) reported knowing someone who frequently used traditional medicines, and the majority (56%) reported using them themselves in the previous year. The most common uses were for symptomatic ailments (42%), chronic diseases (15%), reproductive problems (11%), and malaria/febrile illnesses (11%). We identified five major determinants for traditional medicine use in Northern Tanzania: biomedical healthcare delivery, credibility of traditional practices, strong cultural identities, individual health status, and disease understanding. Conclusions In order to better formulate effective local disease management programs that are sensitive to TM practices, we described the determinants of TM use. Additionally, we found TM use to be high in Northern Tanzania and that its use is not limited to lower-income areas or rural settings. After symptomatic ailments, chronic diseases were reported as the most common reason for TM use which may be particularly important in Northern Tanzania where non-communicable diseases are a rapidly growing burden. PMID:25848762

  17. Comparison of Online and Traditional Basic Life Support Renewal Training Methods for Registered Professional Nurses.

    PubMed

    Serwetnyk, Tara M; Filmore, Kristi; VonBacho, Stephanie; Cole, Robert; Miterko, Cindy; Smith, Caitlin; Smith, Charlene M

    2015-01-01

    Basic Life Support certification for nursing staff is achieved through various training methods. This study compared three American Heart Association training methods for nurses seeking Basic Life Support renewal: a traditional classroom approach and two online options. Findings indicate that online methods for Basic Life Support renewal deliver cost and time savings, while maintaining positive learning outcomes, satisfaction, and confidence level of participants. PMID:26580468

  18. A new method for the spectroscopic identification of stellar non-radial pulsation modes. I. The method and numerical tests

    NASA Astrophysics Data System (ADS)

    Zima, W.

    2006-08-01

    Aims.We present the Fourier parameter fit method, a new method for spectroscopically identifying stellar radial and non-radial pulsation modes based on the high-resolution time-series spectroscopy of absorption-line profiles. In contrast to previous methods this one permits a quantification of the statistical significance of the computed solutions. The application of genetic algorithms in seeking solutions makes it possible to search through a large parameter space. Methods: .The mode identification is carried out by minimizing ?^2, using the observed amplitude and phase across the line profile and their modeled counterparts. Computations of the theoretical line profiles are based on a stellar displacement field, which is described as superposition of spherical harmonics and that includes the first order effects of the Coriolis force. Results: .We made numerical tests of the method on a grid of different mono- and multi-mode models for 0 ? ? ? 4 in order to explore its capabilities and limitations. Our results show that whereas the azimuthal order m can be unambiguously identified for low-order modes, the error of ? is in the range of 1. The value of m can be determined with higher precision than with other spectroscopic mode identification methods. Improved values for the inclination can be obtained from the analysis of non-axisymmetric pulsation modes. The new method is ideally suited to intermediatley rotating ? Scuti and ? Cephei stars.

  19. Interaction of methotrexate with trypsin analyzed by spectroscopic and molecular modeling methods

    NASA Astrophysics Data System (ADS)

    Wang, Yanqing; Zhang, Hongmei; Cao, Jian; Zhou, Qiuhua

    2013-11-01

    Trypsin is one of important digestive enzymes that have intimate correlation with human health and illness. In this work, the interaction of trypsin with methotrexate was investigated by spectroscopic and molecular modeling methods. The results revealed that methotrexate could interact with trypsin with about one binding site. Methotrexate molecule could enter into the primary substrate-binding pocket, resulting in inhibition of trypsin activity. Furthermore, the thermodynamic analysis implied that electrostatic force, hydrogen bonding, van der Waals and hydrophobic interactions were the main interactions for stabilizing the trypsin-methotrexate system, which agreed well with the results from the molecular modeling study.

  20. Current Status of Surgical Planning for Orthognathic Surgery: Traditional Methods versus 3D Surgical Planning

    PubMed Central

    Hammoudeh, Jeffrey A.; Howell, Lori K.; Boutros, Shadi; Scott, Michelle A.

    2015-01-01

    Background: Orthognathic surgery has traditionally been performed using stone model surgery. This involves translating desired clinical movements of the maxilla and mandible into stone models that are then cut and repositioned into class I occlusion from which a splint is generated. Model surgery is an accurate and reproducible method of surgical correction of the dentofacial skeleton in cleft and noncleft patients, albeit considerably time-consuming. With the advent of computed tomography scanning, 3D imaging and virtual surgical planning (VSP) have gained a foothold in orthognathic surgery with VSP rapidly replacing traditional model surgery in many parts of the country and the world. What has yet to be determined is whether the application and feasibility of virtual model surgery is at a point where it will eliminate the need for traditional model surgery in both the private and academic setting. Methods: Traditional model surgery was compared with VSP splint fabrication to determine the feasibility of use and accuracy of application in orthognathic surgery within our institution. Results: VSP was found to generate acrylic splints of equal quality to model surgery splints in a fraction of the time. Drawbacks of VSP splint fabrication are the increased cost of production and certain limitations as it relates to complex craniofacial patients. Conclusions: It is our opinion that virtual model surgery will displace and replace traditional model surgery as it will become cost and time effective in both the private and academic setting for practitioners providing orthognathic surgical care in cleft and noncleft patients. PMID:25750846

  1. Bias in Diet Determination: Incorporating Traditional Methods in Bayesian Mixing Models

    PubMed Central

    Franco-Trecu, Valentina; Drago, Massimiliano; Riet-Sapriza, Federico G.; Parnell, Andrew; Frau, Rosina; Inchausti, Pablo

    2013-01-01

    There are not “universal methods” to determine diet composition of predators. Most traditional methods are biased because of their reliance on differential digestibility and the recovery of hard items. By relying on assimilated food, stable isotope and Bayesian mixing models (SIMMs) resolve many biases of traditional methods. SIMMs can incorporate prior information (i.e. proportional diet composition) that may improve the precision in the estimated dietary composition. However few studies have assessed the performance of traditional methods and SIMMs with and without informative priors to study the predators’ diets. Here we compare the diet compositions of the South American fur seal and sea lions obtained by scats analysis and by SIMMs-UP (uninformative priors) and assess whether informative priors (SIMMs-IP) from the scat analysis improved the estimated diet composition compared to SIMMs-UP. According to the SIMM-UP, while pelagic species dominated the fur seal’s diet the sea lion’s did not have a clear dominance of any prey. In contrast, SIMM-IP’s diets compositions were dominated by the same preys as in scat analyses. When prior information influenced SIMMs’ estimates, incorporating informative priors improved the precision in the estimated diet composition at the risk of inducing biases in the estimates. If preys isotopic data allow discriminating preys’ contributions to diets, informative priors should lead to more precise but unbiased estimated diet composition. Just as estimates of diet composition obtained from traditional methods are critically interpreted because of their biases, care must be exercised when interpreting diet composition obtained by SIMMs-IP. The best approach to obtain a near-complete view of predators’ diet composition should involve the simultaneous consideration of different sources of partial evidence (traditional methods, SIMM-UP and SIMM-IP) in the light of natural history of the predator species so as to reliably ascertain and weight the information yielded by each method. PMID:24224031

  2. Increasing Work Group Effectiveness: Combining Corporate Adventure Training with Traditional Team Building Methods.

    ERIC Educational Resources Information Center

    Maxwell, Jon

    1997-01-01

    Discusses the goals of team building, scope of team-building interventions, and specific contributions of both experiential (corporate adventure training) and nonexperiential (traditional) methods for increasing work-group effectiveness. A model for effectively combining the two approaches involves establishing goals, clarifying team members'

  3. Spatial Visualization Learning in Engineering: Traditional Methods vs. a Web-Based Tool

    ERIC Educational Resources Information Center

    Pedrosa, Carlos Melgosa; Barbero, Basilio Ramos; Miguel, Arturo Romn

    2014-01-01

    This study compares an interactive learning manager for graphic engineering to develop spatial vision (ILMAGE_SV) to traditional methods. ILMAGE_SV is an asynchronous web-based learning tool that allows the manipulation of objects with a 3D viewer, self-evaluation, and continuous assessment. In addition, student learning may be monitored, which

  4. Enhancing Learning Using 3D Printing: An Alternative to Traditional Student Project Methods

    ERIC Educational Resources Information Center

    McGahern, Patricia; Bosch, Frances; Poli, DorothyBelle

    2015-01-01

    Student engagement during the development of a three-dimensional visual aid or teaching model can vary for a number of reasons. Some students report that they are not "creative" or "good at art," often as an excuse to justify less professional outcomes. Student engagement can be low when using traditional methods to produce a

  5. An Aural Learning Project: Assimilating Jazz Education Methods for Traditional Applied Pedagogy

    ERIC Educational Resources Information Center

    Gamso, Nancy M.

    2011-01-01

    The Aural Learning Project (ALP) was developed to incorporate jazz method components into the author's classical practice and her applied woodwind lesson curriculum. The primary objective was to place a more focused pedagogical emphasis on listening and hearing than is traditionally used in the classical applied curriculum. The components of the…

  6. A Comparison of Online and Traditional Instructional Delivery Methods on Learning in College Macroeconomics Courses

    ERIC Educational Resources Information Center

    Rivas, Rodolfo R.

    2009-01-01

    This exploratory study centered its investigation in the participants' responses provided in 2 different instructional teaching delivery methods (traditional and online) that utilized active-like teaching learning techniques (case studies, group projects, threaded discussions, class discussions, office hours, lectures, computerized assignments,

  7. A Comparison of Traditional Worksheet and Linear Programming Methods for Teaching Manure Application Planning.

    ERIC Educational Resources Information Center

    Schmitt, M. A.; And Others

    1994-01-01

    Compares traditional manure application planning techniques calculated to meet agronomic nutrient needs on a field-by-field basis with plans developed using computer-assisted linear programming optimization methods. Linear programming provided the most economical and environmentally sound manure application strategy. (Contains 15 references.) (MDH)

  8. The Effect of Two Instructional Methods on Transfer from a Transitional Writing System in Traditional Orthography.

    ERIC Educational Resources Information Center

    Swalm, James E.; Gillooly, William B.

    This study investigated (1) whether symbol-symbol correspondences are learned better when imbedded in whole words or when presented individually and (2) the effect of these two instructional methods on transfer from an experimental transitional writing system (TWS) to traditional orthography (TO). Thirty-five undergraduates were randomly assigned…

  9. Enhancing Learning Using 3D Printing: An Alternative to Traditional Student Project Methods

    ERIC Educational Resources Information Center

    McGahern, Patricia; Bosch, Frances; Poli, DorothyBelle

    2015-01-01

    Student engagement during the development of a three-dimensional visual aid or teaching model can vary for a number of reasons. Some students report that they are not "creative" or "good at art," often as an excuse to justify less professional outcomes. Student engagement can be low when using traditional methods to produce a…

  10. Spatial Visualization Learning in Engineering: Traditional Methods vs. a Web-Based Tool

    ERIC Educational Resources Information Center

    Pedrosa, Carlos Melgosa; Barbero, Basilio Ramos; Miguel, Arturo Román

    2014-01-01

    This study compares an interactive learning manager for graphic engineering to develop spatial vision (ILMAGE_SV) to traditional methods. ILMAGE_SV is an asynchronous web-based learning tool that allows the manipulation of objects with a 3D viewer, self-evaluation, and continuous assessment. In addition, student learning may be monitored, which…

  11. Detailed spectroscopic analysis of SN 1987A: The distance to the LMC using the SEAM method

    SciTech Connect

    Mitchell, Robert C.; Baron, E.; Branch, David; Hauschildt, Peter H.; Nugent, Peter E.; Lundqvist, Peter; Blinnikov, Sergei; Pun, Chun S.J.

    2002-05-21

    Supernova 1987A remains the most well-studied supernova to date. Observations produced excellent broad-band photometric and spectroscopic coverage over a wide wavelength range at all epochs. We model the observed spectra from Day 1 to Day 81 using a hydrodynamical model. We show that good agreement can be obtained at times up to about 60 days, if we allow for extended nickel mixing. Later than about 60 days the observed Balmer lines become stronger than our models can reproduce. We show that this is likely due to a more complicated distribution of gamma-rays than we allow for in our spherically symmetric calculations. We present synthetic light curves in UBVRIJHK and a synthetic bolometric light curve. Using this broad baseline of detailed spectroscopic models we find a distance modulus mu = 18.5 +/- 0.2 using the SEAM method of determining distances to supernovae. We find that the explosion time agrees with that of the neutrino burst and is constrained at 68 percent confidence to within +/- 0.9 days. We argue that the weak Balmer lines of our detailed model calculations casts doubt on the accuracy of the purely photometric EPM method. We also suggest that Type IIP supernovae will be most useful as distance indicators at early times due to a variety of effects.

  12. Spectroscopic characterization and quantitative determination of atorvastatin calcium impurities by novel HPLC method

    NASA Astrophysics Data System (ADS)

    Gupta, Lokesh Kumar

    2012-11-01

    Seven process related impurities were identified by LC-MS in the atorvastatin calcium drug substance. These impurities were identified by LC-MS. The structure of impurities was confirmed by modern spectroscopic techniques like 1H NMR and IR and physicochemical studies conducted by using synthesized authentic reference compounds. The synthesized reference samples of the impurity compounds were used for the quantitative HPLC determination. These impurities were detected by newly developed gradient, reverse phase high performance liquid chromatographic (HPLC) method. The system suitability of HPLC analysis established the validity of the separation. The analytical method was validated according to International Conference of Harmonization (ICH) with respect to specificity, precision, accuracy, linearity, robustness and stability of analytical solutions to demonstrate the power of newly developed HPLC method.

  13. A comparison of microscopic and spectroscopic identification methods for analysis of microplastics in environmental samples.

    PubMed

    Song, Young Kyoung; Hong, Sang Hee; Jang, Mi; Han, Gi Myung; Rani, Manviri; Lee, Jongmyoung; Shim, Won Joon

    2015-04-15

    The analysis of microplastics in various environmental samples requires the identification of microplastics from natural materials. The identification technique lacks a standardized protocol. Herein, stereomicroscope and Fourier transform infrared spectroscope (FT-IR) identification methods for microplastics (<1mm) were compared using the same samples from the sea surface microlayer (SML) and beach sand. Fragmented microplastics were significantly (p<0.05) underestimated and fiber was significantly overestimated using the stereomicroscope both in the SML and beach samples. The total abundance by FT-IR was higher than by microscope both in the SML and beach samples, but they were not significantly (p>0.05) different. Depending on the number of samples and the microplastic size range of interest, the appropriate identification method should be determined; selecting a suitable identification method for microplastics is crucial for evaluating microplastic pollution. PMID:25682567

  14. Comparison of a novel surface laser scanning anthropometric technique to traditional methods for facial parameter measurements.

    PubMed

    Joe, Paula S; Ito, Yasushi; Shih, Alan M; Oestenstad, Riedar K; Lungu, Claudiu T

    2012-01-01

    This study was designed to determine if three-dimensional (3D) laser scanning techniques could be used to collect accurate anthropometric measurements, compared with traditional methods. The use of an alternative 3D method would allow for quick collection of data that could be used to change the parameters used for facepiece design, improving fit and protection for a wider variety of faces. In our study, 10 facial dimensions were collected using both the traditional calipers and tape method and a Konica-Minolta Vivid9i laser scanner. Scans were combined using RapidForm XOR software to create a single complete facial geometry of the subject as a triangulated surface with an associated texture image from which to obtain measurements. A paired t-test was performed on subject means in each measurement by method. Nine subjects were used in this study: five males (one African-American and four Caucasian females) and four females displaying a range of facial dimensions. Five measurements showed significant differences (p<0.05), with most accounted for by subject movements or amended by scanning technique modifications. Laser scanning measurements showed high precision and accuracy when compared with traditional methods. Significant differences found can be very small changes in measurements and are unlikely to present a practical difference. The laser scanning technique demonstrated reliable and quick anthropometric data collection for use in future projects in redesigning respirators. PMID:22214207

  15. Novel spectroscopic methods for determination of Cromolyn sodium and Oxymetazoline hydrochloride in binary mixture

    NASA Astrophysics Data System (ADS)

    Abdel-Aziz, Omar; El-Kosasy, A. M.; Magdy, N.; El Zahar, N. M.

    2014-10-01

    New accurate, sensitive and selective spectrophotometric and spectrofluorimetric methods were developed and subsequently validated for determination of Cromolyn sodium (CS) and Oxymetazoline HCl (OXY) in binary mixture. These methods include ‘H-point standard addition method (HPSAM) and area under the curve (AUC)' spectrophotometric method and first derivative synchronous fluorescence spectroscopic (FDSFS) method. For spectrophotometric methods, absorbances were recorded at 241.5 nm and 274.9 nm for HPSAM and the wavelength was selected in ranges 232.0-254.0 nm and 216.0-229.0 nm for AUC method, where the concentration was obtained by applying Cramer's rule. For FDSFS method, the first-derivative synchronous fluorescence signal was measured at 290.0 nm, using Δλ = 145.0 nm. The suggested methods were validated according to International Conference of Harmonization (ICH) guidelines and the results revealed that they were precise and reproducible. All the obtained results were statistically compared with those of the reported method and there was no significant difference.

  16. Structures and Encapsulation Motifs of Functional Molecules probed by Laser Spectroscopic and Theoretical methods

    SciTech Connect

    Kusaka, Ryoji; Inokuchi, Yoshiya; Xantheas, Sotiris S.; Ebata, Takayuki

    2010-04-01

    We report laser spectroscopic studies of host/guest hydration interactions between functional molecules (hosts) and water (guest) in supersonic jets. The examined hosts include dibenzo-18-crown-6-ether (DB18C6), benzo-18-crown-6-ether (B18C6) and calix[4]arene (C4A). The gaseous complexes between the functional molecular hosts and water are generated under jet-cooled conditions. Various laser spectroscopic methods are applied for these species: the electronic spectra are observed by laser-induced fluorescence (LIF) , massselected resonance enhanced multiphoton ionization (REMPI) and ultraviolet-ultraviolet holeburning (UV-UV HB) spectroscopy, whereas the vibrational spectra for each individual species are observed by infrared-ultraviolet double resonance (IR-UV DR) spectroscopy. The obained results are analyzed by first principles electronic structure calculations. We discuss the conformations of the host molecules, the various structures of the complexes and the key interactions that result in the complexation as well as the effect of the host conformation in the resulting complexation mechanism.

  17. Method and apparatus for differential spectroscopic atomic-imaging using scanning tunneling microscopy

    DOEpatents

    Kazmerski, Lawrence L.

    1990-01-01

    A Method and apparatus for differential spectroscopic atomic-imaging is disclosed for spatial resolution and imaging for display not only individual atoms on a sample surface, but also bonding and the specific atomic species in such bond. The apparatus includes a scanning tunneling microscope (STM) that is modified to include photon biasing, preferably a tuneable laser, modulating electronic surface biasing for the sample, and temperature biasing, preferably a vibration-free refrigerated sample mounting stage. Computer control and data processing and visual display components are also included. The method includes modulating the electronic bias voltage with and without selected photon wavelengths and frequency biasing under a stabilizing (usually cold) bias temperature to detect bonding and specific atomic species in the bonds as the STM rasters the sample. This data is processed along with atomic spatial topography data obtained from the STM raster scan to create a real-time visual image of the atoms on the sample surface.

  18. Data processing method applying principal component analysis and spectral angle mapper for imaging spectroscopic sensors

    NASA Astrophysics Data System (ADS)

    García-Allende, P. B.; Conde, O. M.; Mirapeix, J.; Cubillas, A. M.; López-Higuera, J. M.

    2007-07-01

    A data processing method for hyperspectral images is presented. Each image contains the whole diffuse reflectance spectra of the analyzed material for all the spatial positions along a specific line of vision. This data processing method is composed of two blocks: data compression and classification unit. Data compression is performed by means of Principal Component Analysis (PCA) and the spectral interpretation algorithm for classification is the Spectral Angle Mapper (SAM). This strategy of classification applying PCA and SAM has been successfully tested on the raw material on-line characterization in the tobacco industry. In this application case the desired raw material (tobacco leaves) should be discriminated from other unwanted spurious materials, such as plastic, cardboard, leather, candy paper, etc. Hyperspectral images are recorded by a spectroscopic sensor consisting of a monochromatic camera and a passive Prism- Grating-Prism device. Performance results are compared with a spectral interpretation algorithm based on Artificial Neural Networks (ANN).

  19. Laser apparatus and method for microscopic and spectroscopic analysis and processing of biological cells

    DOEpatents

    Gourley, Paul L.; Gourley, Mark F.

    1997-01-01

    An apparatus and method for microscopic and spectroscopic analysis and processing of biological cells. The apparatus comprises a laser having an analysis region within the laser cavity for containing one or more biological cells to be analyzed. The presence of a cell within the analysis region in superposition with an activated portion of a gain medium of the laser acts to encode information about the cell upon the laser beam, the cell information being recoverable by an analysis means that preferably includes an array photodetector such as a CCD camera and a spectrometer. The apparatus and method may be used to analyze biomedical cells including blood cells and the like, and may include processing means for manipulating, sorting, or eradicating cells after analysis thereof.

  20. Laser apparatus and method for microscopic and spectroscopic analysis and processing of biological cells

    DOEpatents

    Gourley, P.L.; Gourley, M.F.

    1997-03-04

    An apparatus and method are disclosed for microscopic and spectroscopic analysis and processing of biological cells. The apparatus comprises a laser having an analysis region within the laser cavity for containing one or more biological cells to be analyzed. The presence of a cell within the analysis region in superposition with an activated portion of a gain medium of the laser acts to encode information about the cell upon the laser beam, the cell information being recoverable by an analysis means that preferably includes an array photodetector such as a CCD camera and a spectrometer. The apparatus and method may be used to analyze biomedical cells including blood cells and the like, and may include processing means for manipulating, sorting, or eradicating cells after analysis. 20 figs.

  1. Spectroscopic method to measure the superfluid fraction of an ultracold atomic gas

    SciTech Connect

    John, S. T.; Hadzibabic, Z.; Cooper, N. R.

    2011-02-15

    We perform detailed analytical and numerical studies of a recently proposed method for a spectroscopic measurement of the superfluid fraction of an ultracold atomic gas [N. R. Cooper and Z. Hadzibabic, Phys. Rev. Lett. 104, 030401 (2010)]. Previous theoretical work is extended by explicitly including the effects of nonzero temperature and interactions, and assessing the quantitative accuracy of the proposed measurement for a one-component Bose gas. We show that for suitably chosen experimental parameters the method yields an experimentally detectable signal and a sufficiently accurate measurement. This is illustrated by explicitly considering two key examples: First, for a weakly interacting three-dimensional Bose gas it reproduces the expected result that below the critical temperature the superfluid fraction closely follows the condensate fraction. Second, it allows a clear quantitative differentiation of the superfluid and the condensate density in a strongly interacting Bose gas.

  2. Performance of Traditional and Molecular Methods for Detecting Biological Agents in Drinking Water

    USGS Publications Warehouse

    Francy, Donna S.; Bushon, Rebecca N.; Brady, Amie M.G.; Bertke, Erin E.; Kephart, Christopher M.; Likirdopulos, Christina A.; Mailot, Brian E.; Schaefer, Frank W., III; Lindquist, H.D. Alan

    2009-01-01

    To reduce the impact from a possible bioterrorist attack on drinking-water supplies, analytical methods are needed to rapidly detect the presence of biological agents in water. To this end, 13 drinking-water samples were collected at 9 water-treatment plants in Ohio to assess the performance of a molecular method in comparison to traditional analytical methods that take longer to perform. Two 100-liter samples were collected at each site during each sampling event; one was seeded in the laboratory with six biological agents - Bacillus anthracis (B. anthracis), Burkholderia cepacia (as a surrogate for Bu. pseudomallei), Francisella tularensis (F. tularensis), Salmonella Typhi (S. Typhi), Vibrio cholerae (V. cholerae), and Cryptospordium parvum (C. parvum). The seeded and unseeded samples were processed by ultrafiltration and analyzed by use of quantiative polymerase chain reaction (qPCR), a molecular method, and culture methods for bacterial agents or the immunomagnetic separation/fluorescent antibody (IMS/FA) method for C. parvum as traditional methods. Six replicate seeded samples were also processed and analyzed. For traditional methods, recoveries were highly variable between samples and even between some replicate samples, ranging from below detection to greater than 100 percent. Recoveries were significantly related to water pH, specific conductance, and dissolved organic carbon (DOC) for all bacteria combined by culture methods, but none of the water-quality characteristics tested were related to recoveries of C. parvum by IMS/FA. Recoveries were not determined by qPCR because of problems in quantifying organisms by qPCR in the composite seed. Instead, qPCR results were reported as detected, not detected (no qPCR signal), or +/- detected (Cycle Threshold or 'Ct' values were greater than 40). Several sample results by qPCR were omitted from the dataset because of possible problems with qPCR reagents, primers, and probes. For the remaining 14 qPCR results (including some replicate samples), F. tularensis and V. cholerae were detected in all samples after ultrafiltration, B. anthracis was detected in 13 and +/- detected in 1 sample, and C. parvum was detected in 9 and +/- detected in 4 samples. Bu. cepacia was detected in nine samples, +/- detected in two samples, and not detected in three samples (for two out of three samples not detected, a different strain was used). The qPCR assay for V. cholerae provided two false positive - but late - signals in one unseeded sample. Numbers found by qPCR after ultrafiltration were significantly or nearly significantly related to those found by traditional methods for B. anthracis, F. tularensis, and V. cholerae but not for Bu. cepacia and C. parvum. A qPCR assay for S. Typhi was not available. The qPCR method can be used to rapidly detect B. anthracis, F. tularensis, and V. cholerae with some certainty in drinking-water samples, but additional work would be needed to optimize and test qPCR for Bu. cepacia and C. parvum and establish relations to traditional methods. The specificity for the V. cholerae assay needs to be further investigated. Evidence is provided that ultrafiltration and qPCR are promising methods to rapidly detect biological agents in the Nation's drinking-water supplies and thus reduce the impact and consequences from intentional bioterrorist events. To our knowledge, this is the first study to compare the use of traditional and qPCR methods to detect biological agents in large-volume drinking-water samples.

  3. Denoising spectroscopic data by means of the improved least-squares deconvolution method

    NASA Astrophysics Data System (ADS)

    Tkachenko, A.; Van Reeth, T.; Tsymbal, V.; Aerts, C.; Kochukhov, O.; Debosscher, J.

    2013-12-01

    Context. The MOST, CoRoT, and Kepler space missions have led to the discovery of a large number of intriguing, and in some cases unique, objects among which are pulsating stars, stars hosting exoplanets, binaries, etc. Although the space missions have delivered photometric data of unprecedented quality, these data are lacking any spectral information and we are still in need of ground-based spectroscopic and/or multicolour photometric follow-up observations for a solid interpretation. Aims: The faintness of most of the observed stars and the required high signal-to-noise ratio (S/N) of spectroscopic data both imply the need to use large telescopes, access to which is limited. In this paper, we look for an alternative, and aim for the development of a technique that allows the denoising of the originally low S/N (typically, below 80) spectroscopic data, making observations of faint targets with small telescopes possible and effective. Methods: We present a generalization of the original least-squares deconvolution (LSD) method by implementing a multicomponent average profile and a line strengths correction algorithm. We tested the method on simulated and real spectra of single and binary stars, among which are two intrinsically variable objects. Results: The method was successfully tested on the high-resolution spectra of Vega and a Kepler star, KIC 04749989. Application to the two pulsating stars, 20 Cvn and HD 189631, showed that the technique is also applicable to intrinsically variable stars: the results of frequency analysis and mode identification from the LSD model spectra for both objects are in good agreement with the findings from literature. Depending on the S/N of the original data and spectral characteristics of a star, the gain in S/N in the LSD model spectrum typically ranges from 5 to 15 times. Conclusions: The technique introduced in this paper allows an effective denoising of the originally low S/N spectroscopic data. The high S/N spectra obtained this way can be used to determine fundamental parameters and chemical composition of the stars. The restored LSD model spectra contain all the information on line profile variations present in the original spectra of pulsating stars, for example. The method is applicable to both high- (>30 000) and low- (<30 000) resolution spectra, although the information that can be extracted from the latter is limited by the resolving power itself. Based on the data gathered with the hermes spectrograph, installed at the Mercator Telescope, operated on the island of La Palma by the Flemish Community, at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofísica de Canarias and supported by the Fund for Scientific Research of Flanders (FWO), Belgium, the Research Council of K.U. Leuven, Belgium, the Fonds National de la Recherche Scientifique (F.R.S.-FNRS), Belgium, the Royal Observatory of Belgium, the Observatoire de Genève, Switzerland, and the Thüringer Landessternwarte Tautenburg, Germany.Based on the data extracted from the ELODIE archive and the ESO Science Archive Facility under request number TVanReeth63233.The software presented in this work is available upon request from: Andrew.Tkachenko@ster.kuleuven.be

  4. Apparatus for and method of performing spectroscopic analysis on an article

    DOEpatents

    Powell, G.L.; Hallman, R.L. Jr.

    1999-04-20

    An apparatus and method are disclosed for analyzing an article having an entrance and an exit in communication with the entrance. The apparatus comprises: a spectrometer having an emission source with a focal point; a plurality of mirrors; and a detector connected to the spectroscope. The emission source is positioned so that its focal point is substantially coextensive with the entrance of the article. The mirrors comprise: a first mirror positionable adjacent the exit of the article and a second mirror positioned relative to the other of said plurality of mirrors. The first mirror receives scattered emissions exiting the article and substantially collimates the scattered emissions. The second mirror substantially focuses the collimated emissions into a focused emission. The detector receives the focused emission from the mirrors. 6 figs.

  5. Apparatus for and method of performing spectroscopic analysis on an article

    DOEpatents

    Powell, George Louis; Hallman, Jr., Russell Louis

    1999-01-01

    An apparatus for and method of analyzing an article having an entrance and an exit in communication with the entrance. The apparatus comprises: a spectrometer having an emission source with a focal point; a plurality of mirrors; and a detector connected to the spectroscope. The emission source is positioned so that its focal point is substantially coextensive with the entrance of the article. The mirrors comprise: a first mirror positionable adjacent the exit of the article and a second mirror positioned relative to the other of said plurality of mirrors. The first mirror receives scattered emissions exiting the article and substantially collimates the scattered emissions. The second mirror substantially focuses the collimated emissions into a focused emission. The detector receives the focused emission from the mirrors.

  6. Web-based versus traditional lecture: are they equally effective as a flexible bronchoscopy teaching method?

    PubMed Central

    Sterse Mata, Caio Augusto; Hirotoshi Ota, Luiz; Suzuki, Iunis; Telles, Adriana; Miotto, Andre; Eduardo Vilaa Leo, Luiz

    2012-01-01

    This study compares the traditional live lecture to a web-based approach in the teaching of bronchoscopy and evaluates the positive and negative aspects of both methods. We developed a web-based bronchoscopy curriculum, which integrates texts, images and animations. It was applied to first-year interns, who were later administered a multiple-choice test. Another group of eight first-year interns received the traditional teaching method and the same test. The two groups were compared using the Student's t-test. The mean scores (SD) of students who used the website were 14.631.41 (range 1317). The test scores of the other group had the same range, with a mean score of 14.751. The Student's t-test showed no difference between the test results. The common positive point noted was the presence of multimedia content. The web group cited as positive the ability to review the pages, and the other one the role of the teacher. Web-based bronchoscopy education showed results similar to the traditional live lecture in effectiveness. PMID:22108938

  7. Methods for Sight Word Recognition in Kindergarten: Traditional Flashcard Method vs. Multisensory Approach

    ERIC Educational Resources Information Center

    Phillips, William E.; Feng, Jay

    2012-01-01

    A quasi-experimental action research with a pretest-posttest same subject design was implemented to determine if there is a different effect of the flash card method and the multisensory approach on kindergarteners' achievement in sight word recognition, and which method is more effective if there is any difference. Instrumentation for pretest and

  8. Soft-tissues Image Processing: Comparison of Traditional Segmentation Methods with 2D active Contour Methods

    NASA Astrophysics Data System (ADS)

    Mikulka, J.; Gescheidtova, E.; Bartusek, K.

    2012-01-01

    The paper deals with modern methods of image processing, especially image segmentation, classification and evaluation of parameters. It focuses primarily on processing medical images of soft tissues obtained by magnetic resonance tomography (MR). It is easy to describe edges of the sought objects using segmented images. The edges found can be useful for further processing of monitored object such as calculating the perimeter, surface and volume evaluation or even three-dimensional shape reconstruction. The proposed solutions can be used for the classification of healthy/unhealthy tissues in MR or other imaging. Application examples of the proposed segmentation methods are shown. Research in the area of image segmentation focuses on methods based on solving partial differential equations. This is a modern method for image processing, often called the active contour method. It is of great advantage in the segmentation of real images degraded by noise with fuzzy edges and transitions between objects. In the paper, results of the segmentation of medical images by the active contour method are compared with results of the segmentation by other existing methods. Experimental applications which demonstrate the very good properties of the active contour method are given.

  9. [The combined treatment of amblyopia by the methods of acupuncture reflexotherapy and traditional pleoptics].

    PubMed

    Pasmanik, E D; Nizovtseva, T R

    1993-01-01

    Fifty-two children (75 eyes with amblyopia) were treated by acupuncture and traditional pleoptics. This complex of treatment was found more effective as against traditional pleoptics alone (70 children, 118 eyes with amblyopia) on the whole and in the treatment of high amblyopia. The best results were attained in children previously treated by pleoptic methods with special equipment (older children). Of the 17 eyes with amblyopia resistant to common treatment multiple-modality treatment resulted in improvement in 10 (58.8%). The effect of treatment persisted for 3 months. The first course of such treatment proved to be the most effective in the treatment of high amblyopia; starting from the second course the condition grew resistant to such treatment, this resistance gradually augmenting. PMID:8279108

  10. Quantification methods of Black Carbon: comparison of Rock-Eval analysis with traditional methods.

    PubMed

    Poot, Anton; Quik, Joris T K; Veld, Harry; Koelmans, Albert A

    2009-01-16

    Black Carbon (BC) quantification methods are reviewed, including new Rock-Eval 6 data on BC reference materials. BC has been reported to have major impacts on climate, human health and environmental quality. Especially for risk assessment of persistent organic pollutants (POPs) it is important to account for risk reduction caused by BC, as suggested for POP safety assessment in the framework of the new European Community Regulation on Registration, Evaluation, Authorization and Restriction of Chemicals (REACH). Four major classes of BC quantification methods are reviewed including application to BC reference materials. Methods include chemical oxidation, thermal oxidation, molecular marker, optical methods and Rock-Eval analyses. Residual carbon from Rock-Eval 6 analysis correlated well with BC data from 'gentle' methods like optical and molecular marker methods, which capture a major part of the BC continuum including labile fractions (e.g. char). In contrast, the temperature at which 50% of the organic matter was oxidized (T(50%)) in an oxidation-only Rock-Eval analysis, correlated well with data from chemothermal oxidation (CTO), which captures only refractory BC fractions (e.g. soot). Rock-Eval analysis can further be used for BC characterization through deconvolution of the dominant peaks of the thermogram and appears to be a powerful tool in BC analysis. PMID:18760794

  11. Analytical brightness compensation algorithm for traditional polygon-based method in computer-generated holography.

    PubMed

    Pan, Yijie; Wang, Yongtian; Liu, Juan; Li, Xin; Jia, Jia; Zhang, Zhao

    2013-06-20

    In three-dimensional (3D) holographic display, current brightness compensation algorithm of the traditional polygon-based method experimentally obtains the compensation factor, which depends on the fabrication process. In this paper, we proposed an analytical brightness compensation method discarding the influence of the fabrication. The surface property function with the flat power spectral density and the compensation factor obtained from the simplified relationship between the original and the rotated frequencies are used to analytically compensate the radiant energy of the tilted polygon. The optical reconstruction results show the proposed method could effectively compensate the brightness and ensure the further shading process. The proposed method separates the brightness compensation from the fabrication process, which is important for deepening the investigation of the hologram fabrication and achieving realistic 3D reconstruction. PMID:23842184

  12. Traditional and robust vector selection methods for use with similarity based models

    SciTech Connect

    Hines, J. W.; Garvey, D. R.

    2006-07-01

    Vector selection, or instance selection as it is often called in the data mining literature, performs a critical task in the development of nonparametric, similarity based models. Nonparametric, similarity based modeling (SBM) is a form of 'lazy learning' which constructs a local model 'on the fly' by comparing a query vector to historical, training vectors. For large training sets the creation of local models may become cumbersome, since each training vector must be compared to the query vector. To alleviate this computational burden, varying forms of training vector sampling may be employed with the goal of selecting a subset of the training data such that the samples are representative of the underlying process. This paper describes one such SBM, namely auto-associative kernel regression (AAKR), and presents five traditional vector selection methods and one robust vector selection method that may be used to select prototype vectors from a larger data set in model training. The five traditional vector selection methods considered are min-max, vector ordering, combination min-max and vector ordering, fuzzy c-means clustering, and Adeli-Hung clustering. Each method is described in detail and compared using artificially generated data and data collected from the steam system of an operating nuclear power plant. (authors)

  13. Automatic diagnosis of melanoma using machine learning methods on a spectroscopic system

    PubMed Central

    2014-01-01

    Background Early and accurate diagnosis of melanoma, the deadliest type of skin cancer, has the potential to reduce morbidity and mortality rate. However, early diagnosis of melanoma is not trivial even for experienced dermatologists, as it needs sampling and laboratory tests which can be extremely complex and subjective. The accuracy of clinical diagnosis of melanoma is also an issue especially in distinguishing between melanoma and mole. To solve these problems, this paper presents an approach that makes non-subjective judgements based on quantitative measures for automatic diagnosis of melanoma. Methods Our approach involves image acquisition, image processing, feature extraction, and classification. 187 images (19 malignant melanoma and 168 benign lesions) were collected in a clinic by a spectroscopic device that combines single-scattered, polarized light spectroscopy with multiple-scattered, un-polarized light spectroscopy. After noise reduction and image normalization, features were extracted based on statistical measurements (i.e. mean, standard deviation, mean absolute deviation, L 1 norm, and L 2 norm) of image pixel intensities to characterize the pattern of melanoma. Finally, these features were fed into certain classifiers to train learning models for classification. Results We adopted three classifiers – artificial neural network, naïve bayes, and k-nearest neighbour to evaluate our approach separately. The naive bayes classifier achieved the best performance - 89% accuracy, 89% sensitivity and 89% specificity, which was integrated with our approach in a desktop application running on the spectroscopic system for diagnosis of melanoma. Conclusions Our work has two strengths. (1) We have used single scattered polarized light spectroscopy and multiple scattered unpolarized light spectroscopy to decipher the multilayered characteristics of human skin. (2) Our approach does not need image segmentation, as we directly probe tiny spots in the lesion skin and the image scans do not involve background skin. The desktop application for automatic diagnosis of melanoma can help dermatologists get a non-subjective second opinion for their diagnosis decision. PMID:25311811

  14. A new criterion of photostimulated luminescence (PSL) method to detect irradiated traditional Chinese medicinal herbs

    NASA Astrophysics Data System (ADS)

    Zhang, Liwen; Lin, Tong; Jiang, Yingqiao; Bi, Fujun

    2013-11-01

    This work used a new criterion to analyze 162 varieties (222 batches) of traditional Chinese medicinal herbs based on the European Standard EN 13751 (2009. Foodstuffs—Detection of Irradiated Food Using Photostimulated Luminescence. European Committee for Standardization, Brussels, Belgium). The characteristics of PSL signals are described, and a new criterion is established. Compared to EN 13751, the new criterion uses clearer definition to evaluate instead of the ambiguous descriptions in EN Standard, such as "much greater than" and "within the same order of magnitude". Moreover, the accuracy of the new criterion is as good as or better than EN Standard in regard to classifying irradiated and non-irradiated traditional Chinese medicinal herbs. It can help to avoid false positive result when a non-irradiated herb got a screening PSL measurement above 5000 counts/60 s. This new criterion of photostimulated luminescence method can be applied to identify the irradiation status of traditional Chinese medicinal herbs, even if the medicinal herbs were irradiated at a low dose (0.3 kGy) or stored in the dark at room temperature for 24 months after the irradiation treatment.

  15. Allogeneic adsorptions: a comparison of the traditional method with a modified PEG adsorption method.

    PubMed

    Etem, M E; Laird-Fryer, B; Holub, M P; Hedl, J J; Symington, D B; Figueroa, D

    2010-01-01

    The purpose of this study is to demonstrate the benefits of enhancing adsorptions with PEG. Allogeneic adsorptions were performed on 20 patient samples containing warm reactive autoantibodies with two volumes of adsorbing RBCs; results using unenhanced adsorptions were compared with those using PEG-enhanced adsorptions and with using untreated adsorbing RBCs and ficin-treated adsorbing RBCs. Two volumes of adsorbing RBCs, one volume of serum, and one volume of PEG were used. The number of adsorptions, average time saved, and presence or absence of underlying alloantibodies were compared for the two methods and types of adsorbing RBCs. Modified PEG-enhanced adsorptions resulted in a 69 percent decrease in adsorbing time. PEG adsorptions removed all autoantibodies and detected 18 of 19 underlying alloantibodies. The unenhanced method did not remove autoantibodies in two samples and identified only 15 of 19 underlying alloantibodies. As expected, reductions in the number of adsorptions and adsorbing time were observed. The modified-PEG adsorption is an improved method that may replace the current unenhanced method. PMID:21214296

  16. Seventy-meter antenna performance predictions: GTD analysis compared with traditional ray-tracing methods

    NASA Technical Reports Server (NTRS)

    Schredder, J. M.

    1988-01-01

    A comparative analysis was performed, using both the Geometrical Theory of Diffraction (GTD) and traditional pathlength error analysis techniques, for predicting RF antenna gain performance and pointing corrections. The NASA/JPL 70 meter antenna with its shaped surface was analyzed for gravity loading over the range of elevation angles. Also analyzed were the effects of lateral and axial displacements of the subreflector. Significant differences were noted between the predictions of the two methods, in the effect of subreflector displacements, and in the optimal subreflector positions to focus a gravity-deformed main reflector. The results are of relevance to future design procedure.

  17. Traditional and modern plant breeding methods with examples in rice (Oryza sativa L.).

    PubMed

    Breseghello, Flavio; Coelho, Alexandre Siqueira Guedes

    2013-09-01

    Plant breeding can be broadly defined as alterations caused in plants as a result of their use by humans, ranging from unintentional changes resulting from the advent of agriculture to the application of molecular tools for precision breeding. The vast diversity of breeding methods can be simplified into three categories: (i) plant breeding based on observed variation by selection of plants based on natural variants appearing in nature or within traditional varieties; (ii) plant breeding based on controlled mating by selection of plants presenting recombination of desirable genes from different parents; and (iii) plant breeding based on monitored recombination by selection of specific genes or marker profiles, using molecular tools for tracking within-genome variation. The continuous application of traditional breeding methods in a given species could lead to the narrowing of the gene pool from which cultivars are drawn, rendering crops vulnerable to biotic and abiotic stresses and hampering future progress. Several methods have been devised for introducing exotic variation into elite germplasm without undesirable effects. Cases in rice are given to illustrate the potential and limitations of different breeding approaches. PMID:23551250

  18. ITPI: Initial Transcription Process-Based Identification Method of Bioactive Components in Traditional Chinese Medicine Formula

    PubMed Central

    Zhang, Baixia; Li, Yanwen; Zhang, Yanling; Li, Zhiyong; Bi, Tian; He, Yusu; Song, Kuokui; Wang, Yun

    2016-01-01

    Identification of bioactive components is an important area of research in traditional Chinese medicine (TCM) formula. The reported identification methods only consider the interaction between the components and the target proteins, which is not sufficient to explain the influence of TCM on the gene expression. Here, we propose the Initial Transcription Process-based Identification (ITPI) method for the discovery of bioactive components that influence transcription factors (TFs). In this method, genome-wide chip detection technology was used to identify differentially expressed genes (DEGs). The TFs of DEGs were derived from GeneCards. The components influencing the TFs were derived from STITCH. The bioactive components in the formula were identified by evaluating the molecular similarity between the components in formula and the components that influence the TF of DEGs. Using the formula of Tian-Zhu-San (TZS) as an example, the reliability and limitation of ITPI were examined and 16 bioactive components that influence TFs were identified.

  19. Development of vibrational spectroscopic methods to rapidly and non-destructively assess quality of chicken breast meat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Development of Vibrational Spectroscopic Methods to Rapidly and Non-Destructively Assess Quality of Chicken Breast Meat H. Zhuang1, M. Sohn2, S. Trabelsi1 and K. Lawrence1 1Quality and Safety Assessment Research Unit, ARS-USDA, 950 College Station Road, Athens, GA 30605 2University of Georgia, De...

  20. Comparing student achievement in the problem-based learning classroom and traditional teaching methods classroom

    NASA Astrophysics Data System (ADS)

    Dobbs, Vicki

    Significant numbers of students fail high school chemistry, preventing them from graduating. Starting in the 2013-2014 school year, 100% of the students must pass a science assessment for schools to meet Adequate Yearly Progress (AYP) in accordance to No Child Left Behind (NCLB). Failure to meet AYP results in sanctions, such as state management or closure of a school or replacing a school staff. The purpose of this study was to determine whether the teaching strategy, Problem Based Learning (PBL), will improve student achievement in high school chemistry to a greater degree than traditional teaching methods. PBL is a student-centered, inquiry-based teaching method based on the constructivist learning theory. The research question looked at whether there was a difference in student achievement between students a high school chemistry classroom using PBL and students in a classroom using traditional teaching methods as measured by scores on a 20-question quiz. The research study used a quasi-experimental pretest/posttest control group design. An independent samples t-test compared gains scores between the pretest and posttest. Analysis of quiz scores indicated that there was not a significant difference (t(171) = 1.001, p = .318) in student achievement between the teaching methods. Because there was not a significant difference, each teacher can decide which teaching method best suites the subject matter and the learning styles of the students. This study adds research based data to help teachers and schools choose one teaching method over another so that students may gain knowledge, develop problem-solving skills, and life-long learning skills that will bring about social change in the form of a higher quality of life for the students and community as a whole.

  1. [Compatibility regularity of compound traditional Chinese medicine patents based on association principle and entropy method].

    PubMed

    Yin, Xiang-jun; He, Qing-yong

    2015-02-01

    To analyze the compatibility regularity of compound traditional Chinese medicine (TCM) patents for treating dyslipidemia, and provide basis for the clinical development and research of new TCM for treating dyslipidemia. Totally 243 compound traditional Chinese medicine patents for treating dyslipidemia were collected from the national patent database from September 1985 to March 2014 and analyzed by using drug frequency, association rules, complex network and entropy method of Traditional Chinese Medicine Inheritance System (V1.1). The commonest single medicine in the treatment of dyslipidemia is Crataegi Fructus 109 (44.86%). The commonest pair medicine is Crataegi Fructus-Salviae Miltiorrhizae Radix et Rhizoma 53 (21.81%). The commonest corner drug is Crataegi Fructus-Cassiae Semen-Polygoni Multiflori Radix 25 (10.29%). The common prescriptions on basis of association rules are Prunellae Spica-->Salviae Miltiorrhizae Radix et Rhizoma (0.833), Rhei Radix et Rhizoma, Alismatis Rhizoma-->Polygoni Multiflori Radix (1.00), Salviae Miltiorrhizae Radix et Rhizoma, Cassiae Semen, Alismatis Rhizoma-->Polygoni Multiflori Radix (0.929). The core drugs based on complex networks are Salviae Miltiorrhizae Radix et Rhizoma and Crataegi Fructus. The new prescriptions extracted by entropy method are Atractylodis Macrocephalae Rhizoma-Glycyrrhizae Radix et Rhizoma-Platycladi Semen-Stephaniae Tetrandrae Radix; Citri Reticulatae Pericarpium-Poria-Coicis Semen-Pinelliae Rhizoma. This study shows the regularity in the compatibility of compound TCM patents treating dyslipidemia, suggesting that future studies on new traditional Chinese medicines treating dyslipidemia should focus on the following six aspects: (1) Single medicine should be preferred: e. g. Crataegi Fructus; (2) Pair medicines should be preferred: e. g. Crataegi Fructus-Salviae Miltiorrhizae Radix et Rhizoma; (3) Corner drugs should be preferred: e. g. Crataegi Fructus, Cassiae Semen, Polygoni Multiflori Radix; (4) The compatibility among drugs shall be given attention, and highly correlated drugs should be preferred: e. g. Prunellae Spica, Salviae Miltiorrhizae Radix et Rhizoma; Rhei Radix et Rhizoma, Alismatis Rhizoma, Polygoni Multiflori Radix; Salviae Miltiorrhizae Radix et Rhizoma, Cassiae Semen, Alismatis Rhizoma, Polygoni Multiflori Radix; (5) Core drugs should be dominant and compatible, e. g. in the digestion catharsis method, the core drugs is Crataegi Fructus and compatible with Salviae Miltiorrhizae Radix et Rhizoma; (6) Application of new prescriptions: Atractylodis Macrocephalae Rhizoma, Glycyrrhizae Radix et Rhizoma, Platycladi Semen, Stephaniae Tetrandrae Radix; Citri Reticulatae Pericarpium, Poria, Coicis Semen, Pinelliae Rhizoma. PMID:26084186

  2. Optical caries diagnostics: comparison of laser spectroscopic PNC method with method of laser integral fluorescence

    NASA Astrophysics Data System (ADS)

    Masychev, Victor I.

    2000-11-01

    In this research we present the results of approbation of two methods of optical caries diagnostics: PNC-spectral diagnostics and caries detection by laser integral fluorescence. The research was conducted in a dental clinic. PNC-method analyses parameters of probing laser radiation and PNC-spectrums of stimulated secondary radiations: backscattering and endogenous fluorescence of caries-involved bacterias. He-Ne-laser ((lambda) =632,8 nm, 1-2mW) was used as a source of probing (stimulated) radiation. For registration of signals, received from intact and pathological teeth PDA-detector was applied. PNC-spectrums were processed by special algorithms, and were displayed on PC monitor. The method of laser integral fluorescence was used for comparison. In this case integral power of fluorescence of human teeth was measured. As a source of probing (stimulated) radiation diode lasers ((lambda) =655 nm, 0.1 mW and 630nm, 1mW) and He-Ne laser were applied. For registration of signals Si-photodetector was used. Integral power was shown in a digital indicator. Advantages and disadvantages of these methods are described in this research. It is disclosed that the method of laser integral power of fluorescence has the following characteristics: simplicity of construction and schema-technical decisions. However the method of PNC-spectral diagnostics are characterized by considerably more sensitivity in diagnostics of initial caries and capability to differentiate pathologies of various stages (for example, calculus/initial caries). Estimation of spectral characteristics of PNC-signals allows eliminating a number of drawbacks, which are character for detection by method of laser integral fluorescence (for instance, detection of fluorescent fillings, plagues, calculus, discolorations generally, amalgam, gold fillings as if it were caries.

  3. Comment on Quantitative comparison of analysis methods for spectroscopic optical coherence tomography

    PubMed Central

    Kraszewski, Maciej; Trojanowski, Micha?; Str?kowski, Marcin R.

    2014-01-01

    In a recent paper by Bosschaart et al. [Biomed. Opt. Express 4, 2570 (2013)] various algorithms of time-frequency signal analysis have been tested for their performance in blood analysis with spectroscopic optical coherence tomography (sOCT). The measurement of hemoglobin concentration and oxygen saturation based on blood absorption spectra have been considered. Short time Fourier transform (STFT) was found as the best method for the measurement of blood absorption spectra. STFT was superior to other methods, such as dual window Fourier transform. However, the algorithm proposed by Bosschaart et al. significantly underestimates values of blood oxygen saturation. In this comment we show that this problem can be solved by thorough design of STFT algorithm. It requires the usage of a non-gaussian shape of STFT window that may lead to an excellent reconstruction of blood absorption spectra from OCT interferograms. Our study shows that sOCT can be potentially used for estimating oxygen saturation of blood with the accuracy below 1% and the spatial resolution of OCT image better than 20 ?m. PMID:25401015

  4. Comparability of a Three-Dimensional Structure in Biopharmaceuticals Using Spectroscopic Methods

    PubMed Central

    Abad-Javier, Mario E.; Romero-Díaz, Alexis J.; Villaseñor-Ortega, Francisco; Pérez, Néstor O.; Flores-Ortiz, Luis F.

    2014-01-01

    Protein structure depends on weak interactions and covalent bonds, like disulfide bridges, established according to the environmental conditions. Here, we present the validation of two spectroscopic methodologies for the measurement of free and unoxidized thiols, as an attribute of structural integrity, using 5,5′-dithionitrobenzoic acid (DTNB) and DyLight Maleimide (DLM) as derivatizing agents. These methods were used to compare Rituximab and Etanercept products from different manufacturers. Physicochemical comparability was demonstrated for Rituximab products as DTNB showed no statistical differences under native, denaturing, and denaturing-reducing conditions, with Student's t-test P values of 0.6233, 0.4022, and 0.1475, respectively. While for Etanercept products no statistical differences were observed under native (P = 0.0758) and denaturing conditions (P = 0.2450), denaturing-reducing conditions revealed cysteine contents of 98% and 101%, towards the theoretical value of 58, for the evaluated products from different Etanercept manufacturers. DLM supported equality between Rituximab products under native (P = 0.7499) and denaturing conditions (P = 0.8027), but showed statistical differences among Etanercept products under native conditions (P < 0.001). DLM suggested that Infinitam has fewer exposed thiols than Enbrel, although DTNB method, circular dichroism (CD), fluorescence (TCSPC), and activity (TNFα neutralization) showed no differences. Overall, this data revealed the capabilities and drawbacks of each thiol quantification technique and their correlation with protein structure. PMID:24963443

  5. Characterization of organic matter from composting of different residues by physicochemical and spectroscopic methods.

    PubMed

    Fialho, Lucimar Lopes; Lopes da Silva, Wilson Tadeu; Milori, Débora M B P; Simões, Marcelo Luiz; Martin-Neto, Ladislau

    2010-03-01

    Chemical and spectroscopic methods were used to characterize organic matter transformations during the composting process. Four different residue mixtures were studied: P1--garden trimmings (GT) only, P2 - GT plus fresh cattle manure, P3--GT plus orange pomace and P4--GT plus filter cake. The thermophilic phase was not reached in P1 compost, but the P2, P3 and P4 composts showed all three typical process phases. The thermophilic phase and CEC/C ratio stabilized after 90 days, while C/N ratio and the ash content stabilized after 60 days. The increasing E(4)/E(6) ratio indicated oxidation reactions occurring during the process in the material from P2, P3 and P4. The (13)C NMR and FTIR results suggested extraction of both pectin and lignin in the HA-like fraction. The CEC/C ratio, temperature and E(4)/E(6) ratio showed that within 90 days P2, P3 and P4 composts were humified. However, material from P1 did not show characteristics of humified compost. From these data, it is apparent that C/N ratio and ash content are not reliable methods for monitoring the composting process. PMID:19954966

  6. Comparison of prosthetic models produced by traditional and additive manufacturing methods

    PubMed Central

    Park, Jin-Young; Kim, Hae-Young; Kim, Ji-Hwan; Kim, Jae-Hong

    2015-01-01

    PURPOSE The purpose of this study was to verify the clinical-feasibility of additive manufacturing by comparing the accuracy of four different manufacturing methods for metal coping: the conventional lost wax technique (CLWT); subtractive methods with wax blank milling (WBM); and two additive methods, multi jet modeling (MJM), and micro-stereolithography (Micro-SLA). MATERIALS AND METHODS Thirty study models were created using an acrylic model with the maxillary upper right canine, first premolar, and first molar teeth. Based on the scan files from a non-contact blue light scanner (Identica; Medit Co. Ltd., Seoul, Korea), thirty cores were produced using the WBM, MJM, and Micro-SLA methods, respectively, and another thirty frameworks were produced using the CLWT method. To measure the marginal and internal gap, the silicone replica method was adopted, and the silicone images obtained were evaluated using a digital microscope (KH-7700; Hirox, Tokyo, Japan) at 140X magnification. Analyses were performed using two-way analysis of variance (ANOVA) and Tukey post hoc test (α=.05). RESULTS The mean marginal gaps and internal gaps showed significant differences according to tooth type (P<.001 and P<.001, respectively) and manufacturing method (P<.037 and P<.001, respectively). Micro-SLA did not show any significant difference from CLWT regarding mean marginal gap compared to the WBM and MJM methods. CONCLUSION The mean values of gaps resulting from the four different manufacturing methods were within a clinically allowable range, and, thus, the clinical use of additive manufacturing methods is acceptable as an alternative to the traditional lost wax-technique and subtractive manufacturing. PMID:26330976

  7. Huygens Titan Probe Trajectory Reconstruction Using Traditional Methods and the Program to Optimize Simulated Trajectories II

    NASA Technical Reports Server (NTRS)

    Striepe, Scott A.; Blanchard, Robert C.; Kirsch, Michael F.; Fowler, Wallace T.

    2007-01-01

    On January 14, 2005, ESA's Huygens probe separated from NASA's Cassini spacecraft, entered the Titan atmosphere and landed on its surface. As part of NASA Engineering Safety Center Independent Technical Assessment of the Huygens entry, descent, and landing, and an agreement with ESA, NASA provided results of all EDL analyses and associated findings to the Huygens project team prior to probe entry. In return, NASA was provided the flight data from the probe so that trajectory reconstruction could be done and simulation models assessed. Trajectory reconstruction of the Huygens entry probe at Titan was accomplished using two independent approaches: a traditional method and a POST2-based method. Results from both approaches are discussed in this paper.

  8. Comparison of Satellite Surveying to Traditional Surveying Methods for the Resources Industry

    NASA Astrophysics Data System (ADS)

    Osborne, B. P.; Osborne, V. J.; Kruger, M. L.

    Modern ground-based survey methods involve detailed survey, which provides three-space co-ordinates for surveyed points, to a high level of accuracy. The instruments are operated by surveyors, who process the raw results to create survey location maps for the subject of the survey. Such surveys are conducted for a location or region and referenced to the earth global co- ordinate system with global positioning system (GPS) positioning. Due to this referencing the survey is only as accurate as the GPS reference system. Satellite survey remote sensing utilise satellite imagery which have been processed using commercial geographic information system software. Three-space co-ordinate maps are generated, with an accuracy determined by the datum position accuracy and optical resolution of the satellite platform.This paper presents a case study, which compares topographic surveying undertaken by traditional survey methods with satellite surveying, for the same location. The purpose of this study is to assess the viability of satellite remote sensing for surveying in the resources industry. The case study involves a topographic survey of a dune field for a prospective mining project area in Pakistan. This site has been surveyed using modern surveying techniques and the results are compared to a satellite survey performed on the same area.Analysis of the results from traditional survey and from the satellite survey involved a comparison of the derived spatial co- ordinates from each method. In addition, comparisons have been made of costs and turnaround time for both methods.The results of this application of remote sensing is of particular interest for survey in areas with remote and extreme environments, weather extremes, political unrest, poor travel links, which are commonly associated with mining projects. Such areas frequently suffer language barriers, poor onsite technical support and resources.

  9. Determination of Cephalexin Monohydrate in Pharmaceutical Dosage Form by Stability-Indicating RP-UFLC and UV Spectroscopic Methods

    PubMed Central

    Panda, Sagar Suman; Ravi Kumar, Bera V. V.; Dash, Rabisankar; Mohanta, Ganeswar

    2013-01-01

    An ultra-fast liquid chromatographic method and two UV spectroscopic methods were developed for the determination of cephalexin monohydrate in pharmaceutical dosage forms. Isocratic separation was performed on an Enable C18G column (250 mm 4.6 mm i.d., 5 ?m) using methanol:0.01 M TBAHS (50:50, v/v) as the mobile phase at a flow rate of 1.0 ml/min. The PDA detection wavelength was set at 254 nm. The UV spectroscopic method was performed at 261 nm and at 256266 nm for the AUC method using a phosphate buffer (pH=5.5). The linearity was observed over a concentration range of 1.0120 ?g/ml for UFLC and both of the UV spectroscopic methods (correlation coefficient=0.999). The developed methods were validated according to ICH guidelines. The relative standard deviation values for the intraday and interday precision studies were < 2%, and the accuracy was > 99% for all of the three methods. The developed methods were used successfully for the determination of cephalexin in dry syrup formulation. PMID:24482771

  10. Modified method for preparation of Halubai-an Indian traditional sweet.

    PubMed

    Asha, M R; Ravi, Ramasamy; Srinivasan, Bharath Kumar; Rao Patil, Swapna Babu; Prakash, Maya

    2014-04-01

    Halubai, a traditional Indian sweet is conventionally prepared by soaking and grinding whole cereals/millets to a fine paste, straining it through a cloth and cooking the resultant dispersion until it starts gelatinizing. Cooking is continued further with the addition of jaggery water, stirring constantly with intermittent addition of ghee. This process involves many unit operations, which are energy and time consuming. Hence a modified method was developed which is energy efficient and time saving without compromising the quality of the product. One fine fraction (200 mesh, BS) of cereal/millet flours were used in modified method instead of whole cereals. Sensory and instrumental analysis of the samples showed that quality of Halubai prepared using modified method was comparable to that of samples from conventional method. Correlation studies on sensory data of Halubai showed positive relation for the set (r = 0.94) and smoothness (r = 0.84); and negative relation for stickiness (r = -0.94) with the overall quality. Modified method of Halubai preparation which was simple and energy efficient, resulted in products with good sensory quality. PMID:24741169

  11. Relating Learning Styles to Performance on Written Composition Using Microcomputer Word Processing and the Traditional Handwritten Method.

    ERIC Educational Resources Information Center

    Jackson, Linda W.; And Others

    Using word processors and the traditional handwriting method, a study investigated the relationship of learning styles to performance in twelfth graders' written compositions. Subjects (n=55) were enrolled in a public school in east central Mississippi. The study hypothesized that students using word processors and those using the traditional

  12. Dental students' opinions of preparation assessment with E4D compare software versus traditional methods.

    PubMed

    Hamil, Lindsey M; Mennito, Anthony S; Renn, Walter G; Vuthiganon, Jompobe

    2014-10-01

    The aim of this study was to evaluate dental students' opinions regarding the utilization of a new grading software program for student self-assessment and a faculty-grading tool in a preclinical course. Using surface mapping technology, this program, called E4D Compare, yields a digital model of a student's preparation that is color-coded to show deficient areas. The program has now been used for two years at the James B. Edwards College of Dental Medicine at the Medical University of South Carolina, and the students previously assessed with E4D Compare have now entered into the dental clinics. For this study, students were asked to complete an anonymous survey for the investigators to evaluate students' attitudes and opinions on the effectiveness of this software in their preclinical courses to determine if this type of feedback helped them develop clinical skills. The survey also sought to collect students' opinions on the traditional objective criteria-based grading system. The survey was distributed to all members of the Classes of 2014 and 2015; it yielded a 59 percent response rate for the two classes, with a total of eighty-one students responding. Overall, the majority of students preferred the E4D Compare grading system over traditional hand-grading methods. The grading system provided instant, objective, and visual feedback that allowed students to easily see where their deficiencies were and encouraged them to work towards an ideal final product. PMID:25281676

  13. Wastewater-Based Epidemiology of Stimulant Drugs: Functional Data Analysis Compared to Traditional Statistical Methods

    PubMed Central

    Salvatore, Stefania; Bramness, Jørgen Gustav; Reid, Malcolm J.; Thomas, Kevin Victor; Harman, Christopher; Røislien, Jo

    2015-01-01

    Background Wastewater-based epidemiology (WBE) is a new methodology for estimating the drug load in a population. Simple summary statistics and specification tests have typically been used to analyze WBE data, comparing differences between weekday and weekend loads. Such standard statistical methods may, however, overlook important nuanced information in the data. In this study, we apply functional data analysis (FDA) to WBE data and compare the results to those obtained from more traditional summary measures. Methods We analysed temporal WBE data from 42 European cities, using sewage samples collected daily for one week in March 2013. For each city, the main temporal features of two selected drugs were extracted using functional principal component (FPC) analysis, along with simpler measures such as the area under the curve (AUC). The individual cities’ scores on each of the temporal FPCs were then used as outcome variables in multiple linear regression analysis with various city and country characteristics as predictors. The results were compared to those of functional analysis of variance (FANOVA). Results The three first FPCs explained more than 99% of the temporal variation. The first component (FPC1) represented the level of the drug load, while the second and third temporal components represented the level and the timing of a weekend peak. AUC was highly correlated with FPC1, but other temporal characteristic were not captured by the simple summary measures. FANOVA was less flexible than the FPCA-based regression, and even showed concordance results. Geographical location was the main predictor for the general level of the drug load. Conclusion FDA of WBE data extracts more detailed information about drug load patterns during the week which are not identified by more traditional statistical methods. Results also suggest that regression based on FPC results is a valuable addition to FANOVA for estimating associations between temporal patterns and covariate information. PMID:26394227

  14. Analysis of interaction between tamoxifen and ctDNA in vitro by multi-spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Cai, Changqun; Chen, Xiaoming; Ge, Fei

    2010-07-01

    Multi-spectroscopic methods including resonance light scattering (RLS), ultraviolet spectra (UV), fluorescence spectra, 1H NMR spectroscopy, coupled with thermo-denaturation experiments were firstly used to study the interaction of antitumor drug tamoxifen (TMX) with calf thymus (ctDNA) in acetate buffer solutions (pH 4.55). The interaction of TMX with ctDNA could cause a significant enhancement of RLS intensity, the hyperchromic effect, red shift of absorption spectra and the fluorescence quenching of TMX, indicating that there is an inserting interaction between TMX and ctDNA. This inference was confirmed by 1H NMR spectroscopy. The chemical shift of the benzene proton changes significantly which indicates that TMX could insert into the base pairs of ctDNA. These studies are valuable for a better understanding the mode of TMX-ctDNA interaction further, which are important and useful for designing of new ctDNA targeted drug. And the antitumor drug TMX inserted directly into ctDNA in vitro, which can provide a lot of useful information to explore the development of new and highly effective anti-cancer drugs.

  15. Binding interaction of atorvastatin with bovine serum albumin: Spectroscopic methods and molecular docking.

    PubMed

    Wang, Qi; Huang, Chuan-Ren; Jiang, Min; Zhu, Ying-Yao; Wang, Jing; Chen, Jun; Shi, Jie-Hua

    2016-03-01

    The interaction of atorvastatin with bovine serum albumin (BSA) was investigated using multi-spectroscopic methods and molecular docking technique for providing important insight into further elucidating the store and transport process of atorvastatin in the body and the mechanism of action and pharmacokinetics. The experimental results revealed that the fluorescence quenching mechanism of BSA induced atorvastatin was a combined dynamic and static quenching. The binding constant and number of binding site of atorvastatin with BSA under simulated physiological conditions (pH=7.4) were 1.4110(5)M(-1) and about 1 at 310K, respectively. The values of the enthalpic change (?H(0)), entropic change (?S(0)) and Gibbs free energy (?G(0)) in the binding process of atorvastatin with BSA at 310K were negative, suggesting that the binding process of atorvastatin and BSA was spontaneous and the main interaction forces were van der Waals force and hydrogen bonding interaction. Moreover, atorvastatin was bound into the subdomain IIA (site I) of BSA, resulting in a slight change of the conformation of BSA. PMID:26688207

  16. Probing HSA-ionic liquid interactions by spectroscopic and molecular docking methods.

    PubMed

    Kumari, Meena; Maurya, Jitendra Kumar; Tasleem, Munazzah; Singh, Prashant; Patel, Rajan

    2014-09-01

    Herein, we report the interaction of synthesized pyrrolidinium based ionic liquid, N-butyl-N-methyl-2-oxopyrrolidinium bromide (BMOP) with human serum albumin (HSA). The BMOP was characterized by using (1)H NMR, (13)C NMR and FT-IR techniques. The critical micelle concentration (cmc) of BMOP was confirmed by surface tension, conductivity and contact angle measurements. The interactions between HSA and BMOP were studied by steady-state and time-resolved fluorescence, UV-visible, FT-IR spectroscopic and molecular docking methods. The steady-state fluorescence spectra showed that BMOP quenched the fluorescence of HSA through combined quenching mechanism. Corresponding thermodynamic parameters viz. Gibbs free energy change (?G), entropy change (?S) and enthalpy change (?H) illustrated that the binding process was spontaneous and entropy driven. It is also suggested that hydrophobic forces play a key role in the binding of BMOP to HSA. In addition, the pyrene probe analysis again suggests the involvement of hydrophobic interaction in HSA-BMOP complex formation. Surface tension profile showed that the cmc value of BMOP in the presence of HSA is higher than the cmc value of pure BMOP. The FT-IR results show a conformational change in the secondary structure of HSA upon the addition of BMOP. The molecular docking result indicated that BMOP binds with HSA at hydrophobic pocket domain IIA with hydrophobic and hydrogen bond interactions in which hydrophobic interactions are dominating. PMID:24911269

  17. Toxic interaction between acid yellow 23 and trypsin: spectroscopic methods coupled with molecular docking.

    PubMed

    Wang, Jing; Liu, Rutao; Qin, Pengfei

    2012-09-01

    Acid yellow 23 (AY23) is a pervasive azo dye used in many fields which is potentially harmful to the environment and human health. This paper studied the toxic effects of AY23 on trypsin by spectroscopic and molecular docking methods. The addition of AY23 effectively quenched the intrinsic fluorescence of trypsin via static quenching with association constants of K(290 K) = 3.67 10(5) L mol(-1) and K(310 K) = 1.83 10(5) L mol(-1). The calculated thermodynamic parameters conformed that AY23 binds to trypsin predominantly via electrostatic forces with one binding site. Conformational investigations indicated the skeletal structure of trypsin unfolded and the microenvironment of tryptophan changed with the addition of AY23. Molecular docking study showed that AY23 interacted with the His 57 and Lys 224 residue of trypsin and led to the inhibition of enzyme activity. This study offers a more comprehensive picture of AY23-trypsin interaction and indicates their interaction may perform toxic effects within the organism. PMID:22807329

  18. Dissection of the binding of hydrogen peroxide to trypsin using spectroscopic methods and molecular modeling.

    PubMed

    Song, Wei; Yu, Zehua; Hu, Xinxin; Liu, Rutao

    2015-02-25

    Studies on the effects of environmental pollutants to protein in vitro has become a global attention. Hydrogen peroxide (H2O2) is used as an effective food preservative and bleacher in industrial production. The toxicity of H2O2 to trypsin was investigated by multiple spectroscopic techniques and the molecular docking method at the molecular level. The intrinsic fluorescence of trypsin was proved to be quenched in a static process based on the results of fluorescence lifetime experiment. Hydrogen bonds interaction and van der Waals forces were the main force to generate the trypsin-H2O2 complex on account of the negative ?H(0) and ?S(0). The binding of H2O2 changed the conformational structures and internal microenvironment of trypsin illustrated by UV-vis absorption, fluorescence, synchronous fluorescence, three-dimensional (3D) fluorescence and circular dichroism (CD) results. However, the binding site was far away from the active site of trypsin and the trypsin activity was only slightly affected by H2O2, which was further explained by molecular docking investigations. PMID:25228036

  19. Dissection of the binding of hydrogen peroxide to trypsin using spectroscopic methods and molecular modeling

    NASA Astrophysics Data System (ADS)

    Song, Wei; Yu, Zehua; Hu, Xinxin; Liu, Rutao

    2015-02-01

    Studies on the effects of environmental pollutants to protein in vitro has become a global attention. Hydrogen peroxide (H2O2) is used as an effective food preservative and bleacher in industrial production. The toxicity of H2O2 to trypsin was investigated by multiple spectroscopic techniques and the molecular docking method at the molecular level. The intrinsic fluorescence of trypsin was proved to be quenched in a static process based on the results of fluorescence lifetime experiment. Hydrogen bonds interaction and van der Waals forces were the main force to generate the trypsin-H2O2 complex on account of the negative ΔH0 and ΔS0. The binding of H2O2 changed the conformational structures and internal microenvironment of trypsin illustrated by UV-vis absorption, fluorescence, synchronous fluorescence, three-dimensional (3D) fluorescence and circular dichroism (CD) results. However, the binding site was far away from the active site of trypsin and the trypsin activity was only slightly affected by H2O2, which was further explained by molecular docking investigations.

  20. Binding interaction of atorvastatin with bovine serum albumin: Spectroscopic methods and molecular docking

    NASA Astrophysics Data System (ADS)

    Wang, Qi; Huang, Chuan-ren; Jiang, Min; Zhu, Ying-yao; Wang, Jing; Chen, Jun; Shi, Jie-hua

    2016-03-01

    The interaction of atorvastatin with bovine serum albumin (BSA) was investigated using multi-spectroscopic methods and molecular docking technique for providing important insight into further elucidating the store and transport process of atorvastatin in the body and the mechanism of action and pharmacokinetics. The experimental results revealed that the fluorescence quenching mechanism of BSA induced atorvastatin was a combined dynamic and static quenching. The binding constant and number of binding site of atorvastatin with BSA under simulated physiological conditions (pH = 7.4) were 1.41 × 105 M- 1 and about 1 at 310 K, respectively. The values of the enthalpic change (ΔH0), entropic change (ΔS0) and Gibbs free energy (ΔG0) in the binding process of atorvastatin with BSA at 310 K were negative, suggesting that the binding process of atorvastatin and BSA was spontaneous and the main interaction forces were van der Waals force and hydrogen bonding interaction. Moreover, atorvastatin was bound into the subdomain IIA (site I) of BSA, resulting in a slight change of the conformation of BSA.

  1. Estimation of ?- and ?-donor properties of heterocyclic thioamides by spectroscopic and magnetic resonance methods.

    PubMed

    Chernov'yants, Margarita S; Khohlov, Evgeniy V; Bondarenko, Gennadiy I; Burykin, Igor V

    2011-10-15

    The charge-transfer complexes (CTC) of few thioamide: 1-methylimidazoline-2-thione (MMI), 3-methyl-1-ethoxycarbonilimidazoline-2-thione (Carb), 5-methylbenzimidazoline-2-thione (BIZ), benzothiazoline-2-thione (BTZ), benzoxazoline-2-thione (BOZ) as ?-donors and diiodine as ?-acceptor were studied by spectroscopic methods (UV/Vis, (1)H NMR). CTC formation constants of thioamides with diiodine were determined using the function of the average-iodine number. The charge-transfer complexes of thioamides as ?-donors with tetracyanoethylene (TCNE) as ?-electron acceptor, were studied by UV-spectroscopy in dichloromethane and chloroform solutions. The mechanism of interaction MMI and Carb with TCNE have been studied by EPR spectroscopy. Spectral characteristics and formation constants are discussed in the terms of electron donor affinity of thioamides and the nature of the organic solvent used. The ionization potentials of donors were estimated from the CT transition energies of their complexes. The photolytic equilibrium constants of five thioamides are determined using pH-metric titrations. PMID:21788156

  2. Estimation of ?- and ?-donor properties of heterocyclic thioamides by spectroscopic and magnetic resonance methods

    NASA Astrophysics Data System (ADS)

    Chernov'yants, Margarita S.; Khohlov, Evgeniy V.; Bondarenko, Gennadiy I.; Burykin, Igor V.

    2011-10-01

    The charge-transfer complexes (CTC) of few thioamide: 1-methylimidazoline-2-thione (MMI), 3-methyl-1-ethoxycarbonilimidazoline-2-thione (Carb), 5-methylbenzimidazoline-2-thione (BIZ), benzothiazoline-2-thione (BTZ), benzoxazoline-2-thione (BOZ) as ?-donors and diiodine as ?-acceptor were studied by spectroscopic methods (UV/Vis, 1H NMR). CTC formation constants of thioamides with diiodine were determined using the function of the average-iodine number. The charge-transfer complexes of thioamides as ?-donors with tetracyanoethylene (TCNE) as ?-electron acceptor, were studied by UV-spectroscopy in dichloromethane and chloroform solutions. The mechanism of interaction MMI and Carb with TCNE have been studied by EPR spectroscopy. Spectral characteristics and formation constants are discussed in the terms of electron donor affinity of thioamides and the nature of the organic solvent used. The ionization potentials of donors were estimated from the CT transition energies of their complexes. The photolytic equilibrium constants of five thioamides are determined using pH-metric titrations.

  3. Structure of Scots pine defensin 1 by spectroscopic methods and computational modeling.

    PubMed

    Ermakova, Elena A; Faizullin, Dzhigangir A; Idiyatullin, Bulat Z; Khairutdinov, Bulat I; Mukhamedova, Liya N; Tarasova, Nadezhda B; Toporkova, Yana Y; Osipova, Elena V; Kovaleva, Valentina; Gogolev, Yuri V; Zuev, Yuriy F; Nesmelova, Irina V

    2016-03-01

    Defensins are part of the innate immune system in plants with activity against a broad range of pathogens, including bacteria, fungi and viruses. Several defensins from conifers, including Scots pine defensin 1 (Pinus sylvestris defensin 1, (PsDef1)) have shown a strong antifungal activity, however structural and physico-chemical properties of the family, needed for establishing the structure-dynamics-function relationships, remain poorly characterized. We use several spectroscopic and computational methods to characterize the structure, dynamics, and oligomeric state of PsDef1. The three-dimensional structure was modeled by comparative modeling using several programs (Geno3D, SWISS-MODEL, I-TASSER, Phyre(2), and FUGUE) and verified by circular dichroism (CD) and infrared (FTIR) spectroscopy. Furthermore, FTIR data indicates that the structure of PsDef1 is highly resistant to high temperatures. NMR diffusion experiments show that defensin exists in solution in the equilibrium between monomers and dimers. Four types of dimers were constructed using the HADDOCK program and compared to the known dimer structures of other plant defensins. Gaussian network model was used to characterize the internal dynamics of PsDef1 in monomer and dimer states. PsDef1 is a typical representative of P. sylvestris defensins and hence the results of this study are applicable to other members of the family. PMID:26687241

  4. Fluorescent-spectroscopic and imaging methods of investigations for diagnostics of head and neck tumors and control of PDT

    NASA Astrophysics Data System (ADS)

    Edinak, N. J.; Shental, Victor V.; Komov, D. V.; Vacoulovskaia, E. G.; Tabolinovskaia, T. D.; Abdullin, N. A.; Pustynsky, I.; Chatikchine, V. H.; Loschenov, Victor B.; Meerovich, Gennadii A.; Stratonnikov, Alexander A.; Linkov, Kirill G.; Agafonov, Vladimir I.; Zuravleva, V.; Lukjanets, Eugeny A.

    1996-01-01

    Methodics of PDT control and fluorescent-spectroscopic diagnostic of head and neck tumors and mammary gland cancer (nodular) with the use of Kr, He-Ne and semiconductor lasers and photosensitizer (PS) -- Al phtalocyanin (Photosense) are discussed. The results show that applied diagnostic methods permit us not only to identify the topology and malignancy of a tumor but also to correct PDT process directly during irradiation.

  5. Assessing the blinking state of fluorescent quantum dots in free solution by combining fluorescence correlation spectroscopy with ensemble spectroscopic methods.

    PubMed

    Dong, Chaoqing; Liu, Heng; Ren, Jicun

    2014-11-01

    The current method for investigating the blinking behavior is to immobilize quantum dots (QDs) in the matrix and then apply a fluorescent technique to monitor the fluorescent trajectories of individual QDs. So far, no method can be used to directly assess the blinking state of ensemble QDs in free solution. In this study, a new method was described to characterize the blinking state of the QDs in free solution by combining single molecule fluorescence correlation spectroscopy (FCS) with ensemble spectroscopic methods. Its principle is based on the observation that the apparent concentration of bright QDs obtained by FCS is less than its actual concentration measured by ensemble spectroscopic method due to the QDs blinking. We proposed a blinking index (Kblink) for characterizing the blinking state of QDs, and Kblink is defined as the ratio of the actual concentration (Cb,actual) measured by the ensemble spectroscopic method to the apparent concentration (Cb,app) of QDs obtained by FCS. The effects of certain factors such as laser intensity, growth process, and ligands on blinking of QDs were investigated. The Kblink data of QDs obtained were successfully used to characterize the blinking state of QDs and explain certain experimental results. PMID:25290853

  6. Safety issues and new rapid detection methods in traditional Chinese medicinal materials

    PubMed Central

    Wang, Lili; Kong, Weijun; Yang, Meihua; Han, Jianping; Chen, Shilin

    2015-01-01

    The safety of traditional Chinese medicine (TCM) is a major strategic issue that involves human health. With the continuous improvement in disease prevention and treatment, the export of TCM and its related products has increased dramatically in China. However, the frequent safety issues of Chinese medicine have become the ‘bottleneck’ impeding the modernization of TCM. It was proved that mycotoxins seriously affect TCM safety; the pesticide residues of TCM are a key problem in TCM international trade; adulterants have also been detected, which is related to market circulation. These three factors have greatly affected TCM safety. In this study, fast, highly effective, economically-feasible and accurate detection methods concerning TCM safety issues were reviewed, especially on the authenticity, mycotoxins and pesticide residues of medicinal materials. PMID:26579423

  7. Safety issues and new rapid detection methods in traditional Chinese medicinal materials.

    PubMed

    Wang, Lili; Kong, Weijun; Yang, Meihua; Han, Jianping; Chen, Shilin

    2015-01-01

    The safety of traditional Chinese medicine (TCM) is a major strategic issue that involves human health. With the continuous improvement in disease prevention and treatment, the export of TCM and its related products has increased dramatically in China. However, the frequent safety issues of Chinese medicine have become the 'bottleneck' impeding the modernization of TCM. It was proved that mycotoxins seriously affect TCM safety; the pesticide residues of TCM are a key problem in TCM international trade; adulterants have also been detected, which is related to market circulation. These three factors have greatly affected TCM safety. In this study, fast, highly effective, economically-feasible and accurate detection methods concerning TCM safety issues were reviewed, especially on the authenticity, mycotoxins and pesticide residues of medicinal materials. PMID:26579423

  8. The Use of Matrix Methods in the Modeling of Spectroscopic Data Sets

    PubMed Central

    Henry, Eric R.

    1997-01-01

    We describe a general approach to the model-based analysis of sets of spectroscopic data that is built upon the techniques of matrix analysis. A model hypothesis may often be expressed by writing a matrix of measured spectra as the product of a matrix of spectra of individual molecular species and a matrix of corresponding species populations as a function of experimental conditions. The modeling procedure then requires the simultaneous determination of a set of species spectra and a set of model parameters (from which the populations are derived), such that this product yields an optimal description of the measured spectra. This procedure may be implemented as an optimization problem in the space of the (possibly nonlinear) model parameters alone, coupled with the efficient solution of a corollary linear optimization problem using matrix decomposition methods to obtain a set of species spectra corresponding to any set of model parameters. Known species spectra, as well as other information and assumptions about spectral shapes, may be incorporated into this general framework, using parametrized analytical functional forms and basis-set techniques. The method by which assumed relationships between global features (e.g., peak positions) of different species spectra may be enforced in the modeling without otherwise specifying the shapes of the spectra will be shown. We also consider the effect of measurement errors on this approach and suggest extensions of the matrix-based least-squares procedures applicable to situations in which measurement errors may not be assumed to be normally distributed. A generalized analysis procedure is introduced for cases in which the species spectra vary with experimental conditions. PMID:9017194

  9. Methodical study on plaque characterization using integrated vascular ultrasound, strain and spectroscopic photoacoustic imaging

    NASA Astrophysics Data System (ADS)

    Graf, Iulia M.; Su, Jimmy; Yeager, Doug; Amirian, James; Smalling, Richard; Emelianov, Stanislav

    2011-03-01

    Carotid atherosclerosis has been identified as a potential risk factor for cerebrovascular events, but information about its direct effect on the risk of recurrent stroke is limited due to incomplete diagnosis. The combination of vascular ultrasound, strain rate and spectroscopic photoacoustics could improve the timely diagnosis of plaque status and risk of rupturing. Current ultrasound techniques can noninvasively image the anatomy of carotid arteries. The spatio-temporal variation in displacement of different regions within the arterial wall can be derived from ultrasound radio frequency data; therefore an ultrasound based strain rate imaging modality can be used to reveal changes in arterial mechanical properties. Additionally, spectroscopic photoacoustic imaging can provide information on the optical absorption properties of arterial tissue and it can be used to identify the location of specific tissue components, such as lipid pools. An imaging technique combining ultrasound, strain rate and spectroscopic photoacoustics was tested on an excised atherosclerotic rabbit aorta. The ultrasound image illustrates inhomogeneities in arterial wall thickness, the strain rate indicates the arterial segment with reduced elasticity and the spectroscopic photoacoustic image illustrates the accumulation of lipids. The results demonstrated that ultrasound, strain rate and spectroscopic photoacoustic imaging are complementary. Thus the integration of the three imaging modalities advances the characterization of atherosclerotic plaques.

  10. Importance of Tissue Preparation Methods in FTIR Micro-Spectroscopical Analysis of Biological Tissues: ‘Traps for New Users’

    PubMed Central

    Zohdi, Vladislava; Whelan, Donna R.; Wood, Bayden R.; Pearson, James T.; Bambery, Keith R.; Black, M. Jane

    2015-01-01

    Fourier Transform Infrared (FTIR) micro-spectroscopy is an emerging technique for the biochemical analysis of tissues and cellular materials. It provides objective information on the holistic biochemistry of a cell or tissue sample and has been applied in many areas of medical research. However, it has become apparent that how the tissue is handled prior to FTIR micro-spectroscopic imaging requires special consideration, particularly with regards to methods for preservation of the samples. We have performed FTIR micro-spectroscopy on rodent heart and liver tissue sections (two spectroscopically very different biological tissues) that were prepared by desiccation drying, ethanol substitution and formalin fixation and have compared the resulting spectra with that of fully hydrated freshly excised tissues. We have systematically examined the spectra for any biochemical changes to the native state of the tissue caused by the three methods of preparation and have detected changes in infrared (IR) absorption band intensities and peak positions. In particular, the position and profile of the amide I, key in assigning protein secondary structure, changes depending on preparation method and the lipid absorptions lose intensity drastically when these tissues are hydrated with ethanol. Indeed, we demonstrate that preserving samples through desiccation drying, ethanol substitution or formalin fixation significantly alters the biochemical information detected using spectroscopic methods when compared to spectra of fresh hydrated tissue. It is therefore imperative to consider tissue preparative effects when preparing, measuring, and analyzing samples using FTIR spectroscopy. PMID:25710811

  11. Fast proton spectroscopic imaging using steady-state free precession methods.

    PubMed

    Dreher, Wolfgang; Geppert, Christian; Althaus, Matthias; Leibfritz, Dieter

    2003-09-01

    Various pulse sequences for fast proton spectroscopic imaging (SI) using the steady-state free precession (SSFP) condition are proposed. The sequences use either only the FID-like signal S(1), only the echo-like signal S(2), or both signals in separate but adjacent acquisition windows. As in SSFP imaging, S(1) and S(2) are separated by spoiler gradients. RF excitation is performed by slice-selective or chemical shift-selective pulses. The signals are detected in absence of a B(0) gradient. Spatial localization is achieved by phase-encoding gradients which are applied prior to and rewound after each signal acquisition. Measurements with 2D or 3D spatial resolution were performed at 4.7 T on phantoms and healthy rat brain in vivo allowing the detection of uncoupled and J-coupled spins. The main advantages of SSFP based SI are the short minimum total measurement time (T(min)) and the high signal-to-noise ratio per unit measurement time (SNR(t)). The methods are of particular interest at higher magnetic field strength B(0), as TR can be reduced with increasing B(0) leading to a reduced T(min) and an increased SNR(t). Drawbacks consist of the limited spectral resolution, particularly at lower B(0), and the dependence of the signal intensities on T(1) and T(2). Further improvements are discussed including optimized data processing and signal detection under oscillating B(0) gradients leading to a further reduction in T(min). PMID:12939751

  12. Comparison of hydraulic tomography with traditional methods at a highly heterogeneous site.

    PubMed

    Berg, Steven J; Illman, Walter A

    2015-01-01

    Over the past several decades, different groundwater modeling approaches of various complexities and data use have been developed. A recently developed approach for mapping hydraulic conductivity (K) and specific storage (Ss ) heterogeneity is hydraulic tomography, the performance of which has not been compared to other more "traditional" methods that have been utilized over the past several decades. In this study, we compare seven methods of modeling heterogeneity which are (1) kriging, (2) effective parameter models, (3) transition probability/Markov Chain geostatistics models, (4) geological models, (5) stochastic inverse models conditioned to local K data, (6) hydraulic tomography, and (7) hydraulic tomography conditioned to local K data using data collected in five boreholes at a field site on the University of Waterloo (UW) campus, in Waterloo, Ontario, Canada. The performance of each heterogeneity model is first assessed during model calibration. In particular, the correspondence between simulated and observed drawdowns is assessed using the mean absolute error norm, (L1 ), mean square error norm (L2 ), and correlation coefficient (R) as well as through scatterplots. We also assess the various models on their ability to predict drawdown data not used in the calibration effort from nine pumping tests. Results reveal that hydraulic tomography is best able to reproduce these tests in terms of the smallest discrepancy and highest correlation between simulated and observed drawdowns. However, conditioning of hydraulic tomography results with permeameter K data caused a slight deterioration in accuracy of drawdown predictions which suggests that data integration may need to be conducted carefully. PMID:24428358

  13. Mapping stream habitats with a global positioning system: Accuracy, precision, and comparison with traditional methods

    USGS Publications Warehouse

    Dauwalter, D.C.; Fisher, W.L.; Belt, K.C.

    2006-01-01

    We tested the precision and accuracy of the Trimble GeoXT??? global positioning system (GPS) handheld receiver on point and area features and compared estimates of stream habitat dimensions (e.g., lengths and areas of riffles and pools) that were made in three different Oklahoma streams using the GPS receiver and a tape measure. The precision of differentially corrected GPS (DGPS) points was not affected by the number of GPS position fixes (i.e., geographic location estimates) averaged per DGPS point. Horizontal error of points ranged from 0.03 to 2.77 m and did not differ with the number of position fixes per point. The error of area measurements ranged from 0.1% to 110.1% but decreased as the area increased. Again, error was independent of the number of position fixes averaged per polygon corner. The estimates of habitat lengths, widths, and areas did not differ when measured using two methods of data collection (GPS and a tape measure), nor did the differences among methods change at three stream sites with contrasting morphologies. Measuring features with a GPS receiver was up to 3.3 times faster on average than using a tape measure, although signal interference from high streambanks or overhanging vegetation occasionally limited satellite signal availability and prolonged measurements with a GPS receiver. There were also no differences in precision of habitat dimensions when mapped using a continuous versus a position fix average GPS data collection method. Despite there being some disadvantages to using the GPS in stream habitat studies, measuring stream habitats with a GPS resulted in spatially referenced data that allowed the assessment of relative habitat position and changes in habitats over time, and was often faster than using a tape measure. For most spatial scales of interest, the precision and accuracy of DGPS data are adequate and have logistical advantages when compared to traditional methods of measurement. ?? 2006 Springer Science+Business Media, Inc.

  14. Comparing the Effects of Objective Structured Assessment of Technical Skills (OSATS) and Traditional Method on Learning of Students

    PubMed Central

    Mansoorian, Mohammad Reza; Hosseiny, Marzeih Sadat; Khosravan, Shahla; Alami, Ali; Alaviani, Mehri

    2015-01-01

    Background: Despite the benefits of the objective structured assessment of technical skills (OSATS) and it appropriateness for evaluating clinical abilities of nursing students , few studies are available on the application of this method in nursing education. Objectives: The purpose of this study was to compare the effect of using OSATS and traditional methods on the students learning. We also aimed to signify students views about these two methods and their views about the scores they received in these methods in a medical emergency course. Patients and Methods: A quasi-experimental study was performed on 45 first semester students in nursing and medical emergencies passing a course on fundamentals of practice. The students were selected by a census method and evaluated by both the OSATS and traditional methods. Data collection was performed using checklists prepared based on the text book of nursing procedures checklists published by Iranian nursing organization and a questionnaire containing learning rate and students estimation of their received scores. Descriptive statistics as well as paired t-test and independent samples t-test were used in data analysis. Results: The mean of students score in OSATS was significantly higher than their mean score in traditional method (P = 0.01). Moreover, the mean of self-evaluation score after the traditional method was relatively the same as the score the students received in the exam. However, the mean of self-evaluation score after the OSATS was relatively lower than the scores the students received in the OSATS exam. Most students believed that OSATS can evaluate a wide range of students knowledge and skills compared to traditional method. Conclusions: Results of this study indicated the better effect of OSATS on learning and its relative superiority in precise assessment of clinical skills compared with the traditional evaluation method. Therefore, we recommend using this method in evaluation of students in practical courses. PMID:26339669

  15. Field camp: Using traditional methods to train the next generation of petroleum geologists

    USGS Publications Warehouse

    Puckette, J.O.; Suneson, N.H.

    2009-01-01

    The summer field camp experience provides many students with their best opportunity to learn the scientific process by making observations and collecting, recording, evaluating, and interpreting geologic data. Field school projects enhance student professional development by requiring cooperation and interpersonal interaction, report writing to communicate interpretations, and the development of project management skills to achieve a common goal. The field school setting provides students with the opportunity to observe geologic features and their spatial distribution, size, and shape that will impact the student's future careers as geoscientists. The Les Huston Geology Field Camp (a.k.a. Oklahoma Geology Camp) near Ca??on City, Colorado, focuses on time-tested traditional methods of geological mapping and fieldwork to accomplish these goals. The curriculum consists of an introduction to field techniques (pacing, orienteering, measuring strike and dip, and using a Jacob's staff), sketching outcrops, section measuring (one illustrating facies changes), three mapping exercises (of increasing complexity), and a field geophysics project. Accurate rock and contact descriptions are emphasized, and attitudes and contacts are mapped in the field. Mapping is done on topographic maps at 1:12,000 and 1:6000 scales; air photos are provided. Global positioning system (GPS)-assisted mapping is allowed, but we insist that locations be recorded in the field and confirmed using visual observations. The course includes field trips to the Cripple Creek and Leadville mining districts, Floris-sant/Guffey volcano area, Pikes Peak batholith, and the Denver Basin. Each field trip is designed to emphasize aspects of geology that are not stressed in the field exercises. Students are strongly encouraged to accurately describe geologic features and gather evidence to support their interpretations of the geologic history. Concise reports are a part of each major exercise. Students are grouped into teams to (1) introduce the team concept and develop interpersonal skills that are fundamental components of many professions, (2) ensure safety, and (3) mix students with varying academic backgrounds and physical strengths. This approach has advantages and disadvantages. Students with academic strengths in specific areas assist those with less experience, thereby becoming engaged in the teaching process. However, some students contribute less to fi nal map projects than others, and assigning grades to individual team members can be diffi cult. The greatest challenges we face involve group dynamics and student personalities. We continue to believe that traditional fi eld methods, aided by (but not relying upon) new technologies, are the key to constructing and/or interpreting geologic maps. The requirement that students document fi eld evidence using careful observations teaches skills that will be benefi cial throughout their professional careers. ??2009 The Geological Society of America. All rights reserved.

  16. Introduction of the treatment method of Thai traditional medicine: its validity and future perspectives.

    PubMed

    Disayavanish, C; Disayavanish, P

    1998-12-01

    Thai traditional medicine is one of the most valuable heritages handed down from Thai ancestors. In spite of increasing popularity of Western modern medicine, Thai traditional medicine is still widely used in taking care of health in daily life especially among the rural Thais. For the past decade, the government and private organizations have worked in collaboration to restore the values and popularity of Thai traditional medicine. Recently, the Ministry of Public Health has promoted the use of herbal medicine, and the Center for Herbal Information has collected data and performed scientific studies on this matter. Thai Massage Restoration Project has also revised the text on Thai traditional massage, which is now widely practised. The future prospects of Thai traditional medicine are rather positive because the Foundation for Restoring Thai Traditional Medicine and the College of Ayurvedic Medicine have the program and curriculum to produce personnel on traditional medicine. They have also attempted to integrate the basic knowledge of Western medicine into the study and practice of Thai traditional medicine. PMID:9895186

  17. Method Evaluation: Coupling of Geochemical Proxies with Traditional Paleoecological Indicators in Marsh Sediments

    NASA Astrophysics Data System (ADS)

    Sritrairat, S.; Kenna, T. C.; Peteet, D. M.

    2009-12-01

    Paleoclimatic and paleoecological research in estuaries is very important for understanding both marine and terrestrial responses to climate change. Marsh environments, characterized by high accumulation rates of up to 1 cm/yr and minimal mixing, offer the potential to obtain good quality paleo-records. The Hudson River Estuary in New York is an ideal study location as the estuary functions for millions of people and climate change directly affects New York City. The traditional method of paleoclimatic analysis in marshes includes the analysis of pollen, spores, and macrofossils (i.e. fossil seeds, leaves, and foraminifera) as well as the measurement of sediment physical properties. However, palynological analysis is very time consuming, making it difficult to analyze sediment cores at high resolution and with robust spatial coverage to gain a regional perspective. We are developing a new rapid analysis that provides a more efficient paleoclimate technique for marsh sediments, using X-ray fluorescence with a field portable analyzer. However, the use of geochemical proxies can be complicated by the complexity of the governing ecology, highly variable matrix, and the organic-rich nature of the sediments. We will discuss the potential and limitation of the method, including the calibration of the method to analyze wet and dry marsh sediments. We will present a comparison of elemental distribution and elemental ratio profiles with pollen, macrofossil, and sediment profiles during late Holocene from several Hudson Estuary marshes (i.e. Piermont Marsh, Iona Island Marsh, and Tivoli North Bay Marsh). Work to date suggests that geochemical proxies can be used to identify droughts, hydrological shifts, fires, and landscape alteration. Examples of key elements include Ti, K, and Zn. We will also present base-line modern analog study of the elemental composition of sediments originating from major tributaries of the Hudson Estuary and their application of sediment source indicators and hydrological changes in geological records.

  18. Contemporary Chinese pulse diagnosis: a modern interpretation of an ancient and traditional method.

    PubMed

    Bilton, Karen; Hammer, Leon; Zaslawski, Chris

    2013-10-01

    Contemporary Chinese pulse diagnosis (CCPD) is a system of pulse diagnosis utilized by Dr. John He Feng Shen, OMD, and documented by Dr. Leon Hammer, MD, in the book Chinese Pulse Diagnosis, A Contemporary Approach. It is the traditional method of the Ding medical lineage from the Shanghai region and dates to the 15th century in Chinese language texts. The fundamentals of this system are, however, much older and can be directly traced to the Neijing Suwen. Having been passed from the last direct inheritor of Ding knowledge (Dr. Shen) to modern practitioners of Chinese medicine by way of Dr. Hammer and his students, it represents an important system of advanced diagnosis. Although modern diagnostic technology provides very sophisticated diagnoses, for these instruments to be effective, the disease process must already have a physical manifestation. CCPD, on the other hand, provides the earliest warnings of physiological processes, which if left unchecked may result in the subsequent appearance of a disease. This article describes the derivation and the principles of this system of pulse diagnosis and explores its successful integration into the modern practice of Chinese medicine. PMID:24139459

  19. Video-based Learning Versus Traditional Method for Preclinical Course of Complete Denture Fabrication

    PubMed Central

    Fayaz, Amir; Mazahery, Azita; Hosseinzadeh, Mohammad; Yazdanpanah, Samane

    2015-01-01

    Statement of the Problem Advances in computer science and technology allow the instructors to use instructional multimedia programs to enhance the process of learning for dental students. Purpose The purpose of this study was to determine the effect of a new educational modality by using videotapes on the performance of dental students in preclinical course of complete denture fabrication. Materials and Method This quasi-experimental study was performed on 54 junior dental students in Shahid Beheshti University of Medical Sciences (SBMU). Twenty-five and 29 students were evaluated in two consecutive semesters as controls and cases, respectively for the same course. The two groups were matched in terms of "knowledge about complete denture fabrication" and "basic dental skills" using a written test and a practical exam, respectively. After the intervention, performance and clinical skills of students were assessed in 8 steps. Eventually, a post-test was carried out to find changes in knowledge and skills of students in this regard. Results In the two groups with the same baseline level of knowledge and skills, independent T-test showed that students in the test group had a significantly superior performance in primary impression taking (p= 0.001) and primary cast fabrication (p= 0.001). In terms of anterior teeth set up, students in the control group had a significantly better performance (p= 0.001). Conclusion Instructional videotapes can aid in teaching fabrication of complete denture and are as effective as the traditional teaching system. PMID:26106631

  20. Application methods of infrared thermal images in the health care field of traditional Chinese medicine

    NASA Astrophysics Data System (ADS)

    Li, Ziru; Zhang, Xusheng

    2008-12-01

    Infrared thermal imaging (ITI) is the potential imaging technique for the health care field of traditional Chinese medicine (TCM). Successful application demands obeying the characteristics and regularity of the ITI of human body and designing rigorous trials. First, the influence of time must be taken into account as the ITI of human body varies with time markedly. Second, relative magnitude is preferred to be the index of the image features. Third, scatter diagrams and the method of least square could present important information for evaluating the health care effect. A double-blind placebo-controlled randomized trial was undertaken to study the influences of Shengsheng capsule, one of the TCM health food with immunity adjustment function, on the ITI of human body. The results showed that the effect of Shengsheng capsule to people with weak constitution or in the period of being weak could be reflected objectively by ITI. The relative efficacy rate was 81.3% for the trial group and 30.0% for the control group, there was significant difference between the two groups (P=0.003). So the sensitivity and objectivity of ITI are of great importance to the health care field of TCM.

  1. Assessing Knowledge Retention of an Immersive Serious Game vs. a Traditional Education Method in Aviation Safety.

    PubMed

    Chittaro, Luca; Buttussi, Fabio

    2015-04-01

    Thanks to the increasing availability of consumer head-mounted displays, educational applications of immersive VR could now reach to the general public, especially if they include gaming elements (immersive serious games). Safety education of citizens could be a particularly promising domain for immersive serious games, because people tend not to pay attention to and benefit from current safety materials. In this paper, we propose an HMD-based immersive game for educating passengers about aviation safety that allows players to experience a serious aircraft emergency with the goal of surviving it. We compare the proposed approach to a traditional aviation safety education method (the safety card) used by airlines. Unlike most studies of VR for safety knowledge acquisition, we do not focus only on assessing learning immediately after the experience but we extend our attention to knowledge retention over a longer time span. This is a fundamental requirement, because people need to retain safety procedures in order to apply them when faced with danger. A knowledge test administered before, immediately after and one week after the experimental condition showed that the immersive serious game was superior to the safety card. Moreover, subjective as well as physiological measurements employed in the study showed that the immersive serious game was more engaging and fear-arousing than the safety card, a factor that can contribute to explain the obtained superior retention, as we discuss in the paper. PMID:26357103

  2. Exploring the Ligand-Protein Networks in Traditional Chinese Medicine: Current Databases, Methods, and Applications

    PubMed Central

    Zhao, Mingzhu; Wei, Dong-Qing

    2013-01-01

    The traditional Chinese medicine (TCM), which has thousands of years of clinical application among China and other Asian countries, is the pioneer of the “multicomponent-multitarget” and network pharmacology. Although there is no doubt of the efficacy, it is difficult to elucidate convincing underlying mechanism of TCM due to its complex composition and unclear pharmacology. The use of ligand-protein networks has been gaining significant value in the history of drug discovery while its application in TCM is still in its early stage. This paper firstly surveys TCM databases for virtual screening that have been greatly expanded in size and data diversity in recent years. On that basis, different screening methods and strategies for identifying active ingredients and targets of TCM are outlined based on the amount of network information available, both on sides of ligand bioactivity and the protein structures. Furthermore, applications of successful in silico target identification attempts are discussed in detail along with experiments in exploring the ligand-protein networks of TCM. Finally, it will be concluded that the prospective application of ligand-protein networks can be used not only to predict protein targets of a small molecule, but also to explore the mode of action of TCM. PMID:23818932

  3. Interobserver Reliability of Four Diagnostic Methods Using Traditional Korean Medicine for Stroke Patients

    PubMed Central

    Lee, Ju Ah; Kang, Byoung-Kab; Alraek, Terje

    2014-01-01

    Objective. The aim of this study is to evaluate the consistency of pattern identification (PI), a set of diagnostic indicators used by traditional Korean medicine (TKM) clinicians. Methods. A total of 168 stroke patients who were admitted into oriental medical university hospitals from June 2012 through January 2013 were included in the study. Using the PI indicators, each patient was independently diagnosed by two experts from the same department. Interobserver consistency was assessed by simple percentage agreement as well as by kappa and AC1 statistics. Results. Interobserver agreement on the PI indicators (for all patients) was generally high: pulse diagnosis signs (AC1 = 0.66–0.89); inspection signs (AC1 = 0.66–0.95); listening/smelling signs (AC1 = 0.67–0.88); and inquiry signs (AC1 = 0.62–0.94). Conclusion. In four examinations, there was moderate agreement between the clinicians on the PI indicators. To improve clinician consistency (e.g., in the diagnostic criteria used), it is necessary to analyze the reasons for inconsistency and to improve clinician training. PMID:25574181

  4. Comparison of traditional and molecular analytical methods for detecting biological agents in raw and drinking water following ultrafiltration

    USGS Publications Warehouse

    Francy, D.S.; Bushon, R.N.; Brady, A.M.G.; Bertke, E.E.; Kephart, C.M.; Likirdopulos, C.A.; Mailot, B.E.; Schaefer, F. W., III; Lindquist, H.D. Alan

    2009-01-01

    Aims: To compare the performance of traditional methods to quantitative polymerase chain reaction (qPCR) for detecting five biological agents in large-volume drinking-water samples concentrated by ultrafiltration (UF). Methods and Results: Drinking-water samples (100 l) were seeded with Bacillus anthracis, Cryptospordium parvum, Francisella tularensis, Salmonella Typhi, and Vibrio cholerae and concentrated by UF. Recoveries by traditional methods were variable between samples and between some replicates; recoveries were not determined by qPCR. Francisella tularensis and V. cholerae were detected in all 14 samples after UF, B. anthracis was detected in 13, and C. parvum was detected in 9 out of 14 samples. Numbers found by qPCR after UF were significantly or nearly related to those found by traditional methods for all organisms except for C. parvum. A qPCR assay for S. Typhi was not available. Conclusions: qPCR can be used to rapidly detect biological agents after UF as well as traditional methods, but additional work is needed to improve qPCR assays for several biological agents, determine recoveries by qPCR, and expand the study to other areas. Significance and Impact of the Study: To our knowledge, this is the first study to compare the use of traditional and qPCR methods to detect biological agents in large-volume drinking-water samples. ?? 2009 The Society for Applied Microbiology.

  5. Remote determination of exposure degree and iron concentration of lunar soils using VIS-NIR spectroscopic methods

    NASA Technical Reports Server (NTRS)

    Fischer, Erich M.; Pieters, Carle M.

    1994-01-01

    On the Moon, space weathering processes such as micrometeorite bombardment alter the optical properties of lunar soils. As a consequence, lunar soil optical properties are a function not only of composition, but of degree of exposure on the lunar surface as well. In order to accurately assess the compositional properties of the lunar surface using remotely acquired visible and near-infrared spectroscopic data, it is thus necessary either (1) to compare optical properties only of soils characterized by similar degrees of exposure or (2) to otherwise normalize or remove the optical effects due to exposure. Laboratory spectroscopic data for lunar soils are used to develop and test remote spectrocopic methods for determining degree of exposure and for distinguishing between the optical effects due to exposure and those due to composition. A method employing a ratio between reflectances within and outside of the 1 micrometer Fe(2+) crystal field absorption band was developed for remotely identifying highland soils that have reached a steady-state maturity. The relative optical properties of these soils are a function solely of composition and as such can be directly compared. Spectroscopic techniques for accurate quantitative determination of iron content for lunar highland soils are investigated as well. It is shown that approximations of the 1 micrometer Fe(2+) absorption band depth using few to several channel multispectral data or spectroscopic data of inadequate spectral range cannot be used with confidence for compositional analysis. However, band depth measurements derived from continuum-removed high spectral resolution data can be used to calculate the weight percent FeO and relative proportion of iron-bearing silicates in mature lunar highland and mare/highland mixture soils. A preliminary effort to calibrate telescopic band depth to laboratory soil measurements is described.

  6. A spectroscopic method for identifying terrestrial biocarbonates and application to Mars

    NASA Astrophysics Data System (ADS)

    Blanco, A.; Orofino, V.; D'Elia, M.; Fonti, S.; Mastandrea, A.; Guido, A.; Russo, F.

    2011-06-01

    Searching for traces of extinct and/or extant life on Mars is one of the major objectives for remote-sensing and in situ exploration of the planet. In previous laboratory works we have investigated the infrared spectral modifications induced by thermal processing on different carbonate samples, in the form of fresh shells and fossils of different ages, whose biotic origin is easily recognizable. The goal was to discriminate them from their abiotic counterparts. In general, it is difficult to identify biotic signatures, especially when the organisms inducing the carbonate precipitation have low fossilization potential (i.e. microbes, bacteria, archaea). A wide variety of microorganisms are implicated in carbonate genesis, and their direct characterization is very difficult to evaluate by traditional methods, both in ancient sedimentary systems and even in recent environments. In the present work we apply our analysis to problematic carbonate samples, in which there is no clear evidence of controlled or induced biomineralization. This analysis indicates a very likely biotic origin of the aragonite samples under study, in agreement with the conclusion previously reported by Guido et al. (2007) who followed a completely different approach based on a complex set of sedimentary, petrographic, geochemical and biochemical analyses. We show that our method is reliable for discriminating between biotic and abiotic carbonates, and therefore it is a powerful tool in the search for life on Mars in the next generation of space missions to the planet.

  7. GROUND WATER MONITORING AND SAMPLING: MULTI-LEVEL VERSUS TRADITIONAL METHODS – WHAT’S WHAT?

    EPA Science Inventory

    Recent studies have been conducted to evaluate different sampling techniques for determining VOC concentrations in groundwater. Samples were obtained using multi-level and traditional sampling techniques in three monitoring wells at the Raymark Superfund site in Stratford, CT. Ve...

  8. GROUND WATER MONITORING AND SAMPLING: MULTI-LEVEL VERSUS TRADITIONAL METHODS WHATS WHAT?

    EPA Science Inventory

    Recent studies have been conducted to evaluate different sampling techniques for determining VOC concentrations in groundwater. Samples were obtained using multi-level and traditional sampling techniques in three monitoring wells at the Raymark Superfund site in Stratford, CT. Ve...

  9. Accurate spectroscopic constants of the lowest two electronic states in S2 molecule with explicitly correlated method

    NASA Astrophysics Data System (ADS)

    Changli, Wei; Xiaomei, Zhang; Dajun, Ding; Bing, Yan

    2016-01-01

    A computational scheme for accurate spectroscopic constants was presented in this work and applied to the lowest two electronic states of sulfur dimer. A high-level ab initio calculation utilizing explicitly correlated multireference configuration interaction method (MRCI-F12) was performed to compute the potential energy curves (PECs) of the ground triplet and first excited singlet a1?g states of sulfur dimer with cc-pCVXZ-F12(X = T, Q) basis sets. The effects of Davidson modification, corevalence correlation correction, and scalar relativistic correction on the spectroscopic constants were examined. The vibrationrotation spectra of the two electronic states were provided. Our computational results show excellent agreement with existing available experimental values, and the errors of main spectroscopic constants are within 0.1% order of magnitude. The present computational scheme is cheap and accurate, which is expected for extensive investigations on the potential energy curves or surfaces of other molecular systems. Project supported by the National Natural Science Foundation of China (Grand No.11574114) and the Natural Science Foundation of Jilin Province, China (Grand No.20150101003JC).

  10. Chemical, Thermal and Spectroscopic Methods to Assess Biodegradation of Winery-Distillery Wastes during Composting

    PubMed Central

    Torres-Climent, A.; Gomis, P.; Martín-Mata, J.; Bustamante, M. A.; Marhuenda-Egea, F. C.; Pérez-Murcia, M. D.; Pérez-Espinosa, A.; Paredes, C.; Moral, R.

    2015-01-01

    The objective of this work was to study the co-composting process of wastes from the winery and distillery industry with animal manures, using the classical chemical methods traditionally used in composting studies together with advanced instrumental methods (thermal analysis, FT-IR and CPMAS 13C NMR techniques), to evaluate the development of the process and the quality of the end-products obtained. For this, three piles were elaborated by the turning composting system, using as raw materials winery-distillery wastes (grape marc and exhausted grape marc) and animal manures (cattle manure and poultry manure). The classical analytical methods showed a suitable development of the process in all the piles, but these techniques were ineffective to study the humification process during the composting of this type of materials. However, their combination with the advanced instrumental techniques clearly provided more information regarding the turnover of the organic matter pools during the composting process of these materials. Thermal analysis allowed to estimate the degradability of the remaining material and to assess qualitatively the rate of OM stabilization and recalcitrant C in the compost samples, based on the energy required to achieve the same mass losses. FT-IR spectra mainly showed variations between piles and time of sampling in the bands associated to complex organic compounds (mainly at 1420 and 1540 cm-1) and to nitrate and inorganic components (at 875 and 1384 cm-1, respectively), indicating composted material stability and maturity; while CPMAS 13C NMR provided semi-quantitatively partition of C compounds and structures during the process, being especially interesting their variation to evaluate the biotransformation of each C pool, especially in the comparison of recalcitrant C vs labile C pools, such as Alkyl /O-Alkyl ratio. PMID:26418458

  11. Designing clinical studies that take into account traditional East Asian medicine's systems and methods - with focus on pattern identification.

    PubMed

    Alraek, Terje

    2014-05-01

    This article is based on two presentations held at Chinese medicine conference in Rothenburg (2013), Germany and at the 19th Anniversary of Korean Institute of Oriental Medicine (KIOM) International Symposium of Current Research Trends in Traditional Medicine - Pattern of Identification (2013). In designing clinical studies, it is a research question that leads to appropriate study design. However, they are mostly diagnostic procedures and techniques that are the key points to reflect the application of systems and methods in all forms of medicine - traditional East Asian medicine (TEAM) is no exception. The challenges within TEAM based on research reflect in different systems of medicine/theories such as traditional Japanese acupuncture, traditional Korean acupuncture and traditional Chinese acupuncture. This diversity of medical systems and methods applied in East Asia seems to have been fruitful within the different countries and traditional medicines have found their places within the respective countries health systems. The existing diversity, from a clinician's point of view, may be viewed as a treasure when dealing with patients in the 'real world'. On the other hand, this diversity seems to challenge the scientific mind worldwide, especially when it comes to research. Hence, there is a gap between clinical practice and research. PMID:24788085

  12. Traditional and novel methods to assess and prevent chemotherapy-related cardiac dysfunction noninvasively.

    PubMed

    Schwartz, Ronald G; Jain, Diwakar; Storozynsky, Eugene

    2013-06-01

    The field of cardio-oncology is challenged to address an ever greater spectrum of cardiotoxicity associated with combination chemotherapy, greater dose intensity, extremes of age, and enhanced patient survival which exposes more protracted risk of developing congestive heart failure (CHF). Recent reports of chemotherapy-induced hypertension as a common adverse effect of angiogenesis inhibitors and immunosuppressants clarify the need for routine blood pressure (BP) monitoring and guideline-based management of hypertension as an integral strategy to preserve LV function. Serial monitoring of radionuclide left ventricular ejection fraction (LVEF) in adults and echocardiography in children continues to provide outcome based, cost-effective prevention of CHF in high risk patients receiving chemotherapy. To optimize treatment and monitoring strategies to eliminate late-onset LV dysfunction and CHF, traditional and novel candidate methods for assessment of chemotherapy-induced LV dysfunction are reviewed. These include serial assessment of LV volume indices by gated SPECT ERNA and gated SPECT MPI, 3D echocardiography and contrast 2D echocardiography; longitudinal strain imaging, diastolic functional parameters, (123)I-MIBG, (111)In-Antimyosin antibody imaging, and (99m)Tc-Annexin V apoptosis imaging, biomarkers including troponins and BNP; genetic markers, and both functional and tissue characterization techniques with T1 weighted and T2 weighted images with cardiac magnetic resonance imaging (CMR). In our quest to optimize strategies for long-term cancer survival and prevention of CHF for patients receiving chemotherapy, rigorous modality and guideline-specific clinical outcome trials are required. A new multi-modality monitoring approach is proposed, which integrates evidence-based strengths of CMR, echocardiography, ERNA, biomarkers, and BP management for surveillance and validation of cardiotoxicity and prevention of clinical heart failure in patients receiving a broad spectrum of cancer therapies. PMID:23572315

  13. Producing K indices by the interactive method based on the traditional hand-scaling methodology - preliminary results

    NASA Astrophysics Data System (ADS)

    Valach, Fridrich; Vczyov, Magdalna; Revallo, Milo

    2016-01-01

    This paper reports on an interactive computer method for producing K indices. The method is based on the traditional hand-scaling methodology that had been practised at Hurbanovo Geomagnetic Observatory till the end of 1997. Here, the performance of the method was tested on the data of the Kakioka Magnetic Observatory. We have found that in some ranges of the K-index values our method might be a beneficial supplement to the computer-based methods approved and endorsed by IAGA. This result was achieved for both very low (K=0) and high (K ? 5) levels of the geomagnetic activity. The method incorporated an interactive procedure of selecting quiet days by a human operator (observer). This introduces a certain amount of subjectivity, similarly as the traditional hand-scaling method.

  14. The Use Potential of Traditional Building Materials for the Realization of Structures by Modern Methods of Construction

    NASA Astrophysics Data System (ADS)

    Spišáková, Marcela; Mačková, Daniela

    2015-11-01

    The sustainable building has taken off in recent years with many investors looking for new and different methods of construction. The traditional building materials can be made out of natural materials, while others can help to lower energy costs of the occupant once built. Regardless of what the goal of the investor is, traditional building materials and their use is on the rise. The submitted paper provides an overview of natural building materials and possible modern building systems using these construction materials. Based on the questionnaire survey is defined the use potential of traditional building materials for the realization of the construction by methods of modern constructions and then are determined the drivers and barriers of traditional materials through using modern methods of construction. Considering the analysis of the achieved results, we can identify the gaps in the construction market in Slovakia and also to assess the perception of potential investors in the field of traditional building materials use, which is the purpose of submitted paper.

  15. A rapid Fourier-transform infrared (FTIR) spectroscopic method for direct quantification of paracetamol content in solid pharmaceutical formulations

    NASA Astrophysics Data System (ADS)

    Mallah, Muhammad Ali; Sherazi, Syed Tufail Hussain; Bhanger, Muhammad Iqbal; Mahesar, Sarfaraz Ahmed; Bajeer, Muhammad Ashraf

    2015-04-01

    A transmission FTIR spectroscopic method was developed for direct, inexpensive and fast quantification of paracetamol content in solid pharmaceutical formulations. In this method paracetamol content is directly analyzed without solvent extraction. KBr pellets were formulated for the acquisition of FTIR spectra in transmission mode. Two chemometric models: simple Beer's law and partial least squares employed over the spectral region of 1800-1000 cm-1 for quantification of paracetamol content had a regression coefficient of (R2) of 0.999. The limits of detection and quantification using FTIR spectroscopy were 0.005 mg g-1 and 0.018 mg g-1, respectively. Study for interference was also done to check effect of the excipients. There was no significant interference from the sample matrix. The results obviously showed the sensitivity of transmission FTIR spectroscopic method for pharmaceutical analysis. This method is green in the sense that it does not require large volumes of hazardous solvents or long run times and avoids prior sample preparation.

  16. Fiber optic spectroscopic digital imaging sensor and method for flame properties monitoring

    DOEpatents

    Zelepouga, Serguei A. (Hoffman Estates, IL); Rue, David M. (Chicago, IL); Saveliev, Alexei V. (Chicago, IL)

    2011-03-15

    A system for real-time monitoring of flame properties in combustors and gasifiers which includes an imaging fiber optic bundle having a light receiving end and a light output end and a spectroscopic imaging system operably connected with the light output end of the imaging fiber optic bundle. Focusing of the light received by the light receiving end of the imaging fiber optic bundle by a wall disposed between the light receiving end of the fiber optic bundle and a light source, which wall forms a pinhole opening aligned with the light receiving end.

  17. Spectroscopic methods for the determination of surface-active substances in water (a review)

    SciTech Connect

    Subbotina, E.I.; Dedkov, Yu.M.

    1987-12-01

    Synthetic surfactants, for their ability to mingle with and transform chemicals more toxic in nature such as petroleum products, oils, pesticides, and chlorinated hydrocarbons into substances that easily permeate and move through the hydrosphere into water reservoirs and other exposure pathways, pose a grave danger to water quality control. This paper reviews predominantly the spectrophotometric procedures available for monitoring these surfactants but also discusses fluorimetric, infrared spectroscopic, and atomic absorption procedures, and compares a wide range of solvents and reagents for the extraction and preparatory activation of the surfactants.

  18. Traditional versus Contemporary Goals and Methods in Accounting Education: Bridging the Gap with Cooperative Learning.

    ERIC Educational Resources Information Center

    Lindquist, Tim M.

    1995-01-01

    In groups, 49 accounting students completed a 5-week analysis of audit reporting issues using cooperative learning. Positive student reactions and achievement suggested that contemporary active learning approaches are compatible with the traditional accounting goal of preparing for the Certified Public Accountants examination. (SK)

  19. Comparison of Traditional Methods with 3D Computer Models in the Instruction of Hepatobiliary Anatomy

    ERIC Educational Resources Information Center

    Keedy, Alexander W.; Durack, Jeremy C.; Sandhu, Parmbir; Chen, Eric M.; O'Sullivan, Patricia S.; Breiman, Richard S.

    2011-01-01

    This study was designed to determine whether an interactive three-dimensional presentation depicting liver and biliary anatomy is more effective for teaching medical students than a traditional textbook format presentation of the same material. Forty-six medical students volunteered for participation in this study. Baseline demographic

  20. Biodegradability of Poly-3-hydroxybutyrate/Bacterial Cellulose Composites under Aerobic Conditions, Measured via Evolution of Carbon Dioxide and Spectroscopic and Diffraction Methods.

    PubMed

    Ruka, Dianne R; Sangwan, Parveen; Garvey, Christopher J; Simon, George P; Dean, Katherine M

    2015-08-18

    Poly-3-hydroxybutyrate (PHB) and bacterial cellulose (BC) are both natural polymeric materials that have the potential to replace traditional, nonrenewable polymers. In particular, the nanofibrillar form of bacterial cellulose makes it an effective reinforcement for PHB. Neat PHB, bacterial cellulose, and a composite of PHB/BC produced with 10 wt % cellulose were composted under accelerated aerobic test conditions, with biodegradability measured by the carbon dioxide evolution method, in conjunction with spectroscopic and diffraction methods to assess crystallinity changes during the biodegradation process. The PHB/BC composite biodegraded at a greater rate and extent than that of PHB alone, reaching 80% degradation after 30 days, whereas PHB did not reach this level of degradation until close to 50 days of composting. The relative crystallinity of PHB and PHB in the PHB/BC composite was found to increase in the initial weeks of degradation, with degradation occurring primarily in the amorphous region of the material and some recrystallization of the amorphous PHB. Small angle X-ray scattering indicates that the change in PHB crystallinity is accompanied by a change in morphology of semicrystalline lamellae. The increased rate of biodegradability suggests that these materials could be applicable to single-use applications and could rapidly biodegrade in compost on disposal. PMID:25763925

  1. Traditional healers and the potential for collaboration with the national tuberculosis programme in Vanuatu: results from a mixed methods study

    PubMed Central

    2014-01-01

    Background This study was conducted in the Pacific island nation of Vanuatu. Our objective was to assess knowledge, attitudes and practice of traditional healers who treat lung diseases and tuberculosis (TB), including their willingness to collaborate with the national TB programme. Methods This was a descriptive study using both qualitative and quantitative methods. Quantitative analysis was based on the responses provided to closed-ended questions, and we used descriptive analysis (frequencies) to describe the knowledge, attitudes and practice of the traditional healers towards TB. Qualitative analysis was based on open-ended questions permitting fuller explanations. We used thematic analysis and developed a posteriori inductive categories to draw original and unbiased conclusions. Results Nineteen traditional healers were interviewed; 18 were male. Fifteen of the healers reported treating short wind (a local term to describe lung, chest or breathing illnesses) which they attributed to food, alcohol, smoking or pollution from contact with menstrual blood, and a range of other physical and spiritual causes. Ten said that they would treat TB with leaf medicine. Four traditional healers said that they would not treat TB. Twelve of the healers had referred someone to a hospital for a strong wet-cough and just over half of the healers (9) reported a previous collaboration with the Government health care system. Eighteen of the traditional healers would be willing to collaborate with the national TB programme, with or without compensation. Conclusions Traditional healers in Vanuatu treat lung diseases including TB. Many have previously collaborated with the Government funded health care system, and almost all of them indicated a willingness to collaborate with the national TB programme. The engagement of traditional healers in TB management should be considered, using an evidence based and culturally sensitive approach. PMID:24758174

  2. Mining unusual and rare stellar spectra from large spectroscopic survey data sets using the outlier-detection method

    NASA Astrophysics Data System (ADS)

    Wei, Peng; Luo, Ali; Li, Yinbi; Pan, Jingchang; Tu, Liangping; Jiang, Bin; Kong, Xiao; Shi, Zhixin; Yi, Zhenping; Wang, Fengfei; Liu, Jie; Zhao, Yongheng

    2013-05-01

    The large number of spectra obtained from sky surveys such as the Sloan Digital Sky Survey (SDSS) and the survey executed by the Large sky Area Multi-Object fibre Spectroscopic Telescope (LAMOST, also called GuoShouJing Telescope) provide us with opportunities to search for peculiar or even unknown types of spectra. In response to the limitations of existing methods, a novel outlier-mining method, the Monte Carlo Local Outlier Factor (MCLOF), is proposed in this paper, which can be used to highlight unusual and rare spectra from large spectroscopic survey data sets. The MCLOF method exposes outliers automatically and efficiently by marking each spectrum with a number, i.e. using outlier index as a flag for an unusual and rare spectrum. The Local Outlier Factor (LOF) represents how unusual and rare a spectrum is compared with other spectra and the Monte Carlo method is used to compute the global LOF for each spectrum by randomly selecting samples in each independent iteration. Our MCLOF method is applied to over half a million stellar spectra (classified as STAR by the SDSS Pipeline) from the SDSS data release 8 (DR8) and a total of 37 033 spectra are selected as outliers with signal-to-noise ratio (S/N) ≥ 3 and outlier index ≥0.85. Some of these outliers are shown to be binary stars, emission-line stars, carbon stars and stars with unusual continuum. The results show that our proposed method can efficiently highlight these unusual spectra from the survey data sets. In addition, some relatively rare and interesting spectra are selected, indicating that the proposed method can also be used to mine rare, even unknown, spectra. The proposed method can be applicable not only to spectral survey data sets but also to other types of survey data sets. The spectra of all peculiar objects selected by our MCLOF method are available from a user-friendly website: http://sciwiki.lamost.org/Miningdr8/.

  3. The spectroscopic and electronic properties of dimethylpyrazole and its derivatives using the experimental and computational methods.

    PubMed

    Adeniyi, Adebayo A; Ajibade, Peter A

    2014-09-01

    In this paper the spectroscopic and the geometric properties of four ligands with pyrazole unit are studied at both experimental and computational levels. The computational results are perfectly in good agreement with the experimental results especially in terms of the IR, H-NMR and 13C-NMR shifts. The spectroscopic features as well as the computed properties help to establish the successful synthesis of ligands bdmpzm and bdmpza. The theoretical and the experimental IR and Raman significantly help in distinguishing the four ligands. The results show that the Raman spectral is better applicable in characterising the CH3 deformation, the C-H, CNN and CCNNout of the ligands but vibrations like N-H in dmpz and O-H, C=O in bdmpza are observed to be Raman inactive. A significant variations are observed among the two available * N atoms characterising the bidentate features of bdmpzm, bdmpza and bdcpzm which indicates a possible different affinities for metal coordination: Also the result suggest that bdmpza will be the best starting material for NLO application than other while bdcpzm is predicted to have potential of been a poor coordinating ligand. The computed variations in the properties of * N atoms that are the characteristic features of their power of coordination can be of immense help since these type of ligands have a wide application in transition metal coordination. PMID:25532317

  4. Evaluation of vibrational spectroscopic methods to identify and quantify multiple adulterants in herbal medicines.

    PubMed

    Rooney, Jeremy S; McDowell, Arlene; Strachan, Clare J; Gordon, Keith C

    2015-06-01

    To counter the growth of herbal medicines adulterated with pharmaceuticals crossing borders, rapid, inexpensive and non-destructive analytical techniques, that can handle complex matrices, are required. Since mid-infrared (MIR), near infrared (NIR) and Raman spectroscopic techniques meet these criteria, their performance in identifying adulterants in seized weightloss herbal medicines is definitively determined. Initially a validated high pressure liquid chromatography methodology was used for reference identification and quantification of the adulterants sibutramine H2O·HCl, fenfluramine HCl and phenolphthalein. Of 38 products, only sibutramine and phenolphthalein were detected by HPLC. The spectroscopic measurements showed Raman was ill-suited due to sample burning and emission while NIR lacked adulterant selectivity. Conversely, MIR demonstrated apt identification performance, which manifested as spectrally meaningful separation based on the presence and type of adulterant during principal component analysis (test set validated). Partial least squares regression models were constructed from the MIR training sets for sibutramine and phenolphthalein - both models fitted the training set data well. Average test set prediction errors were 0.8% for sibutramine and 2.2% for phenolphthalein over the respective concentration ranges of 1.7-11.7% and 0.9-34.4%. MIR is apposite for the screening of anorectic and laxative adulterants and is the most viable technique for wider adulterant screening in herbal medicines. PMID:25863375

  5. A Comparative Study on Power Point Presentation and Traditional Lecture Method in Material Understandability, Effectiveness and Attitude

    ERIC Educational Resources Information Center

    Sewasew, Daniel; Mengestle, Missaye; Abate, Gebeyehu

    2015-01-01

    The aim of this study was to compare PPT and traditional lecture method in material understandability, effectiveness and attitude among university students. Comparative descriptive survey research design was employed to answer the research questions raised. Four hundred and twenty nine participants were selected randomly using stratified sampling…

  6. A Comparison of Case Study and Traditional Teaching Methods for Improvement of Oral Communication and Critical-Thinking Skills

    ERIC Educational Resources Information Center

    Noblitt, Lynnette; Vance, Diane E.; Smith, Michelle L. DePoy

    2010-01-01

    This study compares a traditional paper presentation approach and a case study method for the development and improvement of oral communication skills and critical-thinking skills in a class of junior forensic science majors. A rubric for rating performance in these skills was designed on the basis of the oral communication competencies developed…

  7. A Comparison of Case Study and Traditional Teaching Methods for Improvement of Oral Communication and Critical-Thinking Skills

    ERIC Educational Resources Information Center

    Noblitt, Lynnette; Vance, Diane E.; Smith, Michelle L. DePoy

    2010-01-01

    This study compares a traditional paper presentation approach and a case study method for the development and improvement of oral communication skills and critical-thinking skills in a class of junior forensic science majors. A rubric for rating performance in these skills was designed on the basis of the oral communication competencies developed

  8. A Comparative Study on Power Point Presentation and Traditional Lecture Method in Material Understandability, Effectiveness and Attitude

    ERIC Educational Resources Information Center

    Sewasew, Daniel; Mengestle, Missaye; Abate, Gebeyehu

    2015-01-01

    The aim of this study was to compare PPT and traditional lecture method in material understandability, effectiveness and attitude among university students. Comparative descriptive survey research design was employed to answer the research questions raised. Four hundred and twenty nine participants were selected randomly using stratified sampling

  9. Traditional Mold Analysis Compared to a DNA-based Method of Mold Analysis with Applications in Asthmatics' Homes

    EPA Science Inventory

    Traditional environmental mold analysis is based-on microscopic observations and counting of mold structures collected from the air on a sticky surface or culturing of molds on growth media for identification and quantification. A DNA-based method of mold analysis called mol...

  10. Comparing new-technology passive warming versus traditional passive warming methods for optimizing perioperative body core temperature.

    PubMed

    Bender, Miriam; Self, Beverly; Schroeder, Ellen; Giap, Brandon

    2015-08-01

    Hypothermia puts surgical patients at risk for adverse outcomes. Traditional passive warming methods are mostly ineffective in reducing hypothermia. New-technology passive warming holds promise as an effective method for promoting and sustaining normothermia throughout surgery. The purpose of this retrospective cohort study was to compare the effectiveness of new-technology passive warming with traditional methods. We measured core body temperature at anesthesia induction and at the end of surgery for patients undergoing robotic-assisted prostatectomy/hysterectomy in the lithotomy position who received either new-technology passive warming (n= 30) or traditional linens and gel pads (n= 35). The traditionally warmed cohort had no change in temperature (35.9 C 0.6 C presurgery vs 35.9 C 0.7 C postsurgery; t= 0.47; P= .66). The intervention cohort showed a significant increase in temperature (35.75 C 0.52 C presurgery vs 36.30 C 0.53 C postsurgery; t= 4.64; P < .001). A repeated-measure analysis of variance adjusting for surgery duration and fluid administration confirmed the significance (F= 17.254; P < .001), suggesting that new-technology passive warming may effectively complement active warming to reduce perioperative hypothermia. PMID:26227528

  11. Inclusion interaction of chloramphenicol and heptakis (2,6-di- O-methyl)-?-cyclodextrin: Phase solubility and spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Shi, Jie-Hua; Zhou, Ya-fang

    2011-12-01

    The inclusion interaction between chloramphenicol and heptakis (2,6-di- O-methyl)-?-cyclodextrin (DMBCD) had been investigated by phase solubility and spectroscopic methods such as UV-vis spectroscopy, circular dichroism, Fourier transform infrared (FT-IR) spectroscopy, proton nuclear magnetic resonance spectroscopy ( 1H NMR) as well as 2D-ROESY spectra. Phase solubility analysis showed A L-type diagram with DMBCD, which suggested the formation of 1:1 inclusion complex of DMBCD with chloramphenicol. The estimated stability constant ( Ks) of the inclusion complex of chloramphenicol with DMBCD is 493 M -1 at 293 K. The solubility enhancement of chloramphenicol in the presence of DMBCD is stronger than that in the presence of ?-CD, HP-?-CD and M-?-CD. The results obtained by spectroscopic methods showed that the nitrophenyl moiety of chloramphenicol is deeply inserted into inner cavity of DMBCD from the narrow rim of DMBCD, which the inclusion model of chloramphenicol with DMBCD differs from that with ?-CD.

  12. Structural, spectroscopic, and magnetic properties of Eu3+-doped GdVO4 nanocrystals synthesized by a hydrothermal method.

    PubMed

    Szczeszak, Agata; Grzyb, Tomasz; ?niadecki, Zbigniew; Andrzejewska, Nina; Lis, Stefan; Matczak, Micha?; Nowaczyk, Grzegorz; Jurga, Stefan; Idzikowski, Bogdan

    2014-12-01

    New interesting aspects of the spectroscopic properties, magnetism, and method of synthesis of gadolinium orthovanadates doped with Eu(3+) ions are discussed. Gd(1-x)Eu(x)VO4 (x = 0, 0.05, 0.2) bifunctional luminescent materials with complex magnetic properties were synthesized by a microwave-assisted hydrothermal method. Products were formed in situ without previous precipitation. The crystal structures and morphologies of the obtained nanomaterials were analyzed by X-ray diffraction and transmission and scanning electron microscopy. Crystallographic data were analyzed using Rietveld refinement. The products obtained were nanocrystalline with average grain sizes of 70-80 nm. The qualitative and quantitative elemental composition as well as mapping of the nanocrystals was proved using energy-dispersive X-ray spectroscopy. The spectroscopic properties of red-emitting nanophosphors were characterized by their excitation and emission spectra and luminescence decays. Magnetic measurements were performed by means of vibrating sample magnetometry. GdVO4 and Gd0.8Eu0.2VO4 exhibited paramagnetic behavior with a weak influence of antiferromagnetic couplings between rare-earth ions. In the substituted sample, an additional magnetic contribution connected with the population of low-lying excited states of europium was observed. PMID:25383487

  13. Biophysical study on the interaction of ceftriaxone sodium with bovine serum albumin using spectroscopic methods.

    PubMed

    Pan, Jiongwei; Ye, Zaiting; Cai, Xiaoping; Wang, Liangxing; Cao, Zhuo

    2012-12-01

    The interaction of ceftriaxone sodium (CS), a cephalosporin antibiotic, with the major transport protein, bovine serum albumin (BSA), was investigated using different spectroscopic techniques such as fluorescence, circular dichroism (CD), and UV-vis spectroscopy. Values of binding parameters for BSA-CS interaction in terms of binding constant and number of binding sides were found to be 9.00 × 10(3), 3.24 × 10(3), and 2.30 × 10(3) M(-1) at 281, 301, and 321 K, respectively. Thermodynamic analysis of the binding data obtained at different temperatures showed that the binding process was spontaneous and was primarily mediated by van der Waals force or hydrogen bonding. CS binding to BSA caused secondary structural alterations in the protein as revealed by CD results. The distance between CS and Trp of BSA was determined as 3.23 nm according to the Förster resonance energy transfer theory. PMID:23169700

  14. Socio-economic comparison between traditional and improved cultivation methods in agroforestry systems, East Usambara Mountains, Tanzania.

    PubMed

    Reyes, Teija; Quiroz, Roberto; Msikula, Shija

    2005-11-01

    The East Usambara Mountains, recognized as one of the 25 most important biodiversity hot spots in the world, have a high degree of species diversity and endemism that is threatened by increasing human pressure on resources. Traditional slash and burn cultivation in the area is no longer sustainable. However, it is possible to maintain land productivity, decrease land degradation, and improve rural people's livelihood by ameliorating cultivation methods. Improved agroforestry seems to be a very convincing and suitable method for buffer zones of conservation areas. Farmers could receive a reasonable net income from their farm with little investment in terms of time, capital, and labor. By increasing the diversity and production of already existing cultivations, the pressure on natural forests can be diminished. The present study shows a significant gap between traditional cultivation methods and improved agroforestry systems in socio-economic terms. Improved agroforestry systems provide approximately double income per capita in comparison to traditional methods. More intensified cash crop cultivation in the highlands of the East Usambara also results in double income compared to that in the lowlands. However, people are sensitive to risks of changing farming practices. Encouraging farmers to apply better land management and practice sustainable cultivation of cash crops in combination with multipurpose trees would be relevant in improving their economic situation in the relatively short term. The markets of most cash crops are already available. Improved agroforestry methods could ameliorate the living conditions of the local population and protect the natural reserves from human disturbance. PMID:16261277

  15. Paleodemographic age-at-death distributions of two Mexican skeletal collections: a comparison of transition analysis and traditional aging methods.

    PubMed

    Bullock, Meggan; Mrquez, Lourdes; Hernndez, Patricia; Ruz, Fernando

    2013-09-01

    Traditional methods of aging adult skeletons suffer from the problem of age mimicry of the reference collection, as described by Bocquet-Appel and Masset (1982). Transition analysis (Boldsen et al., 2002) is a method of aging adult skeletons that addresses the problem of age mimicry of the reference collection by allowing users to select an appropriate prior probability. In order to evaluate whether transition analysis results in significantly different age estimates for adults, the method was applied to skeletal collections from Postclassic Cholula and Contact-Period Xochimilco. The resulting age-at-death distributions were then compared with age-at-death distributions for the two populations constructed using traditional aging methods. Although the traditional aging methods result in age-at-death distributions with high young adult mortality and few individuals living past the age of 50, the age-at-death distributions constructed using transition analysis indicate that most individuals who lived into adulthood lived past the age of 50. PMID:24037796

  16. Spectrophotometric, difference spectroscopic, and high-performance liquid chromatographic methods for the determination of cefixime in pharmaceutical formulations.

    PubMed

    Shah, Paresh B; Pundarikakshudu, Kilambi

    2006-01-01

    Three simple and sensitive spectrophotometric, difference spectroscopic, and liquid chromatographic (LC) methods are described for the determination of cefixime. The first method is based on the oxidative coupling reaction of cefixime with 3-methyl-2-benzothiazolinon hydrazone HCI in presence of ferric chloride. The absorbance of reaction product was measured at the maximum absorbance wavelength (wavelength(max)), 630 nm. The difference spectroscopic method is based on the measurement of absorbance of cefixime at the absorbance maximum, 268 nm, and minimum, 237 nm. The measured value was the amplitude of maxima and minima between 2 equimolar solutions of the analyte in different chemical forms, which exhibited different spectral characteristics. The conditions were optimized, and Beer's law was obeyed for cefixime at 1 to 16 microg/mL and 10 to 50 microg/mL, respectively. The third method, high-performance LC, was developed for the determination of cefixime using 50 mM potassium dihydrogen phosphate (pH 3.0)-methanol (78 + 22, v/v) as the mobile phase and measuring the response at wavelength(max) 286 nm. The analysis was performed on a Lichrospher RPC18 column. The calibration curve was obtained for cefixime at 5 to 250 microg/mL, and the mean recovery was 99.71 +/- 0.01%. The methods were validated according to the guidelines of the U.S. Pharmacopoeia and also assessed by applying the standard addition technique. The results obtained in the analysis of dosage forms agreed well with the contents stated on the labels. PMID:16915834

  17. Vibrational spectroscopic methods to characterize the bionanoparticles originating from newly developed self-forming synthetic PEGylated lipids (QuSomes)

    NASA Astrophysics Data System (ADS)

    Bista, Rajan K.; Bruch, Reinhard F.; Covington, Aaron M.

    2011-03-01

    Vibrational spectroscopy has been used to elucidate the temperature dependence of structural and conformational changes in lipids and liposomes. In this work, the thermal properties of lipid-based nanovesicles originating from a newly developed self-forming synthetic PEGylated lipids has been investigated by variable-temperature Fourier-transform infrared (FTIR) absorption and Raman spectroscopic methods. Thermally-induced changes in infrared and Raman spectra of these artificial lipid based nanovesicles composed of 1,2-dimyristoyl-rac-glycerol-3-dodecaethylene glycol (GDM-12) and 1,2-distearoyl-rac-glycerol-3-triicosaethylene glycol (GDS-23) were acquired by using a thin layered FTIR spectrometer in conjunction with a unique custom built temperature-controlled demountable liquid cell and variable-temperature controlled Raman microscope, respectively. The lipids under consideration have long hydrophobic acyl chains and contain various units of hydrophilic polyethylene glycol headgroups. In contrast to conventional phospholipids, this new kind of lipid is forming liposomes or nanovesicles spontaneously upon hydration, without supplying external activation energy. We have found that the thermal stability of such PEGylated lipids and nanovesicles differs greatly depending upon the acyl chain-lengths as well as associated head group units. However, the thermal behavior observed from both spectroscopic vibrational techniques are in good agreement.

  18. Pre-evaluation method for the spectroscopic properties of YAG bulk materials by sol-gel synthetic powder

    NASA Astrophysics Data System (ADS)

    Fujioka, K.; Fujimoto, Y.; Motokoshi, S.; Fujita, H.; Nakatsuka, M.

    2011-05-01

    The sol-gel synthetic powder evaluation method is the most effective and the easiest technique for pre-evaluating the spectroscopic properties of luminescent impurity doped YAG. The luminescent elements doped sol-gel powder agrees well with that of a single crystal or ceramic YAG regarding the luminescent spectra, the intensity, and the lifetime, even though the powder sintered at a low temperature of 1100C in comparison with the YAG crystal melting point of 1970C, because a good crystallinity of the sol-gel powder is led by the hard agglomerates of very small primary particles. It is considered that the significance of this method is to apply for not only of YAG but also of other oxides, for instance Y2O3, ZrO2, TiO2, and MgAl2O4

  19. Rapid and sensitive determination of proteins with Eriochrome Red in the presence of anionic surfactant by multi-spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Bian, Yongru; Cai, Changqun; Gong, Hang; Chen, Xiaoming

    2010-10-01

    A new high-sensitivity detection of protein assay at the nanogram level is proposed based on multi-spectroscopic methods including resonance light scattering (RLS), atomic force microscopy (AFM), ultraviolet spectra (UV) and fluorescence spectra etc. Under the optimum conditions, the amplified RLS signals of anionic azo dyes Eriochrome Red B (ERB) in the presence of anionic surfactant sodium dodecyl sulphonate (SDS) was in proportion to the concentration of proteins in the range of 0.0-3.5 mg L -1 and 3.5-12.5 mg L -1 for bovine serum albumin (BSA), 0.0-2.0 mg L -1 and 2.0-8.0 mg L -1 for human serum albumin (HSA). The detection limits were 4.2 ng mL -1 and 2.7 ng mL -1, respectively. The method was satisfactorily applied to the measurement of total protein in human serum samples and a high-sensitivity was achieved.

  20. [Visualization for Traditional Quality Management Techniques--Characterization Method for Spikenard of INUBUSHI SEIYAKU Established in the Edo Period].

    PubMed

    Ito, Ken; Inubushi, Soichiro; Moriwaki, Takafumi; Matsunaga, Kazuhiro; Takahashi, Kyoko; Ueda, Takahiro; Hashizume, Setsuya; Takemoto, Hiroaki; Kobayashi, Yoshinori; Ota, Tomoe; Nakamura, Seiko; Matsuda, Hisashi

    2015-01-01

    INUBUSHI SEIYAKU, a Japanese pharmaceutical company established in 1807, manufactures KEISHIN-TAN. This is an original drug developed by the company, and consists of 14 exotic natural medicines, spikenard, oriental bezoar, musk, agarwood, etc. It has been used for adjusting the autonomic nervous system and physical conditions. We studied the original methods of the traditional quality management techniques handed down within INUBUSHI SEIYAKU in selecting the appropriate spikenard (Nardostachys chinensis) for medicinal use. Currently, spikenards are mainly used as incense rather than medicine. KEISHIN-TAN is a rare case in that the bulk powder of the spikenards is used for pharmaceutical products in Japan. We examined the morphological characteristics and made an analysis of the component of spikenards selected by traditional methods. The raw material of the spikenards was purchased from the Japanese market, and was classified into two categories-superior, fit for medicinal use and defective, to be discarded-by traditional methods of INUBUSHI SEIYAKU. The methods of the characterization of the spikenard by INUBUSHI SEIYAKU were investigated. As a result, only thick spikenard roots over 2.0 cm in length and approximately 0.5 cm in diameter were found to be used, and the total weight of the superior was only 15% of the raw material. By comparing the weights of hexane extracts and GC-MS analyses, the content of calarene--main sedative compound in spikenards--in the superior material was 2.8 times higher than the raw material and 4.3 times higher than the defective material. The ways to devise how to enhance the pharmacological effects of spikenards may be contained in this method. These results revealed the traditional spikenard selection criteria, and may show the indications of using spikenard or its compounds for medicinal purposes. PMID:26427103

  1. [Comparative study on identity of B. ovis 019 strain by traditional methods and HOOF-prints technique].

    PubMed

    Wang, Yuan-zhi; Chen, Chuang-fu; Cui, Bu-yun; Liu, Jian-xin

    2007-04-01

    B. ovis 019 strain was identified by traditional methods and HOOF-Prints technique. Software DNAMAN was used to analyze phylogenetic tree for B. ovis 019 and reference strains of B. abortus 2308, B. melitensis 16M, B. suis 1330 and B. ovis 63/290. The results showed that the similarity between B. ovis 019 and B. ovis 63/290 was higher than that between B. ovis 019 and the other reference strains, which was in accordance with the results by conventional bacteriological methods. HOOF-Prints technique would be a promising method for identifying Brucella species and even biovars. PMID:17552227

  2. Participatory methods of incorporating scientific with traditional knowledge for volcanic hazard management on Ambae Island, Vanuatu

    NASA Astrophysics Data System (ADS)

    Cronin, Shane J.; Gaylord, David R.; Charley, Douglas; Alloway, Brent V.; Wallez, Sandrine; Esau, Job W.

    2004-10-01

    Ambae Island is the largest of Vanuatus active volcanoes. It is also one of the nations potentially most dangerous, with 60 million m3 of lake-water perched at over 1340 m in the summit caldera and over the active vent. In 1995, small phreatic explosions, earthquake swarms and heightened gas release led to calls for evacuation preparation and community volcanic hazard awareness programs for the ~9500 inhabitants. Differences in perspective or world-view between the island dwellers adhering to traditional beliefs (Kastom) and external scientists and emergency managers led to a climate of distrust following this crisis. In an attempt to address these issues, rebuild dialogue and respect between communities, outside scientists and administrators, and move forward in volcanic hazard education and planning for Ambae, we adapted and applied Participatory Rural Appraisal (PRA) approaches. Initial gender-segregated PRA exercises from two representative communities provided a mechanism for cataloguing local traditional viewpoints and hazard perceptions. Ultimately, by combining elements of these viewpoints and perceptions with science-based management structures, we derived volcanic hazard management guidelines, supported by an alert system and map that were more readily accepted by the test communities than the earlier top-down plans imposed by outside governmental and scientific agencies. The strength of PRA approaches is that they permit scientists to understand important local perspective issues, including visualisations of volcanic hazards, weaknesses in internal and external communication systems, and gender and hierarchy conflicts, all of which can hinder community emergency management. The approach we describe has much to offer both developing and industrialised communities that wish to improve their awareness programs and mitigative planning. This approach should also enhance communication and understanding between volcanologists and the communities they serve.

  3. Studies on the interaction of apigenin with calf thymus DNA by spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Zhang, Shufang; Sun, Xuejun; Kong, Rongmei; Xu, Mingming

    2015-02-01

    The interaction between apigenin and calf thymus deoxyribonucleic acid (ctDNA) in a pH 7.4 Tris-HCl buffer solution was investigated by UV-Vis spectroscopy, fluorescence spectroscopy, DNA melting techniques, and viscosity measurements. It was found that apigenin molecules could intercalate into the base pairs of DNA, forming a apigenin-DNA complex with a binding constant of K310K = 6.4 × 104 L mol-1. The thermodynamic parameters enthalpy change (ΔH), entropy change (ΔS) and Gibbs free energy (ΔG) were calculated to be 7.36 × 104 J mol-1, 329 J K-1 mol-1 and -2.84 × 104 J mol-1 at 310 K, respectively. Hydrophobic interaction was the predominant intermolecular force in stabilizing the apigenin-DNA complex. Thermal denaturation study suggested that the stabilization of the ctDNA helix was increased when the apigenin binding to ctDNA as indicated by the increase in thermal denaturation temperature of ctDNA at around 5.0 °C in the presence of apigenin. Spectroscopic techniques together with melting techniques and viscosity determination provided evidences of intercalation mode of binding for the interaction between apigenin and ctDNA.

  4. Interaction of tetramethylpyrazine with two serum albumins by a hybrid spectroscopic method

    NASA Astrophysics Data System (ADS)

    Cheng, Zhengjun

    The interactions of tetramethylpyrazine (TMPZ) with bovine serum albumin (BSA) and human serum albumin (HSA) have been investigated by various spectroscopic techniques. Fluorescence tests showed that TMPZ could bind to BSA/HSA to form complexes. The binding constants of TMPZ-BSA and TMPZ-HSA complexes were observed to be 1.442 × 104 and 3.302 × 104 M-1 at 298 K, respectively. The thermodynamic parameters (ΔG, ΔH and ΔS) calculated on the basis of different temperatures revealed that the binding of TMPZ-HSA was mainly depended on hydrophobic interaction, and yet the binding of TMPZ-BSA might involve hydrophobic interaction strongly and electrostatic interaction. The results of synchronous fluorescence, three-dimensional fluorescence, UV-vis absorption, FT-IR and CD spectra showed that the conformations of both BSA and HSA altered with the addition of TMPZ. The binding average distance between TMPZ and BSA/HSA was evaluated according to Föster non-radioactive energy transfer theory. In addition, with the aid of site markers (such as, phenylbutazone, ibuprofen and digitoxin), TMPZ primarily bound to tryptophan residues of BSA/HSA within site I (sub-domain II A).

  5. [Spectroscopic methods applied to component determination and species identification for coffee].

    PubMed

    Chen, Hua-zhou; Xu, Li-li; Qin, Qiang

    2014-06-01

    Spectroscopic analysis was applied to the determination of the nutrient quality of ground, instant and chicory coffees. By using inductively coupled plasma atomic emission spectrometry (ICP-ES), nine mineral elements were determined in solid coffee samples. Caffeine was determined by ultraviolet (UV) spectrometry and organic matter was investigated by Fourier transform infrared (FTIR) spectroscopy. Oxidation-reduction titration was utilized for measuring the oxalate. The differences between ground coffee and instant coffee was identified on the basis of the contents of caffeine, oxalate and mineral elements. Experimental evidence showed that, caffeine in instant coffee was 2-3 times higher than in ground coffee. Oxalate in instant coffee was significantly higher in ground coffee. Mineral elements of Mg, P and Zn in ground coffee is lower than in instant coffee, while Cu is several times higher. The mineral content in chicory coffee is overall lower than the instant coffee. In addition, we determined the content of Ti for different types of coffees, and simultaneously detected the elements of Cu, Ti and Zn in chicory coffee. As a fast detection technique, FTIR spectroscopy has the potential of detecting the differences between ground coffee and instant coffee, and is able to verify the presence of caffeine and oxalate. PMID:25358189

  6. The spectroscopic and the QTAIM properties of pyridine and phenanthroline derivatives using experimental and computational methods.

    PubMed

    Adeniyi, Adebayo A; Ajibade, Peter A

    2014-07-15

    The experimental and theoretical properties of ligands consisting of pyridine and phenanthroline derivatives have been studied. The results show a very high correlation between the experimental and theoretical spectroscopic properties of the ligands such as the IR, NMR chemical shift and UV. The carboxylic units in the ligands lead to increase in the dipole and anisotropic properties of the molecules while the methyl group lead to increase in the isotropic shielding tensor of the molecules. Most of the observed UV ?max in the ligands are predominantly excitation of electrons from the HOMO-2 or HOMO-1 or HOMO to the LUMO of the ligands. The ligand 2,2-dicarboxylphenanthroline (dcphn) is predicted to be the best starting material for non-linear optical (NLO) application due to its far higher first static hyperpolarizability tensor compare to other ligands and its lowest band gap. The same ligand can also be best for DNA binding because it has the lowest value of LUMO. The atomic charge of the nitrogen is found to be highly correlated with molecular HOMO, LUMO and non-Lewis orbital. The (15)N NMR chemical shift is found to be highly correlated atomic anisotropy, energy and intra-atomic isotropic shielding tensor. PMID:24691368

  7. Detection of Hg2+ in water environment by fluorescence spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Li, Zhen; Zhang, Jinsong; Hu, Hong; Wan, Ruyi; Yao, Youwei

    2015-08-01

    Inorganic mercury (Hg2+) produces toxic effects even at very low concentration. High sensitive fluorescent probes for Hg2+ detection has been researched and synthesized. A fluorescence detection system is built for Hg2+ detection in water environment with fluorescent probes as the detection reagent. Fiber coupled LED with high brightness is developed and used as excitation light source. And the optimized excitation wavelength is about 520 nm. The measurements of fluorescence spectra is obtained by means of optical fiber spectroscopic techniques. Fluorescence detection experiments are carried out for a range of different concentrations of Hg2+ in aqueous solutions. The center wavelength of the fluorescence spectra is about 580 nm which is unchanged in the experiments. Relationship between Hg2+ concentrations and the fluorescence intensity is studied. A positive correlation exists between the intensity of fluorescence spectrum and the concentrations of Hg2+. The fluorescence intensity grows with increasing the concentration of Hg2+ for the same excitation light. When the concentration of Hg2+ is high enough, the fluorescence intensity increases slowly. And a numerical model is built for the concentration calculating. The detection limit is 0.005 μmol/L in the experiments. The Hg2+ detection system reported has many advantages such as small size, rapid response, high-sensitivity, and can be used for on-site testing of the water quality.

  8. Interaction of erucic acid with bovine serum albumin using a multi-spectroscopic method and molecular docking technique.

    PubMed

    Shu, Yang; Xue, Weiwei; Xu, Xiaoying; Jia, Zhimin; Yao, Xiaojun; Liu, Shuwen; Liu, Lihong

    2015-04-15

    Overconsumption of erucic acid has been shown to cause heart damage in animals. The aim of this study is to evaluate the binding behaviour between erucic acid and bovine serum albumin using multi-spectroscopic methods and a molecular docking technique under physiological conditions. We find that erucic acid can quench the intrinsic fluorescence of BSA by dynamic quenching and there is a single class of binding site on BSA. In addition, the thermodynamic functions ?H and ?S are 119.14 kJ mol(-1) and 488.89 J mol(-1) K(-1), indicating that the hydrophobic force is a main acting force. Furthermore, the protein secondary structure changes with an increase in the content of ?-helix, measured using synchronous fluorescence, circular dichroism and Fourier transform infrared spectroscopies. The molecular docking results illustrate that erucic acid can bind with the subdomain IIA of the BSA, and hydrogen bonding is also an acting force. PMID:25465991

  9. Properties of CO/sub 2/ laser produced long-life plasmas observed by x-ray spectroscopic methods

    SciTech Connect

    Daido, H.; Nishihara, K.; Mima, K.; Kitagawa, Y.; Nakai, S.; Yamanaka, C.; Hasegawa, A.

    1988-03-01

    We present the properties of shell confinement long-life plasmas produced by a CO/sub 2/ laser. The temperature measurement for parylene shell targets based on the x-ray spectroscopic method gives the electron temperature of more than 500 eV at the center of a 1-mm-diam target. An enchanced confinement time is obtained in a thick gold shell (100 ..mu..m thick) target coated internally with parylene. The duration of the x ray emitted from the hot core in a 3-mm-diam target of this type is 34 ns, while the laser pulse duration is 1 ns. The long duration of the x-ray manifests the hot core plasma lifetime; the observed duration presents a strong evidence of thermal insulation by the self-generated magnetic field.

  10. Spectroscopic analysis of diphosphatriazolate anion (P2N3-) by coupled-cluster methods as a step toward N5-

    NASA Astrophysics Data System (ADS)

    Jin, Yifan; Perera, Ajith; Bartlett, Rodney J.

    2015-11-01

    The long sought N5- is a step from the recently synthesized aromatic pentagonal diphosphatriazolate anion (P2N3-). As accurate spectroscopic properties of N5- are only known from theoretical calculations, this manuscript demonstrates the accuracy of the computed P2N3- spectra (IR, Raman, and NMR) obtained from coupled-cluster methods [CCSD or CCSD(T)] compared to experiment, eliminating any ambiguities of the prior density functional theory (DFT) results. Excited and ionized state calculations from EOM-CCSD(T) and IP-EOM-CCSD offer predictions of those additional properties. Differences between P2N3- and N5- arise primarily due to the positive electron affinities of P2, which cause very different potential energy surfaces.

  11. Spectroscopic methods of process monitoring for safeguards of used nuclear fuel separations

    NASA Astrophysics Data System (ADS)

    Warburton, Jamie Lee

    To support the demonstration of a more proliferation-resistant nuclear fuel processing plant, techniques and instrumentation to allow the real-time, online determination of special nuclear material concentrations in-process must be developed. An ideal materials accountability technique for proliferation resistance should provide nondestructive, realtime, on-line information of metal and ligand concentrations in separations streams without perturbing the process. UV-Visible spectroscopy can be adapted for this precise purpose in solvent extraction-based separations. The primary goal of this project is to understand fundamental URanium EXtraction (UREX) and Plutonium-URanium EXtraction (PUREX) reprocessing chemistry and corresponding UV-Visible spectroscopy for application in process monitoring for safeguards. By evaluating the impact of process conditions, such as acid concentration, metal concentration and flow rate, on the sensitivity of the UV-Visible detection system, the process-monitoring concept is developed from an advanced application of fundamental spectroscopy. Systematic benchtop-scale studies investigated the system relevant to UREX or PUREX type reprocessing systems, encompassing 0.01-1.26 M U and 0.01-8 M HNO3. A laboratory-scale TRansUranic Extraction (TRUEX) demonstration was performed and used both to analyze for potential online monitoring opportunities in the TRUEX process, and to provide the foundation for building and demonstrating a laboratory-scale UREX demonstration. The secondary goal of the project is to simulate a diversion scenario in UREX and successfully detect changes in metal concentration and solution chemistry in a counter current contactor system with a UV-Visible spectroscopic process monitor. UREX uses the same basic solvent extraction flowsheet as PUREX, but has a lower acid concentration throughout and adds acetohydroxamic acid (AHA) as a complexant/reductant to the feed solution to prevent the extraction of Pu. By examining UV-Visible spectra gathered in real time, the objective is to detect the conversion from the UREX process, which does not separate Pu, to the PUREX process, which yields a purified Pu product. The change in process chemistry can be detected in the feed solution, aqueous product or in the raffinate stream by identifying the acid concentration, metal distribution and the presence or absence of AHA. A fiber optic dip probe for UV-Visible spectroscopy was integrated into a bank of three counter-current centrifugal contactors to demonstrate the online process monitoring concept. Nd, Fe and Zr were added to the uranyl nitrate system to explore spectroscopic interferences and identify additional species as candidates for online monitoring. This milestone is a demonstration of the potential of this technique, which lies in the ability to simultaneously and directly monitor the chemical process conditions in a reprocessing plant, providing inspectors with another tool to detect nuclear material diversion attempts. Lastly, dry processing of used nuclear fuel is often used as a head-end step before solvent extraction-based separations such as UREX or TRUEX. A non-aqueous process, used fuel treatment by dry processing generally includes chopping of used fuel rods followed by repeated oxidation-reduction cycles and physical separation of the used fuel from the cladding. Thus, dry processing techniques are investigated and opportunities for online monitoring are proposed for continuation of this work in future studies.

  12. Analytical methods for the detection of undeclared synthetic drugs in traditional herbal medicines as adulterants.

    PubMed

    Haneef, Jamshed; Shaharyar, Mohammad; Husain, Asif; Rashid, Mohd; Mishra, Ravinesh; Siddique, Nadeem A; Pal, Manoj

    2013-08-01

    Traditional herbal medicines (THMs) are gaining popularity worldwide as an alternative approach to prescription drugs for many reasons including a general perception that they are safe. But recently there have been number of reported studies that reveal adulteration of THMs with undeclared synthetic drugs, which may potentially cause serious toxic adverse effects. This paper reviews the various classes of synthetic drugs that were found to be adulterated in THMs worldwide. The main focus is to highlight newer analytical tools used to detect adulteration. Due to the advancement in hyphenated techniques like liquid chromatography tandem mass spectrometry (LC-MS/MS), gas chromatography-tandem mass spectrometry (GC-MS/MS) and other conventional tools, it has become possible to detect synthetic drugs and their structural analogues as adulterants even if they are present in small quantities. This review also gives an overview of health-related risks after consuming such spurious products and challenges for future perspectives to control such type of malpractices. PMID:23653249

  13. [Overview on method and strategy of therapeutic material basis in traditional Chinese medicine by multidisciplinary approach].

    PubMed

    Li, Ya-mei; Du, Zhi-min

    2015-05-01

    Traditional Chinese medicine (TCM) has a good reputation for preventing or healing diseases in clinic due to its higher efficacy, minor toxicity and abundant resources. Screening bioactive components in TCMs is not only crucial for clarifying their action mechanisms, but also the basis of their safety and quality control. TCM is characterized by multiple components, multiple targets and multiple mechanisms, however the complex composition of TCM makes it difficult to study the therapeutic material basis which has become the bottleneck in the process of its modernization and internationalization. Recently, with the rapid development of modern technologies and the unceasing progress of various disciplines, multidisciplinary approach, such as analytical chemistry, chemistry of TCM, pharmacology, cell biology, systems biology and bioinformatics has been successfully applied to the study of TCM. Multidisciplinary approach realizes the communication and interaction of multi-discipline, and accelerates the research and development of TCM. This review summarizes the application of multidisciplinary approach which may have certain potential of bringing new thoughts to TCM research and provide references for screening and identification of therapeutic material basis of TCMs. PMID:26323122

  14. Surveying the Microbiome of Ants: Comparing 454 Pyrosequencing with Traditional Methods To Uncover Bacterial Diversity

    PubMed Central

    Rubin, Benjamin E. R.; Russell, Jacob A.; Moreau, Corrie S.

    2013-01-01

    We are only beginning to understand the depth and breadth of microbial associations across the eukaryotic tree of life. Reliably assessing bacterial diversity is a key challenge, and next-generation sequencing approaches are facilitating this endeavor. In this study, we used 16S rRNA amplicon pyrosequencing to survey microbial diversity in ants. We compared 454 libraries with Sanger-sequenced clone libraries as well as cultivation of live bacteria. Pyrosequencing yielded 95,656 bacterial 16S rRNA reads from 19 samples derived from four colonies of one ant species. The most dominant bacterial orders in the microbiome of the turtle ant Cephalotes varians were Rhizobiales, Burkholderiales, Opitutales, Xanthomonadales, and Campylobacterales, as revealed through both 454 sequencing and cloning. Even after stringent quality filtering, pyrosequencing recovered 445 microbe operational taxonomic units (OTUs) not detected with traditional techniques. In comparing bacterial communities associated with specific tissues, we found that gut tissues had significantly higher diversity than nongut tissues, and many of the OTUs identified from these groups clustered within ant-specific lineages, indicating a deep coevolutionary history of Cephalotes ants and their associated microbes. These lineages likely function as nutritional symbionts. One of four ant colonies investigated was infected with a Spiroplasma sp. (order Entomoplasmatales), a potential ant pathogen. Our work shows that the microbiome associated with Cephalotes varians is dominated by a few dozen bacterial lineages and that 454 sequencing is a cost-efficient tool to screen ant symbiont diversity. PMID:23124239

  15. Surveying the microbiome of ants: comparing 454 pyrosequencing with traditional methods to uncover bacterial diversity.

    PubMed

    Kautz, Stefanie; Rubin, Benjamin E R; Russell, Jacob A; Moreau, Corrie S

    2013-01-01

    We are only beginning to understand the depth and breadth of microbial associations across the eukaryotic tree of life. Reliably assessing bacterial diversity is a key challenge, and next-generation sequencing approaches are facilitating this endeavor. In this study, we used 16S rRNA amplicon pyrosequencing to survey microbial diversity in ants. We compared 454 libraries with Sanger-sequenced clone libraries as well as cultivation of live bacteria. Pyrosequencing yielded 95,656 bacterial 16S rRNA reads from 19 samples derived from four colonies of one ant species. The most dominant bacterial orders in the microbiome of the turtle ant Cephalotes varians were Rhizobiales, Burkholderiales, Opitutales, Xanthomonadales, and Campylobacterales, as revealed through both 454 sequencing and cloning. Even after stringent quality filtering, pyrosequencing recovered 445 microbe operational taxonomic units (OTUs) not detected with traditional techniques. In comparing bacterial communities associated with specific tissues, we found that gut tissues had significantly higher diversity than nongut tissues, and many of the OTUs identified from these groups clustered within ant-specific lineages, indicating a deep coevolutionary history of Cephalotes ants and their associated microbes. These lineages likely function as nutritional symbionts. One of four ant colonies investigated was infected with a Spiroplasma sp. (order Entomoplasmatales), a potential ant pathogen. Our work shows that the microbiome associated with Cephalotes varians is dominated by a few dozen bacterial lineages and that 454 sequencing is a cost-efficient tool to screen ant symbiont diversity. PMID:23124239

  16. Preferences of a Traditional Extension Audience for Self-Directed Delivery Methods.

    ERIC Educational Resources Information Center

    Caldwell, Allen E.; Richardson, John G.

    1995-01-01

    North Carolina farmers growing barley (n=20) tested 3 self-directed information delivery methods: fact sheets, fact sheets plus audiocassettes, and an extension bulletin/pamphlet. The fact sheet/cassette was preferred by 17 of 20; they achieved significant knowledge gains with self-directed methods. The fact sheet/cassette was considered

  17. Bilateral acute iris transillumination following a fumigation therapy: a village-based traditional method for the treatment of ophthalmomyiasis.

    PubMed

    Gonul, Saban; Bozkurt, Banu; Okudan, Suleyman; Tugal-Tutkun, Ilknur

    2015-03-01

    Bilateral acute iris transillumination (BAIT) is a relatively new clinical entity characterized by bilateral acute loss of iris pigment epithelium, iris transillumination, pigment dispersion in the anterior chamber and atonic pupilla. We report herein a 50-year-old female who presented with bilateral ocular pain, severe photophobia and red eyes. One month ago, a fly hit her eye, and she instantly complained of a discomfort and sensation of a foreign body in both eyes. She used a fumigation therapy, a traditional method for the treatment of ophthalmomyiasis. During follow-up examinations, intraocular pressures increased over 40 mmHg bilaterally despite maximal medical therapy, which necessitated trabeculectomy surgery with mitomycin. This is a typical BAIT case with no antecedent fluoroquinolone use or viral disease, but a fumigation therapy. There might be a possible relationship between BAIT and traditional fumigation therapy or this association might be coincidental, both of which need further evaluation. PMID:24678751

  18. A Method of Classifying Tongue Colors for Traditional Chinese Medicine Diagnosis Based on the CIELAB Color Space

    NASA Astrophysics Data System (ADS)

    Li, Bocong; Huang, Qingmei; Lu, Yan; Chen, Songhe; Liang, Rong; Wang, Zhaoping

    Objective tongue color analysis is an important research point for tongue diagnosis in Traditional Chinese Medicine. In this paper a research based on the clinical process of diagnosing tongue color is reported. The color data in RGB color space were first transformed into the data in CIELAB color space, and the color gamut of the displayed tongue was obtained. Then a numerical method of tongue color classification based on the Traditional Chinese Medicine (for example: light white tongue, light red tongue, red tongue) was developed. The conclusion is that this research can give the description and classification of the tongue color close to those given by human vision and may be carried out in clinical diagnosis.

  19. Development of new UV-vis spectroscopic microwave-assisted method for determination of glucose in pharmaceutical samples

    NASA Astrophysics Data System (ADS)

    Mabood, Fazal; Hussain, Z.; Haq, H.; Arian, M. B.; Boqué, R.; Khan, K. M.; Hussain, K.; Jabeen, F.; Hussain, J.; Ahmed, M.; Alharasi, A.; Naureen, Z.; Hussain, H.; Khan, A.; Perveen, S.

    2016-01-01

    A new UV-Visible spectroscopic method assisted with microwave for the determination of glucose in pharmaceutical formulations was developed. In this study glucose solutions were oxidized by ammonium molybdate in the presence of microwave energy and reacted with aniline to produce a colored solution. Optimum conditions of the reaction including wavelength, temperature, and pH of the medium and relative concentration ratio of the reactants were investigated. It was found that the optimal wavelength for the reaction is 610 nm, the optimal reaction time is 80 s, the optimal reaction temperature is 160 °C, the optimal reaction pH is 4, and the optimal concentration ratio aniline/ammonium molybdate solution was found to be 1:1. The limits of detection and quantification of the method are 0.82 and 2.75 ppm for glucose solution, respectively. The use of microwaves improved the speed of the method while the use of aniline improved the sensitivity of the method by shifting the wavelength.

  20. Development of new UV-vis spectroscopic microwave-assisted method for determination of glucose in pharmaceutical samples.

    PubMed

    Mabood, Fazal; Hussain, Z; Haq, H; Arian, M B; Boqué, R; Khan, K M; Hussain, K; Jabeen, F; Hussain, J; Ahmed, M; Alharasi, A; Naureen, Z; Hussain, H; Khan, A; Perveen, S

    2016-01-15

    A new UV-Visible spectroscopic method assisted with microwave for the determination of glucose in pharmaceutical formulations was developed. In this study glucose solutions were oxidized by ammonium molybdate in the presence of microwave energy and reacted with aniline to produce a colored solution. Optimum conditions of the reaction including wavelength, temperature, and pH of the medium and relative concentration ratio of the reactants were investigated. It was found that the optimal wavelength for the reaction is 610 nm, the optimal reaction time is 80s, the optimal reaction temperature is 160°C, the optimal reaction pH is 4, and the optimal concentration ratio aniline/ammonium molybdate solution was found to be 1:1. The limits of detection and quantification of the method are 0.82 and 2.75 ppm for glucose solution, respectively. The use of microwaves improved the speed of the method while the use of aniline improved the sensitivity of the method by shifting the wavelength. PMID:26312738

  1. Development and validation of RP-HPLC method to determine anti-allergic compound in Thai traditional remedy called Benjalokawichien.

    PubMed

    Sakpakdeejaroen, Intouch; Juckmeta, Thana; Itharat, Arunporn

    2014-08-01

    Benjalokawichien (BLW) or Ya-Ha-Rak (HR) is a traditional remedy in the Nationaldrug list of herbal medicinal products AD 2012 of Thailand. For traditional use, BLW is used as antipyretic agent. It also has anti-allergic effect, particularly treating allergic rash. The ethanolic extract of BLW exhibited anti-allergic activity via inhibitory effect against a release ofbeta-hexosaminidase in RBL-2H3 cell line. Pectolinarigenin has been identified as the active compound ofBLW extract. In this study, a reversed-phase high performance liquid chromatography (RP-HPLC) method was developed in order to control quality ofpreparation in three aspects such as chemical fingerprint, quantification and stability of the ethanolic extract. The RP-HPLC was performed with a gradient mobile phase composed of 0.1% ortho phosphoric acid and acetronitrile, and peaks were detected at 331 nm. Based on validation results, this analytical method is precise, accurate and stable for quantitative determination ofpectolinarigenin. The amount ofpectolinarigenin in Benjalokawichien extract determined by this method was 18.50 mg/g ofextract. Therefore, this method could be consideredfor quality control ofBLWextract. PMID:25518297

  2. Estimating premorbid intelligence: comparison of traditional and contemporary methods across the intelligence continuum.

    PubMed

    Griffin, Stefanie L; Mindt, Monica Rivera; Rankin, Eugene J; Ritchie, A Jocelyn; Scott, James G

    2002-07-01

    The present investigation compared the North American Adult Reading Test (NAART), Wide Range Achievement Test-3 (WRAT-3) Reading subtest, Barona, and Oklahoma Premorbid Intelligence Estimate Best (OPIE) premorbid intelligence estimates in 64 chronic pain patients across three intelligence ranges. Results for the entire sample revealed that the NAART, Barona, and OPIE Best equations overestimated Wechsler Adult Intelligence Scale-Revised Full Scale IQ (WAIS-R FSIQ), while the WRAT-3 underestimated FSIQ. When the sample was divided into three intelligence ranges, the OPIE more accurately classified individuals with above average intelligence, while the WRAT-3 more accurately classified individuals with below average intelligence. Three methods (NAART, OPIE, and WRAT-3) provided relatively equivalent classifications of individuals in the average intelligence range. The Barona method tended to systematically under- and overestimate FSIQ across the intelligence continuum. These results suggest the potential utility of using different estimation methods for individuals in different IQ ranges, and speak to the need for development of estimation methods that incorporate current reading ability with best performance and demographic variables. PMID:14592003

  3. Mathematics Achievement: Traditional Instruction and Technology-Assisted Course Delivery Methods

    ERIC Educational Resources Information Center

    Vilardi, Robert; Rice, Margaret L.

    2014-01-01

    The purpose of this study was to analyze technology-assisted course delivery methods to determine their overall effectiveness as it pertains to mathematics courses. This study analyzed both current and historical data in the areas of achievement, retention, and grade distribution for mathematics classes. The study included 14,562 students enrolled…

  4. Performance of Traditional and Molecular Methods for Detecting Biological Agents in Drinking Water

    EPA Science Inventory

    USGS Report - To reduce the impact from a possible bioterrorist attack on drinking-water supplies, analytical methods are needed to rapidly detect the presence of biological agents in water. To this end, 13 drinking-water samples were collected at 9 water-treatment plants in Ohio...

  5. GROUND WATER MONITORING AND SAMPLING: MULTI-LEVEL VERSUS TRADITIONAL METHODS WHATS WHAT?

    EPA Science Inventory

    After years of research and many publications, the question still remains: What is the best method to collect representative ground water samples from monitoring wells? Numerous systems and devices are currently available for obtaining both multi-level samples as well as traditi...

  6. Comparison of Penetration of Irrigant Activated by Traditional Methods with A Novel Technique

    PubMed Central

    Kanumuru, Pavan Kumar; Sooraparaju, Sujatha Gopal; Nujella, Surya Kumari; Reddy, Bala Kasi; Penigalapati, Siva Ram

    2015-01-01

    Introduction The effectiveness of irrigation depends upon various irrigation activation methods & devices used. Aim To compare and evaluate the penetration of irrigant upto working length and into simulated lateral canals using four different irrigation activation techniques. Materials and Methods The root canals of 60 single-rooted teeth were instrumented using the proTaper rotary system. After decalcification of each sample tooth, three simulated lateral canals were created at 2mm, 4mm and 6mm levels from the root apex using a 06-size C+ file. After clearing the samples they were randomly assigned into four experimental groups (n=15) and 1ml of Irrigating Contrast Solution (ICS) was delivered into all samples and then it is activated with 4 different methods Group I-Conventional syringe and needle, Group II - Sonic activation with Endo activator, Group III – Ultrasonic activation with ultrasonic tips and Group IV - Activation using reciprocation movement. All the samples were examined under a stereomicroscope and irrigant penetration was evaluated by means of penetration of ICS. Results Group III and Group IV resulted in better penetration of ICS into lateral canals at 2mm and 4mm depth (p<0.001), when compared with Group I and II. At lateral canals 6mm all the groups except Group I, had shown 100 % penetration. Conclusion The activation of irrigant using reciprocation was able to achieve penetration of irrigating contrast solution both up to the working length and into lateral canals. Hence the clinical significance of this method of irrigant activation is that it can be used for effective penetration of irrigants both upto working length and into lateral canals. PMID:26674879

  7. John Locke's "new method of making common-place-books": tradition, innovation and epistemic effects.

    PubMed

    Stolberg, Michael

    2014-01-01

    In 1676, the English physician and philosopher John Locke published a new method of commonplacing. He had developed this method and, in particular, a new approach to organizing and indexing the entries, in the course of 25 years of personal note-taking and it proved quite influential. This paper presents the three major approaches to commonplacing as practiced by physicians and other scholars before Locke--the systematic or textbook approach, the alphabetical approach and the sequential or index-based approach--and it analyzes the ways in which Locke himself applied them in his own commonplace books. In comparison with established approaches, his new method offered a maximum degree of flexibilitywhile facilitating the later retrieval of notes and minimising waste of space and paper. Thanks to these features, it was particularly well suited for physicians and natural philosophers who were interested in the infinite variety of natural particulars rather than in elegant quotes on a very limited set of classical topics. In conclusion, the potential epistemic impact of commonplacing on early modern medicine and natural philosophy is discussed, in particular its importance for contemporary debates about species and disease entities and for the emergence of the notion of "facts"! PMID:25581993

  8. HPLC Method for Simultaneous Quantitative Detection of Quercetin and Curcuminoids in Traditional Chinese Medicines

    PubMed Central

    Ang, Lee Fung; Yam, Mun Fei; Fung, Yvonne Tan Tze; Kiang, Peh Kok; Darwin, Yusrida

    2014-01-01

    Objectives: Quercetin and curcuminoids are important bioactive compounds found in many herbs. Previously reported high performance liquid chromatography ultraviolet (HPLC-UV) methods for the detection of quercetin and curcuminoids have several disadvantages, including unsatisfactory separation times and lack of validation according the standard guidelines of the International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use. Methods: A rapid, specific, reversed phase, HPLC-UV method with an isocratic elution of acetonitrile and 2% v/v acetic acid (40% : 60% v/v) (pH 2.6) at a flow rate of 1.3 mL/minutes, a column temperature of 35°C, and ultraviolet (UV) detection at 370 nm was developed. The method was validated and applied to the quantification of different types of market available Chinese medicine extracts, pills and tablets. Results: The method allowed simultaneous determination of quercetin, bisdemethoxycurcumin, demethoxycurcumin and curcumin in the concentration ranges of 0.00488 ─ 200 μg/mL, 0.625 ─ 320 μg/mL, 0.07813 ─ 320 μg/mL and 0.03906 ─ 320 μg/mL, respectively. The limits of detection and quantification, respectively, were 0.00488 and 0.03906 μg/mL for quercetin, 0.62500 and 2.50000 μg/mL for bisdemethoxycurcumin, 0.07813 and 0.31250 μg/mL for demethoxycurcumin, and 0.03906 and 0.07813 μg/mL for curcumin. The percent relative intra day standard deviation (% RSD) values were 0.432 ─ 0.806 μg/mL, 0.576 ─ 0.723 μg/mL, 0.635 ─ 0.752 μg/mL and 0.655 ─ 0.732 μg/mL for quercetin, bisdemethoxycurcumin, demethoxycurcumin and curcumin, respectively, and those for intra day precision were 0.323 ─ 0.968 μg/mL, 0.805 ─ 0.854 μg/mL, 0.078 ─ 0.844 μg/mL and 0.275 ─ 0.829 μg/mL, respectively. The intra day accuracies were 99.589% ─ 100.821%, 98.588% ─ 101.084%, 9.289% ─ 100.88%, and 98.292% ─ 101.022% for quercetin, bisdemethoxycurcumin, demethoxycurcumin and curcumin, respectively, and the inter day accuracy were 99.665% ─ 103.06%, 97.669% ─ 103.513%, 99.569% ─ 103.617%, and 97.929% ─ 103.606%, respectively. Conclusion: The method was found to be simple, accurate and precise and is recommended for routine quality control analysis of commercial Chinese medicine products containing the flour flavonoids as their principle components in the extracts. PMID:25780718

  9. An Alternant Method to the Traditional NASA Hindlimb Unloading Model in Mice

    PubMed Central

    Ferreira, J. Andries; Crissey, Jacqueline M.; Brown, Marybeth

    2011-01-01

    The Morey-Holton hindlimb unloading (HU) method is a widely accepted National Aeronautics and Space Administration (NASA) ground-based model for studying disuse-atrophy in rodents 4-6. Our study evaluated an alternant method to the gold-standard Morey-Holton HU tail-traction technique in mice. Fifty-four female mice (4-8 mo.) were HU for 14 days (n=34) or 28 days (n=20). Recovery from HU was assessed after 3 days of normal cage ambulation following HU (n=22). Aged matched mice (n=76) served as weight-bearing controls. Prior to HU a tail ring was formed with a 2-0 sterile surgical steel wire that was passed through the 5th, 6th, or 7th inter-vertebral disc space and shaped into a ring from which the mice were suspended. Vertebral location for the tail-ring was selected to appropriately balance animal body weight without interfering with defecation. We determined the success of this novel HU technique by assessing body weight before and after HU, degree of soleus atrophy, and adrenal mass following HU. Body weight of the mice prior to HU (24.3 ± 2.9g) did not significantly decline immediately after 14d of HU (22.7 ± 1.9g), 28d of HU (21.3 + 2.1g) or after 3 days recovery (24.0 ± 1.8g). Soleus muscle mass significantly declined (-39.1%, and -46.6%) following HU for 14 days and 28 days respectively (p<0.001). Following 3 days of recovery soleus mass significantly increased to 74% of control values. Adrenal weights of HU mice were not different compared to control mice. The success of our novel HU method is evidenced by the maintenance of animal body weight, comparable adrenal gland weights, and soleus atrophy following HU, corresponding to expected literature values 2, 7, 8. The primary advantages of this HU method include: 1) ease of tail examination during suspension; 2) decreased likelihood of cyanotic, inflamed, and/or necrotic tails frequently observed with tail-taping and HU; 3) no possibility of mice chewing the traction tape and coming out of the suspension apparatus; and 4) rapid recovery and normal cage activity immediately after HU. PMID:21445032

  10. An alternant method to the traditional NASA hindlimb unloading model in mice.

    PubMed

    Ferreira, J Andries; Crissey, Jacqueline M; Brown, Marybeth

    2011-01-01

    The Morey-Holton hindlimb unloading (HU) method is a widely accepted National Aeronautics and Space Administration (NASA) ground-based model for studying disuse-atrophy in rodents. Our study evaluated an alternant method to the gold-standard Morey-Holton HU tail-traction technique in mice. Fifty-four female mice (4-8 mo.) were HU for 14 days (n=34) or 28 days (n=20). Recovery from HU was assessed after 3 days of normal cage ambulation following HU (n=22). Aged matched mice (n=76) served as weight-bearing controls. Prior to HU a tail ring was formed with a 2-0 sterile surgical steel wire that was passed through the 5(th), 6(th), or 7(th) inter-vertebral disc space and shaped into a ring from which the mice were suspended. Vertebral location for the tail-ring was selected to appropriately balance animal body weight without interfering with defecation. We determined the success of this novel HU technique by assessing body weight before and after HU, degree of soleus atrophy, and adrenal mass following HU. Body weight of the mice prior to HU (24.3 ± 2.9g) did not significantly decline immediately after 14d of HU (22.7 ± 1.9g), 28d of HU (21.3 + 2.1g) or after 3 days recovery (24.0 ± 1.8g). Soleus muscle mass significantly declined (-39.1%, and -46.6%) following HU for 14 days and 28 days respectively (p<0.001). Following 3 days of recovery soleus mass significantly increased to 74% of control values. Adrenal weights of HU mice were not different compared to control mice. The success of our novel HU method is evidenced by the maintenance of animal body weight, comparable adrenal gland weights, and soleus atrophy following HU, corresponding to expected literature values. The primary advantages of this HU method include: 1) ease of tail examination during suspension; 2) decreased likelihood of cyanotic, inflamed, and/or necrotic tails frequently observed with tail-taping and HU; 3) no possibility of mice chewing the traction tape and coming out of the suspension apparatus; and 4) rapid recovery and normal cage activity immediately after HU. PMID:21445032

  11. Azocasein Substrate for Determination of Proteolytic Activity: Reexamining a Traditional Method Using Bromelain Samples

    PubMed Central

    Mazzola, Priscila Gava

    2016-01-01

    Given the importance of protease's worldwide market, the determination of optimum conditions and the development of a standard protocol are critical during selection of a reliable method to determine its bioactivity. This paper uses quality control theory to validate a modified version of a method proposed by Charney and Tomarelli in 1947. The results obtained showed that using azocasein substrate bromelain had its optimum at 45°C and pH 9 (Glycine-NaOH 100 mM). We also quantified the limit of detection (LoD) and limit of quantification (LoQ) in the above-mentioned optimum (0.072 and 0.494 mg·mL−1 of azocasein, resp.) and a calibration curve that correlates optical density with the amount of substrate digested. In all analysed samples, we observed a significant decrease in response after storage (around 17%), which suggests its use must be immediately after preparation. Thus, the protocol presented in this paper offers a significant improvement, given that subjective definitions are commonly used in the literature and this simple mathematical approach makes it clear and concise. PMID:26925415

  12. Spectrophotometric method for the determination, validation, spectroscopic and thermal analysis of diphenhydramine in pharmaceutical preparation

    NASA Astrophysics Data System (ADS)

    Ulu, Sevgi Tatar; Elmali, Fikriye Tuncel

    2010-09-01

    A sensitive, simple and rapid spectrophotometric method was developed for the determination of diphenhydramine in pharmaceutical preparation. The method was based on the charge-transfer complex of the drug, as n-electron donor, with 2,3-dichloro-5,6-dicyano- p-benzoquinone (DDQ), as π-acceptor. The formation of this complex was also confirmed by UV-vis, FTIR and 1H NMR spectra techniques and thermal analysis. The proposed method was validated according to the ICH guidelines with respect to linearity, limit of detection, limit of quantification, accuracy, precision, recovery and robustness. The linearity range for concentrations of diphenhydramine was found to be 12.5-150 μg/mL with acceptable correlation coefficients. The detection and quantification limits were found to be 2.09 and 6.27 μg/mL, respectively. The proposed and references methods were applied to the determination of drug in syrup. This preparation were also analyzed with an reference method and statistical comparison by t- and F-tests revealed that there was no significant difference between the results of the two methods with respect to mean values and standard deviations at the 95% confidence level.

  13. Atomic absorption spectroscopic, conductometric and colorimetric methods for determination of some fluoroquinolone antibacterials using ammonium reineckate

    NASA Astrophysics Data System (ADS)

    Al-Ghannam, Sheikha M.

    2008-04-01

    Three accurate, rapid and simple atomic absorption spectrometric (AAS), conductometric and colorimetric methods were developed for the determination of gatifloxacin (GTF), moxifloxacin (MXF) and sparfloxacin (SPF). The proposed methods depend upon the reaction of ammonium reineckate with the studied drugs to form stable precipitate of ion-pair complexes, which was dissolved in acetone. The pink coloured complexes were determined either by AAS or colorimetrically at ?max 525 nm directly using the dissolved complex. Using conductometric titration, the studied drugs could be evaluated in 50% (v/v) acetone. The optimizations of various experimental conditions were described. Optimum concentration ranges for the determination of GTF, MXF and SPF were 5.0-150, 40-440 ?g mL -1 and 0.10-1.5 mg mL -1 using atomic absorption (AAS), conductometric and colorimetric methods, respectively. Detection and quantification limits are ranges from 1.5 to 2.3 ?g mL -1 using AAS method or 30-45 ?g mL -1 using colorimetric method. The proposed procedures have been applied successfully to the analysis of these drugs in pharmaceutical formulations and the results are favourably comparable to the reference methods.

  14. Testing strength and power in soccer players: the application of conventional and traditional methods of assessment.

    PubMed

    Paul, Darren J; Nassis, George P

    2015-06-01

    Soccer is a highly complex sport influenced by many physical, psychological, tactical, and technical factors. In terms of basic physical components, strength and power are considered requisites for many important actions such as tackling, jumping, and shooting. Hence, assessment of strength and power is commonly performed within a soccer club's test battery. The objective is to use valid, reliable, and sensitive measures that allow for trustworthy analysis of the physical characteristics of players. Before any credence can be placed in test results, test's validity, reliability, and sensitivity needs to be established. This will allow practitioners to make informed decisions about test selection. This review examines the reliability, validity, and sensitivity of different strength and power assessments in soccer. The suitability of conventional and functional tests is detailed and the strengths and weaknesses of isokinetic dynamometry, hand-held dynamometry (HHD), repetition maximum, and power testing are also addressed. Generally, the tests considered in this review provide moderate to high reliability in soccer players of different training level. Similarly, the consensus demonstrates test methods to be sensitive to training interventions. In comparison, test validity seems less established. Isokinetic dynamometry has often been recognized as a gold standard measure of testing strength. Other methods of assessment are emerging as viable options (e.g., HHD), likely due to functionality and suitability of testing. Given the demands within a soccer club setting, practitioners should endeavor to use testing procedures that are informative yet not time consuming or labor intensive. By providing this, practitioners may have the option to perform more regular monitoring throughout the season rather than a limited number of specific time periods. PMID:25546446

  15. Using Neural Networks for 13C NMR Chemical Shift Prediction-Comparison with Traditional Methods

    NASA Astrophysics Data System (ADS)

    Meiler, Jens; Maier, Walter; Will, Martin; Meusinger, Reinhard

    2002-08-01

    Interpretation of 13C chemical shifts is essential for structure elucidation of organic molecules by NMR. In this article, we present an improved neural network approach and compare its performance to that of commonly used approaches. Specifically, our recently proposed neural network ( J. Chem. Inf. Comput. Sci. 2000, 40, 1169-1176) is improved by introducing an extended hybrid numerical description of the carbon atom environment, resulting in a standard deviation (std. dev.) of 2.4 ppm for an independent test data set of 42,500 carbons. Thus, this neural network allows fast and accurate 13C NMR chemical shift prediction without the necessity of access to molecule or fragment databases. For an unbiased test dataset containing 100 organic structures the accuracy of the improved neural network was compared to that of a prediction method based on the HOSE code ( hierarchically ordered spherical description of environment) using S PECI NFO. The results show the neural network predictions to be of quality (std. dev.=2.7 ppm) comparable to that of the HOSE code prediction (std. dev.=2.6 ppm). Further we compare the neural network predictions to those of a wide variety of other 13C chemical shift prediction tools including incremental methods (C HEMD RAW, S PECT OOL), quantum chemical calculation (G AUSSIAN, C OSMOS), and HOSE code fragment-based prediction (S PECI NFO, ACD/CNMR, P REDICTI T NMR) for the 47 13C-NMR shifts of Taxol, a natural product including many structural features of organic substances. The smallest standard deviations were achieved here with the neural network (1.3 ppm) and S PECI NFO (1.0 ppm).

  16. Development and validation spectroscopic methods for the determination of lomefloxacin in bulk and pharmaceutical formulations

    NASA Astrophysics Data System (ADS)

    El-Didamony, A. M.; Hafeez, S. M.

    2016-01-01

    Four simple, sensitive spectrophotometric and spectrofluorimetric methods (A-D) for the determination of antibacterial drug lomefloxacin (LMFX) in pharmaceutical formulations have been developed. Method A is based on formation of ternary complex between Pd(II), eosin and LMFX in the presence of methyl cellulose as surfactant and acetate-HCl buffer pH 4.0. Spectrophotometrically, under the optimum conditions, the ternary complex showed absorption maximum at 530 nm. Methods B and C are based on redox reaction between LMFX and KMnO4 in acid and alkaline media. In indirect spectrophotometry method B the drug solution is treated with a known excess of KMnO4 in H2SO4 medium and subsequent determination of unreacted oxidant by reacting it with safronine O in the same medium at λmax = 520 nm. Direct spectrophotometry method C involves treating the alkaline solution of LMFX with KMnO4 and measuring the bluish green product at 604 nm. Method D is based on the chelation of LMFX with Zr(IV) to produce fluorescent chelate. At the optimum reaction conditions, the drug-metal chelate showed excitation maxima at 280 nm and emission maxima at 443 nm. The optimum experimental parameters for the reactions have been studied. The validity of the described procedures was assessed. Statistical analysis of the results has been carried out revealing high accuracy and good precision. The proposed methods were successfully applied for the determination of the selected drug in pharmaceutical preparations with good recoveries.

  17. Comparison of laser spectroscopic PNC method with laser integral fluorescence in optical caries diagnostics

    NASA Astrophysics Data System (ADS)

    Masychev, Victor I.

    2001-05-01

    In this research we represent the results of approbation of two methods of optical caries diagnostics: PNC-spectral diagnostics and caries detection by laser integral fluorescence. The research was conducted in a dental clinic. PNC-method analyzes parameters of probing laser radiation and PNC-spectrums of stimulated secondary radiations: backscattering and endogenous fluorescence of caries- involved bacteria. Ia-Ne laser ((lambda) equals632.8 nm, 1-2 mW) was used as a source of probing (stimulated) radiation. For registration of signals, received from intact and pathological teeth PDA-detector was applied. PNC-spectrums were processed by special algorithms, and were displayed on PC monitor. The method of laser integral fluorescence was used for comparison. In this case integral power of fluorescence of human teeth was measured. As a source of probing (stimulated) radiation diode lasers ((lambda) equals655 nm, 0.1 mW and 630 nm, 1 mW) and Ia-Na laser were applied. For registration of signals Si-photodetector was used. Integral power was shown in a digital indicator. Advantages and disadvantages of these methods are described in this research. It is disclosed that the method of laser integral power of fluorescence has the following characteristics: simplicity of construction and schema-technical decisions. However the method of PNC-spectral diagnostics are characterized by considerably more sensitivity in diagnostics of initial caries and capability to differentiate pathologies of various stages (for example, calculus/initial caries). Estimation of spectral characteristics of PNC-signals allows eliminating a number of drawbacks, which are character for detection by method of laser integral fluorescence (for instance, detection of fluorescent fillings, plagues, calculus, discolorations generally, amalgam, gold fillings as if it were caries).

  18. Effects of combined traditional processing methods on the nutritional quality of beans

    PubMed Central

    Nakitto, Aisha M; Muyonga, John H; Nakimbugwe, Dorothy

    2015-01-01

    Consumption of dry beans is limited by long cooking times thus high fuel requirement. The bioavailability of nutrients in beans is also limited due to presence of antinutrients such as phytates and tannins. Little research has been done on combined processing methods for production of nutritious fast cooking bean flour and the effect of combined treatments on nutritional quality of beans has not previously determined. The aim of this study was to reduce cooking time and enhance the nutritional value of dry beans. Specifically to: develop protocols for production of fast cooking bean flours and assess the effect of processing on the nutritional characteristics of the flours. Dry beans (K131 variety) were soaked for 12 h; sprouted for 48 h; dehulled and steamed for 25 and 15 min for whole and dehulled beans respectively or roasted at 170°C for 45 and 15 min for whole and dehulled beans respectively. Dehulling eliminated phytates and tannins and increased protein digestibility. In vitro protein digestibility and mineral (iron and zinc) extractability were negatively correlated with tannin and phytate content. Total available carbohydrates were highest in moist heat-treated bean flours. Overall, combined processing of beans improved the nutritional quality of dry beans and the resulting precooked flours need less cooking time compared to whole dry beans. PMID:25987998

  19. EVALUATION OF EXTRACTION AND SPECTROSCOPIC METHODS FOR PB SPECIATION IN AN AMENDED SOIL

    EPA Science Inventory

    Immobilization of pyromorphite (Pbs(PO4hCI) via P amendments to Pb contaminated soils is proving to be a viable method of remediation. However, the issue of ascertaining the amount of soil Pb converted to pyromorphite is difficult in heterogeneous soil systems. Previous attempts ...

  20. Flow cytometry for intracellular SPION quantification: specificity and sensitivity in comparison with spectroscopic methods

    PubMed Central

    Friedrich, Ralf P; Janko, Christina; Poettler, Marina; Tripal, Philipp; Zaloga, Jan; Cicha, Iwona; Drr, Stephan; Nowak, Johannes; Odenbach, Stefan; Slabu, Ioana; Liebl, Maik; Trahms, Lutz; Stapf, Marcus; Hilger, Ingrid; Lyer, Stefan; Alexiou, Christoph

    2015-01-01

    Due to their special physicochemical properties, iron nanoparticles offer new promising possibilities for biomedical applications. For bench to bedside translation of super-paramagnetic iron oxide nanoparticles (SPIONs), safety issues have to be comprehensively clarified. To understand concentration-dependent nanoparticle-mediated toxicity, the exact quantification of intracellular SPIONs by reliable methods is of great importance. In the present study, we compared three different SPION quantification methods (ultraviolet spectrophotometry, magnetic particle spectroscopy, atomic adsorption spectroscopy) and discussed the shortcomings and advantages of each method. Moreover, we used those results to evaluate the possibility to use flow cytometric technique to determine the cellular SPION content. For this purpose, we correlated the side scatter data received from flow cytometry with the actual cellular SPION amount. We showed that flow cytometry provides a rapid and reliable method to assess the cellular SPION content. Our data also demonstrate that internalization of iron oxide nanoparticles in human umbilical vein endothelial cells is strongly dependent to the SPION type and results in a dose-dependent increase of toxicity. Thus, treatment with lauric acid-coated SPIONs (SEONLA) resulted in a significant increase in the intensity of side scatter and toxicity, whereas SEONLA with an additional protein corona formed by bovine serum albumin (SEONLA-BSA) and commercially available Rienso particles showed only a minimal increase in both side scatter intensity and cellular toxicity. The increase in side scatter was in accordance with the measurements for SPION content by the atomic adsorption spectroscopy reference method. In summary, our data show that flow cytometry analysis can be used for estimation of uptake of SPIONs by mammalian cells and provides a fast tool for scientists to evaluate the safety of nanoparticle products. PMID:26170658

  1. The comparison of composite aircraft field repair method (cafrm) with traditional aircraft repair technologies

    NASA Astrophysics Data System (ADS)

    Whelan, Mary Elizabeth

    The sulfur biogeochemical cycle includes biotic and abiotic processes important to global climate, atmospheric chemistry, food security, and the study of related cycles. The largest flux of sulfur on Earth is weathering from the continents into the sulfate-rich oceans; one way in which sulfur can be returned to land is through transport of reduced sulfur gases via the atmosphere. Here I developed a method for quantifying low-level environmental fluxes of several sulfur-containing gases, H2S, COS, CH3SCH 3 (DMS), and HSCH3, between terrestrial ecosystems and the atmosphere. COS is the most prevalent reduced sulfur gas in the atmosphere, considered to be inert in the troposphere except for its uptake in plant leaves and to a smaller extent aerobic soils. This dissertation reports two surprising cases that go against conventional thinking about the sulfur cycle. We found that the common salt marsh plant Batis maritima can mediate net COS production to the atmosphere. We also found that an aerobic wheat field soil produces COS abiotically when incubated in the dark at > 25 °C and at lower temperatures under light conditions. We then sought to separately quantify plant and soil sulfur gas fluxes by undertaking a year-long field campaign in a grassland with a Mediterranean climate, where green plants were present only half of the year. We measured in situ soil fluxes of COS and DMS during the non- growing dry season, using water additions to simulate soil fluxes of the growing, wet season. COS and CO2 are consumed in a predictable ratio by enzymes involved in photosynthetic pathways; however, while CO2 is released by back diffusion and autorespiration, COS is usually not generated by plants. Using measurements during the growing season, we were then able to calculate gross primary production by using the special relationship between CO2 and COS. This dissertation has developed a greater understanding of the vagaries of the atmospheric-terrestrial sulfur cycle and explored using that cycle as a tool for studying the carbon cycle.

  2. [Interaction between ambroxol hydrochloride and human serum albumin studied by spectroscopic and molecular modeling methods].

    PubMed

    Liang, Jing; Feng, Su-Ling

    2011-04-01

    In the present paper, the interaction between ambroxol hydrochloride (ABX) and human serum albumin (HSA) was studied under simulative physiological condition by spectroscopy and molecular modeling method. Stern-Volmer curvers at different temperatures and UV-Vis absorption spectroscopy showed that ABX quenched the fluorescence of HSA mainly through dynamic quenching mode. On the basis of the thermodynamic data, the main binding force between them is hydrophobic interaction. According to the theory of Forster non-radiation energy transfer, the binding distance between the donor and the acceptor was 3.01 nm. The effect of ABX on the conformation of HSA was analyzed by the synchronous and three-dimensional fluorescence spectroscopy. Furthermore, using the molecular modeling method, the interaction between them was predicted from molecular angle: ABX might locate in the subdomain III A of HSA. PMID:21714251

  3. Determining spectroscopic redshifts by using k nearest neighbor regression. I. Description of method and analysis

    NASA Astrophysics Data System (ADS)

    Kgler, S. D.; Polsterer, K.; Hoecker, M.

    2015-04-01

    Context. In astronomy, new approaches to process and analyze the exponentially increasing amount of data are inevitable. For spectra, such as in the Sloan Digital Sky Survey spectral database, usually templates of well-known classes are used for classification. In case the fitting of a template fails, wrong spectral properties (e.g. redshift) are derived. Validation of the derived properties is the key to understand the caveats of the template-based method. Aims: In this paper we present a method for statistically computing the redshift z based on a similarity approach. This allows us to determine redshifts in spectra for emission and absorption features without using any predefined model. Additionally, we show how to determine the redshift based on single features. As a consequence we are, for example, able to filter objects that show multiple redshift components. Methods: The redshift calculation is performed by comparing predefined regions in the spectra and individually applying a nearest neighbor regression model to each predefined emission and absorption region. Results: The choice of the model parameters controls the quality and the completeness of the redshifts. For ?90% of the analyzed 16 000 spectra of our reference and test sample, a certain redshift can be computed that is comparable to the completeness of SDSS (96%). The redshift calculation yields a precision for every individually tested feature that is comparable to the overall precision of the redshifts of SDSS. Using the new method to compute redshifts, we could also identify 14 spectra with a significant shift between emission and absorption or between emission and emission lines. The results already show the immense power of this simple machine-learning approach for investigating huge databases such as the SDSS.

  4. The CREATE Method Does Not Result in Greater Gains in Critical Thinking than a More Traditional Method of Analyzing the Primary Literature †

    PubMed Central

    Segura-Totten, Miriam; Dalman, Nancy E.

    2013-01-01

    Analysis of the primary literature in the undergraduate curriculum is associated with gains in student learning. In particular, the CREATE (Consider, Read, Elucidate hypotheses, Analyze and interpret the data, and Think of the next Experiment) method is associated with an increase in student critical thinking skills. We adapted the CREATE method within a required cell biology class and compared the learning gains of students using CREATE to those of students involved in less structured literature discussions. We found that while both sets of students had gains in critical thinking, students who used the CREATE method did not show significant improvement over students engaged in a more traditional method for dissecting the literature. Students also reported similar learning gains for both literature discussion methods. Our study suggests that, at least in our educational context, the CREATE method does not lead to higher learning gains than a less structured way of reading primary literature. PMID:24358379

  5. A quantitative solid-state Raman spectroscopic method for control of fungicides.

    PubMed

    Ivanova, Bojidarka; Spiteller, Michael

    2012-07-21

    A new analytical procedure using solid-state Raman spectroscopy within the THz-region for the quantitative determination of mixtures of different conformations of trifloxystrobin (EE, EZ, ZE and ZZ), tebuconazole (1), and propiconazole (2) as an effective method for the fungicide product quality monitoring programmes and control has been developed and validated. The obtained quantities were controlled independently by the validated hybrid HPLC electrospray ionization (ESI) tandem mass spectrometric (MS) and matrix-assisted laser desorption/ionization (MALDI) MS methods in the condensed phase. The quantitative dependences were obtained on the twenty binary mixtures of the analytes and were further tested on the three trade fungicide products, containing mixtures of trifloxystrobin-tebuconazole and trifloxystrobin-propiconazole, as an emissive concentrate or water soluble granules of the active ingredients. The present methods provided sufficient sensitivity as reflected by the metrologic quantities, evaluating the concentration limit of detection (LOD) and quantification (LOQ), linear limit (LL), measurement accuracy and precision, true quantity value, trueness of measurement and more. PMID:22679621

  6. Comparison of diffusive gradients in thin film technique with traditional methods for evaluation of zinc bioavailability in soils.

    PubMed

    Sun, Qin; Chen, Jing; Ding, Shiming; Yao, Yu; Chen, Yifei

    2014-10-01

    The technique of diffusive gradients in thin film (DGT) has been shown to be a promising tool to assess zinc (Zn) bioavailability in soils, but there exists considerable debate on its suitability. In this study, Zn bioavailability was systematically investigated in wheat- and maize-grown soils using this technique and seven traditional methods, including soil solution concentration and six widely used single-step extraction methods (HAc, EDTA, NaAc, NH4Ac, CaCl?, and MgCl?). The concentrations of Zn in the shoots and roots of these two plant species increased continuously with increasing additions of Zn to the soils, accompanied by significant decreases in shoot biomass and root biomass at Zn concentrations greater than 400 mg kg(-1) for maize and 800 mg kg(-1) for wheat. Zinc uptake and accumulation was higher in maize roots than in wheat roots. Both the concentrations of bioavailable Zn measured by DGT (CDGT) and soil solutions (Csol) increased linearly with increasing additions of Zn to the soils, while no strong linear relationships were observed for the extraction methods. Higher concentrations of extractable Zn, lower values of Csol, and larger values of R (i.e., the ratio of CDGT to Csol) were observed in maize-grown soils compared with those of wheat-grown soils, while the values of C DGT between the two plants were similar. These findings demonstrate that there likely exists a stronger resupply of Zn from the soil solid phases in maize-grown soils to satisfy a higher Zn uptake and accumulation in this plant. Linear correlation analyses showed that CDGT had the highest correlation coefficients with plant Zn concentrations compared with other traditional methods, implying that the DGT technique is more sensitive and robust in reflecting Zn bioavailability in soils to plants. PMID:24942518

  7. Retrieval of terahertz spectroscopic signatures in the presence of rough surface scattering using wavelet methods

    NASA Astrophysics Data System (ADS)

    Arbab, M. H.; Winebrenner, D. P.; Thorsos, E. I.; Chen, A.

    2010-11-01

    Scattering of terahertz waves by surface roughness can obscure spectral signatures of chemicals at these frequencies. We demonstrate this effect using controlled levels of surface scattering on ?-lactose monohydrate pellets. Furthermore, we show an implementation of wavelet methods that can retrieve terahertz spectral information from rough surface targets. We use a multiresolution analysis of the rough-surface-scattered signal utilizing the maximal overlap discrete wavelet transform (MODWT) to extract the resonant signature of lactose. We present a periodic extension technique to circumvent the circular boundary conditions of MODWT, which can be robustly used in an automated terahertz stand-off detection device.

  8. Identification of different iron sites in ?-Ga2O3 nanoparticles by spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Toloman, D.; Popa, A.; Stan, M.; Silipas, T. D.; Biris, A. R.

    2015-12-01

    This paper reports the influence of Fe doping degree (1%, 3%, 5%) on structural and optical characteristics of gallium oxide nanoparticles evidenced by XRD, Raman, UV-vis and EPR methods. XRD studies reveal a monoclinic ?-Ga2O3 structure. The lattice expansion sustains the substitutional incorporation of Fe ions in Ga2O3 host. The presence of a ?Fe2O3 secondary phase was evidenced for the samples doped with 3 and 5 % Fe only by Raman scattering. From UV-Vis absorption and EPR spectroscopy was evidenced the presence of isolated Fe3+ ions in octahedral sites, Fe2O3 particles, Fex3+Oy and oligomeric clusters.

  9. Comparison of immunomagnetic separation/adenosine triphosphate rapid method to traditional culture-based method for E. coli and enterococci enumeration in wastewater

    USGS Publications Warehouse

    Bushon, R.N.; Likirdopulos, C.A.; Brady, A.M.G.

    2009-01-01

    Untreated wastewater samples from California, North Carolina, and Ohio were analyzed by the immunomagnetic separation/adenosine triphosphate (IMS/ATP) method and the traditional culture-based method for E. coli and enterococci concentrations. The IMS/ATP method concentrates target bacteria by immunomagnetic separation and then quantifies captured bacteria by measuring bioluminescence induced by release of ATP from the bacterial cells. Results from this method are available within 1 h from the start of sample processing. Significant linear correlations were found between the IMS/ATP results and results from traditional culture-based methods for E. coli and enterococci enumeration for one location in California, two locations in North Carolina, and one location in Ohio (r??values ranged from 0.87 to 0.97). No significant linear relation was found for a second location in California that treats a complex mixture of residential and industrial wastewater. With the exception of one location, IMS/ATP showed promise as a rapid method for the quantification of faecal-indicator organisms in wastewater.

  10. Magnetic resonance spectroscopic methods for the assessment of metabolic functions in the diseased brain.

    PubMed

    Hall, Hlne; Cuellar-Baena, Sandra; Dahlberg, Carina; In't Zandt, Ren; Denisov, Vladimir; Kirik, Deniz

    2012-01-01

    Magnetic resonance spectroscopy (MRS) is a non-invasive technique that can be used to detect and quantify multiple metabolites. This chapter will review some of the applications of MRS to the study of brain functions. Typically, (1)H-MRS can detect metabolites reflecting neuronal density and integrity, markers of energy metabolism or inflammation, as well as neurotransmitters. The complexity of the proton spectrum has however led to the development of other nuclei-based methods, such as (31)P- and (13)C-MRS, which offer a broader chemical shift range and therefore can provide more detailed information at the level of single metabolites. The versatility of MRS allows for a wide range of clinical applications, of which neurodegeneration is an interesting target for spectroscopy-based studies. In particular, MRS can identify patterns of altered brain chemistry in Alzheimer's patients and can help establish differential diagnosis in Alzheimer's and Parkinson's diseases. Using MRS to follow less abundant neurotransmitters is currently out of reach and will most likely depend on the development of methods such as hyperpolarization that can increase the sensitivity of detection. In particular, dynamic nuclear polarization has opened up a new and exciting area of medical research, with developments that could greatly impact on the real-time monitoring of in vivo metabolic processes in the brain. PMID:22076698

  11. Investigation on the protein-binding properties of icotinib by spectroscopic and molecular modeling method.

    PubMed

    Zhang, Hua-Xin; Xiong, Hang-Xing; Li, Li-Wei

    2016-05-15

    Icotinib is a highly-selective epidermal growth factor receptor tyrosine kinase inhibitor with preclinical and clinical activity in non-small cell lung cancer, which has been developed as a new targeted anti-tumor drug in China. In this work, the interaction of icotinib and human serum albumin (HSA) were studied by three-dimensional fluorescence spectra, ultraviolet spectra, circular dichroism (CD) spectra, molecular probe and molecular modeling methods. The results showed that icotinib binds to Sudlow's site I in subdomain IIA of HSA molecule, resulting in icotinib-HSA complexes formed at ground state. The number of binding sites, equilibrium constants, and thermodynamic parameters of the reaction were calculated at different temperatures. The negative enthalpy change (ΔH(θ)) and entropy change (ΔS(θ)) indicated that the structure of new complexes was stabilized by hydrogen bonds and van der Waals power. The distance between donor and acceptor was calculated according to Förster's non-radiation resonance energy transfer theory. The structural changes of HSA caused by icotinib binding were detected by synchronous spectra and circular dichroism (CD) spectra. Molecular modeling method was employed to unfold full details of the interaction at molecular level, most of which could be supported by experimental results. The study analyzed the probability that serum albumins act as carriers for this new anticarcinogen and provided fundamental information on the process of delivering icotinib to its target tissues, which might be helpful in understanding the mechanism of icotinib in cancer therapy. PMID:26963729

  12. Identification of pyrazosulfuron-ethyl binding affinity and binding site subdomain IIA in human serum albumin by spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Ding, Fei; Liu, Wei; Zhang, Xi; Wu, Li-Jun; Zhang, Li; Sun, Ying

    2010-03-01

    Pyrazosulfuron-ethyl (PY) is a sulfonylurea herbicide developed by DuPont which has been widely used for weed control in cereals. The determination of PY binding affinity and binding site in human serum albumin (HSA) by spectroscopic methods is the subject of this work. From the fluorescence emission, circular dichroism and three-dimensional fluorescence results, the interaction of PY with HSA caused secondary structure changes in the protein. Fluorescence data demonstrated that the quenching of HSA fluorescence by PY was the result of the formation of HSA-PY complex at 1:1 molar ratio, a static mechanism was confirmed to lead to the fluorescence quenching. Hydrophobic probe 8-anilino-1-naphthalenesulfonic acid (ANS) displacement results show that hydrophobic patches are the major sites for PY binding on HSA. The thermodynamic parameters ? H and ? S were calculated to be -36.32 kJ mol -1 and -35.91 J mol -1 K -1, which illustrated van der Waals forces and hydrogen bonds interactions were the dominant intermolecular force in stabilizing the complex. Also, site marker competitive experiments showed that the binding of PY to HSA took place primarily in subdomain IIA (Sudlow's site I). What presented in this paper binding research enriches our knowledge of the interaction between sulfonylurea herbicides and the physiologically important protein HSA.

  13. Identification of pyrazosulfuron-ethyl binding affinity and binding site subdomain IIA in human serum albumin by spectroscopic methods.

    PubMed

    Ding, Fei; Liu, Wei; Zhang, Xi; Wu, Li-Jun; Zhang, Li; Sun, Ying

    2010-03-01

    Pyrazosulfuron-ethyl (PY) is a sulfonylurea herbicide developed by DuPont which has been widely used for weed control in cereals. The determination of PY binding affinity and binding site in human serum albumin (HSA) by spectroscopic methods is the subject of this work. From the fluorescence emission, circular dichroism and three-dimensional fluorescence results, the interaction of PY with HSA caused secondary structure changes in the protein. Fluorescence data demonstrated that the quenching of HSA fluorescence by PY was the result of the formation of HSA-PY complex at 1:1 molar ratio, a static mechanism was confirmed to lead to the fluorescence quenching. Hydrophobic probe 8-anilino-1-naphthalenesulfonic acid (ANS) displacement results show that hydrophobic patches are the major sites for PY binding on HSA. The thermodynamic parameters DeltaH degrees and DeltaS degrees were calculated to be -36.32 kJ mol(-1) and -35.91 J mol(-1)K(-1), which illustrated van der Waals forces and hydrogen bonds interactions were the dominant intermolecular force in stabilizing the complex. Also, site marker competitive experiments showed that the binding of PY to HSA took place primarily in subdomain IIA (Sudlow's site I). What presented in this paper binding research enriches our knowledge of the interaction between sulfonylurea herbicides and the physiologically important protein HSA. PMID:20064739

  14. The stability investigation of compound Danshen injection (a traditional medicine) with a new high-performance liquid chromatography method

    PubMed Central

    Zhang, Yanqing; Bao, Fengqin; Zhao, Zhixia; Sun, Xiuyu; Qi, Wuqin; Xie, Junbo

    2013-01-01

    Background: Compound Danshen injection (CDSI, a traditional medicine) is an effective drug for the treatment of cardiovascular and cerebrovascular diseases. However, the research about its stability is absent. Objective: A new high-performance liquid chromatography method was developed to assay its main effective constituents, i.e., propanoid acid (PA), protocatechuic aldehyde (PHA), salvianolic acid B (SAB), salvianolic acid A (SAA), and rosmarinic acid (RA). Through the newly found method, the stability of CDSI was to be investigated. Materials and Methods: The analysis was performed by a reverse-phase gradient elution using an aqueous mobile phase (containing 0.1% acetic acid) modified by acetonitrile, and detection was made simultaneously at 280 nm and 325 nm. The method was validated for accuracy, precision and limits of detection. The effects of some environmental storage conditions (light and temperature) on the stability of CDSI were investigated. Results: This method is precise, simple, and convenient. The result showed that illumination and temperature had an obvious effect on CDSI's stability. SAA is the most unstable one among the five components. In the condition of common light, it decomposed rapidly to almost 50% after only 4 h, and 100% after 8 h. PA, RA, and PHA might come from Danshen, was also the transformed products from other components in store process. Conclusion: The result indicated that the main active constituents in CDSI suffered from the illumination and temperature greatly. CDSI should be stored at low temperature and kept away from light. PMID:24124286

  15. Spectroscopic characterizations of Er doped LaPO4 submicron phosphors prepared by homogeneous precipitation method

    NASA Astrophysics Data System (ADS)

    Saltmarsh, N.; Kumar, G. A.; Kailasnath, M.; Shenoy, Vittal; Santhosh, C.; Sardar, D. K.

    2016-03-01

    Hexagonal shaped LaPO4 submicron particles doped with various concentrations of Er were successfully prepared by homogenous precipitation method using metal nitrates and ammonium phosphate. Particles of approximate particle size 125 nm and size distribution of 85 nm are obtained with good crystallinity. After heat treatment at 1200 °C for 2 h, the particles are characterized for their various optical properties such as absorption, emission, fluorescence decay and optical band gap. Optical absorption and emission data are numerically analyzed with the help of Judd-Ofelt model to evaluate various radiative spectral properties such as radiative decay rates, radiative quantum yield, emission cross-section and fluorescence branching ratios of various emission transitions. Though the radiative quantum yield of 1554 nm emission approaches the theoretical limit of 100%, the experimentally measured quantum yield is only 11% at 12 W/cm2 at 980 nm excitation power density in 2% Er doped LaPO4.

  16. Interaction Behavior Between Niclosamide and Pepsin Determined by Spectroscopic and Docking Methods.

    PubMed

    Guo, Liuqi; Ma, Xiaoli; Yan, Jin; Xu, Kailin; Wang, Qing; Li, Hui

    2015-11-01

    The interaction between niclosamide (NIC) and pepsin was investigated using multispectroscopic and molecular docking methods. Binding constant, number of binding sites, and thermodynamic parameters at different temperatures were measured. Results of fluorescence quenching and synchronous fluorescence spectroscopy in combination with three-dimensional fluorescence spectroscopy showed that changes occurred in the microenvironment of tryptophan residues and the molecular conformation of pepsin. Molecular interaction distance and energy-transfer efficiency between pepsin and NIC were determined based on Frster nonradiative energy-transfer mechanism. Furthermore, the binding of NIC inhibited pepsin activity in vitro. All these results indicated that NIC bound to pepsin mainly through hydrophobic interactions and hydrogen bonds at a single binding site. In conclusion, this study provided substantial molecular-level evidence that NIC could induce changes in pepsin structure and conformation. PMID:26410777

  17. Characterization of the Interaction between Eupatorin and Bovine Serum Albumin by Spectroscopic and Molecular Modeling Methods

    PubMed Central

    Xu, Hongliang; Yao, Nannan; Xu, Haoran; Wang, Tianshi; Li, Guiying; Li, Zhengqiang

    2013-01-01

    This study investigated the interaction between eupatorin and bovine serum albumin (BSA) using ultraviolet-visible (UV-vis) absorption, fluorescence, synchronous fluorescence, circular dichroism (CD) spectroscopies, and molecular modeling at pH 7.4. Results of UV-vis and fluorescence spectroscopies illustrated that BSA fluorescence was quenched by eupatorin via a static quenching mechanism. Thermodynamic parameters revealed that hydrophobic and electrostatic interactions played major roles in the interaction. Moreover, the efficiency of energy transfer, and the distance between BSA and acceptor eupatorin, were calculated. The effects of eupatorin on the BSA conformation were analyzed using UV-vis, CD, and synchronous fluorescence. Finally, the binding of eupatorin to BSA was modeled using the molecular docking method. PMID:23839090

  18. Synthesis and spectroscopic characterization of gold nanobipyramids prepared by a chemical reduction method

    NASA Astrophysics Data System (ADS)

    Thanh Ngo, Vo Ke; Phat Huynh, Trong; Giang Nguyen, Dang; Phuong Uyen Nguyen, Hoang; Lam, Quang Vinh; Dat Huynh, Thanh

    2015-12-01

    Gold nanobipyramids (NBPs) have attracted much attention because they have potential for applications in smart sensing devices, such as medical diagnostic equippments. This is due to the fact that they show more advantageous plasmonic properties than other gold nanostructures. We describe a chemical reduction method for synthesizing NBPs using conventional heating with ascorbic acid reduction and cetyltrimethylamonium bromide (CTAB) + AgNO3 as capping agents. The product was characterized by ultravioletvisible spectroscopy (UVvis), Fourier transmission infrared spectroscopy (FTIR), transmission electron microscopy (TEM), x-ray powder diffraction (XRD). The results showed that gold nanoparticles were formed with bipyramid shape (tip-to-tip distance of 88.4 9.4 nm and base length of 29.9 3.2 nm) and face-centered-cubic crystalline structure. Optimum parameters for preparation of NBPs are also found.

  19. Interaction between deferiprone and human serum albumin: multi-spectroscopic, electrochemical and molecular docking methods.

    PubMed

    Seyed Dorraji, M S; Panahi Azar, V; Rasoulifard, M H

    2014-11-20

    The interactions between deferiprone (DEP) and human serum albumin (HSA) have been investigated systematically by fluorescence, Circular dichroism (CD) spectroscopy, UV-Vis absorption spectroscopy, electrochemistry and molecular modeling methods. The fluorescence quenching observed is attributed to the formation of a complex between HSA and DEP, and the reverse temperature effect of the fluorescence quenching has been found and discussed. The thermodynamic parameters, enthalpy changes (?H) and entropy change (?S) were calculated, according to the Van't Hoff equation. These data suggested that hydrophobic interaction was the predominant intermolecular forces stabilizing the complex, which was in good agreement with the results of molecular modeling study. The primary binding pattern is determined by hydrophobic interaction occurring in Sudlow's site I of HSA. DEP could slightly change the secondary structure and induce unfolding of the polypeptides of protein. An average binding distance of ?2.88 nm has been determined on the basis of the Frster's resonance energy theory (FRET). PMID:25159837

  20. Vibrational spectroscopic methods for the overall quality analysis of washing powders.

    PubMed

    Bittner, L K; Schönbichler, S A; Schmutzler, M; Lutz, O M D; Huck, C W

    2016-02-01

    The aim of this study was to compare and evaluate the ability of near infrared- (NIR), Raman- and attenuated-total-reflection infrared (ATR-IR) spectroscopy as tools for the identification of washing powder brands as well as for an overall quantitative analysis of all ingredients of the analyzed laundry detergents. The laundry detergents used in this work were composed of 22 different ingredients. For this purpose, principal component analysis (PCA) cluster models and partial least-squares (PLS) regression models were developed and different data pre-processing algorithms such as standard-normal-variate (SNV), multiplicative scatter correction (MSC), first derivative BCAP (db1), second derivative smoothing (ds2), smoothing Savitzky Golay 9 points (sg9) as well as different normalization procedures such as normalization between 0 and 1 (n01), normalization unit length (nle) or normalization by closure (ncl) were applied to reduce the influence of systematic disturbances. The performance of the methods was evaluated by comparison of the number of principal components (PCs), regression coefficient (r), Bias, Standard error of prediction (SEP), ratio performance deviation (RPD) and range error ratio (RER) for each calibration model. For each of the 22 ingredients separate calibration models were developed. Raman spectroscopy was suitable for the analysis of only two ingredients (dye transfer inhibitor 1 and surfactant 6) and it was not possible to record all Raman spectra due to high fluorescence. NIR and ATR-IR are powerful methods to analyze washing detergents with low numbers of PCs being necessary, regression coefficients of only little below 1, small Biases and SEPs compared to the range and high RPDs and RERs. PMID:26653457

  1. An Internet compendium of analytical methods and spectroscopic information for monomers and additives used in food packaging plastics.

    PubMed

    Gilbert, J; Simoneau, C; Cote, D; Boenke, A

    2000-10-01

    An internet website (http:cpf.jrc.it/smt/) has been produced as a means of dissemination of methods of analysis and supporting spectroscopic information on monomers and additives used for food contact materials (principally packaging). The site which is aimed primarily at assisting food control laboratories in the European Union contains analytical information on monomers, starting substances and additives used in the manufacture of plastics materials. A searchable index is provided giving PM and CAS numbers for each of 255 substances. For each substance a data sheet gives regulatory information, chemical structures, physico-chemical information and background information on the use of the substance in particular plastics, and the food packaging applications. For monomers and starting substances (155 compounds) the infra-red and mass spectra are provided, and for additives (100 compounds); additionally proton NMR are available for about 50% of the entries. Where analytical methods have been developed for determining these substances as residual amounts in plastics or as trace amounts in food simulants these methods are also on the website. All information is provided in portable document file (PDF) format which means that high quality copies can be readily printed, using freely available Adobe Acrobat Reader software. The website will in future be maintained and up-dated by the European Commission's Joint Research Centre (JRC) as new substances are authorized for use by the European Commission (DG-ENTR formerly DGIII). Where analytical laboratories (food control or other) require reference substances these can be obtained free-of-charge from a reference collection housed at the JRC and maintained in conjunction with this website compendium. PMID:11103275

  2. Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods

    NASA Astrophysics Data System (ADS)

    Cyra?ski, Micha? K.; Jezierska, Aneta; Klimentowska, Paulina; Panek, Jaros?aw J.; ?ukowska, Gra?yna Z.; Sporzy?ski, Andrzej

    2008-03-01

    Boronic acids have emerged as one of the most useful class of organoboron molecules, with application in synthesis, catalysis, analytical chemistry, supramolecular chemistry, biology, and medicine. In this study, the structural and spectroscopic properties of n-butylboronic acid were investigated using experimental and theoretical approaches. X-ray crystallography method provided structural information on the studied compound in the solid state. Infrared and Raman spectroscopy served as tools for the data collection on vibrational modes of the analyzed system. Car-Parrinello molecular dynamics simulations in solid state were carried out at 100 and 293K to investigate an environmental and temperature influence on molecular properties of the n-butylboronic acid. Analysis of interatomic distances of atoms involved in the intermolecular hydrogen bond was performed to study the proton motion in the crystal. Subsequently, Fourier transform of autocorrelation functions of atomic velocities and dipole moment was applied to study the vibrational properties of the compound. In addition, the inclusion of quantum nature of proton motion was performed for O-H stretching vibrational mode by application of the envelope method for intermolecular hydrogen-bonded system. The second part of the computational study consists of simulations performed in vacuo. Monomeric and dimeric forms of the n-butylboronic acid were investigated using density functional theory and Mller-Plesset second-order perturbation method. The basis set superposition error was estimated. Finally, atoms in molecules (AIM) theory was applied to study electron density topology and properties of the intermolecular hydrogen bond. Successful reproduction of the molecular properties of the n-butylboronic acid by computational methodologies, presented in the manuscript, indicates the way for future studies of large boron-containing organic systems of importance in biology or materials science.

  3. Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods.

    PubMed

    Cyra?ski, Micha? K; Jezierska, Aneta; Klimentowska, Paulina; Panek, Jaros?aw J; Zukowska, Grazyna Z; Sporzy?ski, Andrzej

    2008-03-28

    Boronic acids have emerged as one of the most useful class of organoboron molecules, with application in synthesis, catalysis, analytical chemistry, supramolecular chemistry, biology, and medicine. In this study, the structural and spectroscopic properties of n-butylboronic acid were investigated using experimental and theoretical approaches. X-ray crystallography method provided structural information on the studied compound in the solid state. Infrared and Raman spectroscopy served as tools for the data collection on vibrational modes of the analyzed system. Car-Parrinello molecular dynamics simulations in solid state were carried out at 100 and 293 K to investigate an environmental and temperature influence on molecular properties of the n-butylboronic acid. Analysis of interatomic distances of atoms involved in the intermolecular hydrogen bond was performed to study the proton motion in the crystal. Subsequently, Fourier transform of autocorrelation functions of atomic velocities and dipole moment was applied to study the vibrational properties of the compound. In addition, the inclusion of quantum nature of proton motion was performed for O-H stretching vibrational mode by application of the envelope method for intermolecular hydrogen-bonded system. The second part of the computational study consists of simulations performed in vacuo. Monomeric and dimeric forms of the n-butylboronic acid were investigated using density functional theory and Moller-Plesset second-order perturbation method. The basis set superposition error was estimated. Finally, atoms in molecules (AIM) theory was applied to study electron density topology and properties of the intermolecular hydrogen bond. Successful reproduction of the molecular properties of the n-butylboronic acid by computational methodologies, presented in the manuscript, indicates the way for future studies of large boron-containing organic systems of importance in biology or materials science. PMID:18376948

  4. PDT in the thoracic cavity: Spectroscopic methods and fluence modeling for treatment planning

    NASA Astrophysics Data System (ADS)

    Meo, Julia Lauren

    PDT for the thoracic cavity provides a promising cancer treatment modality, but improvements in treatment planning, particularly in PDT dosimetry, can be made to improve uniformity of light delivery. When a cavity of arbitrary geometry is illuminated, the fluence increases due to multiple-scattered photons, referred to as the Integrating Sphere Effect (ISE). Current pleural PDT treatment protocol at the University of Pennsylvania monitors light fluence (hereafter simply fluence, measured in W/cm2) via seven isotropic detectors sutured at different locations in thoracic cavity of a patient. This protocol monitors light at discrete locations, but does not provide a measurement of fluence for the thoracic cavity as a whole. Current calculation of light fluence includes direct light only and thus does not account for the unique optical properties of each tissue type present, which in turn affects the accuracy of the calculated light distribution in the surrounding tissue and, in turn, the overall cell death and treatment efficacy. Treatment planning for pleural PDT can be improved, in part, by considering the contribution of scattered light, which is affected by the two factors of geometry and in vivo optical properties. We expanded the work by Willem Star in regards to the ISE in a spherical cavity. A series of Monte Carlo (MC) simulations were run for semi-infinite planar, spherical, and ellipsoidal geometries for a range of optical properties. The results of these simulations are compared to theory and numerical solutions for fluence in the cavity and at the cavity-medium boundary. The development via MC simulations offers a general method of calculating the required light fluence specialized to each patient, based on the treatment surface area. The scattered fluence calculation is dependent on in vivo optical properties (?a and ?s') of the tissues treated. Diffuse reflectance and fluorescence spectroscopy methods are used to determine the optical properties and oxygenation (reflectance measurements) and drug concentration (fluorescence measurements) of different tissues in vivo, before and after treatment, in patients enrolled the Phase I HPPH study ongoing at the University of Pennsylvania. This work aims to provide the building blocks essential to pleural PDT treatment planning by more accurately calculating the required fluence using a model that accounts for the effects of treatment geometry and optical properties measured in vivo.

  5. Structure activity studies of an analgesic drug tapentadol hydrochloride by spectroscopic and quantum chemical methods

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Santhanam, R.; Marchewka, M. K.; Mohan, S.; Yang, Haifeng

    2015-11-01

    Tapentadol is a novel opioid pain reliever drug with a dual mechanism of action, having potency between morphine and tramadol. Quantum chemical calculations have been carried out for tapentadol hydrochloride (TAP.Cl) to determine the properties. The geometry is optimised and the structural properties of the compound were determined from the optimised geometry by B3LYP method using 6-311++G(d,p), 6-31G(d,p) and cc-pVDZ basis sets. FT-IR and FT-Raman spectra are recorded in the solid phase in the region of 4000-400 and 4000-100 cm-1, respectively. Frontier molecular orbital energies, LUMO-HOMO energy gap, ionisation potential, electron affinity, electronegativity, hardness and chemical potential are also calculated. The stability of the molecule arising from hyperconjugative interactions and charge delocalisation has been analysed using NBO analysis. The 1H and 13C nuclear magnetic resonance chemical shifts of the molecule are analysed.

  6. Investigation on interaction between Ligupurpuroside A and pepsin by spectroscopic and docking methods.

    PubMed

    Shen, Liangliang; Xu, Hong; Huang, Fengwen; Li, Yi; Xiao, Huafeng; Yang, Zhen; Hu, Zhangli; He, Zhendan; Zeng, Zheling; Li, Yinong

    2015-01-25

    Ligupurpuroside A is one of the major glycoside in Ku-Din-Cha, a type of Chinese functional tea. In order to better understand its digestion and metabolism in humans, the interaction between Ligupurpuroside A and pepsin has been investigated by fluorescence spectra, UV-vis absorption spectra and synchronous fluorescence spectra along with molecular docking method. The fluorescence experiments indicate that Ligupurpuroside A can effectively quench the intrinsic fluorescence of pepsin through a combined quenching way at the low concentration of Ligupurpuroside A, and a static quenching procedure at the high concentration. The binding constant, binding sites of Ligupurpuroside A with pepsin have been calculated. The thermodynamic analysis suggests that non-covalent reactions, including electrostatic force, hydrophobic interaction and hydrogen bond are the main forces stabilizing the complex. According to the Frster's non-radiation energy transfer theory, the binding distance between pepsin and Ligupurpuroside A was calculated to be 3.15 nm, which implies that energy transfer occurs between pepsin and Ligupurpuroside A. Conformation change of pepsin was observed from UV-vis absorption spectra and synchronous fluorescence spectra under experimental conditions. In addition, all these experimental results have been validated by the protein-ligand docking studies which show that Ligupurpuroside A is located in the cleft between the domains of pepsin. PMID:25078459

  7. Conformational studies of dammarane-type triterpenoids using computational and NMR spectroscopic methods.

    PubMed

    Shin, Byong-Kyu; Lee, Jihyung; Choi, Tae Hoon

    2015-12-01

    Natural triterpenoids are of great interest to researchers of various fields as they possess diverse physicochemical and biological properties. In medicinal chemistry, detailed information about the chemical structures of bioactive triterpenoids often helps find new lead compounds. Herein, the low-energy structures of (20S)-protopanaxadiol and (20S)-protopanaxatriol, the aglycones of various triterpenoid saponins found in Panax ginseng, and their (20R)-epimers have been predicted by the geometry optimization of the conformers extracted from molecular dynamics simulations with the self-consistent-charge density functional tight-binding method. By performing quantum mechanical calculations on the low-energy conformers, we have estimated the NMR chemical shifts of the compounds, which display good agreement with the most recently reported experimental values within an expected range of errors. Our results indicate that theoretical estimation of the NMR parameters of a relatively large molecule with a molecular mass of 500 is feasible. Copyright 2015 John Wiley & Sons, Ltd. PMID:26249364

  8. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method.

    PubMed

    Muthu, S; Prabhakaran, A

    2014-08-14

    In this work, we reported the vibrational spectra of tranexamic acid (TA) by experimental and quantum chemical calculation. The solid phase FT-Raman and FT-IR spectra of the title compound were recorded in the region 4000 cm(-1) to 100 cm(-1) and 4000 cm(-1) to 400 cm(-1) respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of TA in the ground state have been calculated by using density functional theory (DFT) B3LYP method with standard 6-31G(d,p) basis set. The scaled theoretical wavenumber showed very good agreement with the experimental values. The vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the ?(*) and ?(*) antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. The electrostatic potential mapped onto an isodensity surface has been obtained. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase. PMID:24747330

  9. A method for the quantitative gamma spectroscopic analysis of an unusually shaped unknown source.

    PubMed

    Kearfott, Kimberlee J; Dewey, Steven C

    2009-02-01

    An unmarked cylindrical device, identified as a ceramic high voltage capacitor, needed its radioactivity assessed so that proper disposal and shipping requirements could be met. Using a high purity germanium detector, naturally occurring 232Th was identified as the source of radioactivity. A series of point source measurements was made along the length of the item's axis using 60Co, having a gamma ray of nearly the same energy as one of the primary 232Th progeny photopeaks. These measurements were then numerically integrated to determine the response of the detector to a line source. A correction for the self shielding of the item was estimated using Monte Carlo simulations. The item was found to contain approximately 1.85 x 10(5) Bq of uniformly distributed 232Th. The overall method has application to any unusually shaped source, with point source measurements performed using an appropriate radionuclide used to establish an overall sensitivity of the detector, including its dead layer, to the radioactivity in a simple geometric representation of the object. An estimation of self shielding from Monte Carlo is then applied to that result. PMID:19125054

  10. Studies on the interactions of kaempferol to calcineurin by spectroscopic methods and docking.

    PubMed

    Lei, Hong; Qi, Yao; Jia, Zhi-Guang; Lin, Wei-Lin; Wei, Qun

    2009-08-01

    Kaempferol, in our previous study, was a new immunosuppressant on calcineurin (CN), the Ca(2+)/calmodulin (CaM)-dependent protein phosphatase. Here, we examined the interactions of kaempferol with CN by fluorescence spectroscopy (FS), circular dichroism spectroscopy (CD) and docking. Data of kaempferol with CN catalytic subunit (CN A) and its truncated mutant CNAa obtained by FS method showed that the binding stoichiometry of kaempferol/CN A was 1:1, catalytic domain of CN A was the concrete domain for kaempferol binding while other domains contributed a lot to this binding. Distances from kaempferol to each tryptophan (Trp) in CN A by energy transfer experiments and the subsequent docking study interestingly provided the same binding sites for kaempferol, which all located in the non-active site area of CN A catalytic domain, also consisted with our previous conclusion from CN activity assay. Furthermore, CD results showed a much tighter structure of CN A for the inhibitor binding; on the other hand, presence of Ca(2+) and Mn(2+) decreased kaempferol binding on CN A. PMID:19439201

  11. Investigation on interaction between Ligupurpuroside A and pepsin by spectroscopic and docking methods

    NASA Astrophysics Data System (ADS)

    Shen, Liangliang; Xu, Hong; Huang, Fengwen; Li, Yi; Xiao, Huafeng; Yang, Zhen; Hu, Zhangli; He, Zhendan; Zeng, Zheling; Li, Yinong

    2015-01-01

    Ligupurpuroside A is one of the major glycoside in Ku-Din-Cha, a type of Chinese functional tea. In order to better understand its digestion and metabolism in humans, the interaction between Ligupurpuroside A and pepsin has been investigated by fluorescence spectra, UV-vis absorption spectra and synchronous fluorescence spectra along with molecular docking method. The fluorescence experiments indicate that Ligupurpuroside A can effectively quench the intrinsic fluorescence of pepsin through a combined quenching way at the low concentration of Ligupurpuroside A, and a static quenching procedure at the high concentration. The binding constant, binding sites of Ligupurpuroside A with pepsin have been calculated. The thermodynamic analysis suggests that non-covalent reactions, including electrostatic force, hydrophobic interaction and hydrogen bond are the main forces stabilizing the complex. According to the Frster's non-radiation energy transfer theory, the binding distance between pepsin and Ligupurpuroside A was calculated to be 3.15 nm, which implies that energy transfer occurs between pepsin and Ligupurpuroside A. Conformation change of pepsin was observed from UV-vis absorption spectra and synchronous fluorescence spectra under experimental conditions. In addition, all these experimental results have been validated by the protein-ligand docking studies which show that Ligupurpuroside A is located in the cleft between the domains of pepsin.

  12. DNA interaction studies of new nano metal based anticancer agent: validation by spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Tabassum, Sartaj; Sharma, Girish Chandra; Arjmand, Farukh; Azam, Ameer

    2010-05-01

    A new nano dimensional heterobimetallic Cu-Sn containing complex as a potential drug candidate was designed, synthesized and characterized by analytical and spectral methods. The electronic absorption and electron paramagnetic resonance parameters of the complex revealed that the Cu(II) ion exhibits a square pyramidal geometry with the two pyrazole nitrogen atoms, the amine nitrogen atom and the carboxylate oxygen of the phenyl glycine chloride ligand located at the equatorial sites and the coordinated chloride ion occupying an apical position. 119Sn NMR spectral data showed a hexa-coordinated environment around the Sn(IV) metal ion. TEM, AFM and XRD measurements illustrate that the complex could induce the condensation of CT-DNA to a particulate nanostructure. The interaction of the Cu-Sn complex with CT-DNA was investigated by UV-vis absorption and emission spectroscopy, as well as cyclic voltammetric measurements. The results indicated that the complex interacts with DNA through an electrostatic mode of binding with an intrinsic binding constant Kb = 8.42 104 M - 1. The Cu-Sn complex exhibits effective cleavage of pBR322 plasmid DNA by an oxidative cleavage mechanism, monitored at different concentrations both in the absence and in the presence of reducing agents.

  13. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method

    NASA Astrophysics Data System (ADS)

    Muthu, S.; Prabhakaran, A.

    2014-08-01

    In this work, we reported the vibrational spectra of tranexamic acid (TA) by experimental and quantum chemical calculation. The solid phase FT-Raman and FT-IR spectra of the title compound were recorded in the region 4000 cm-1 to 100 cm-1 and 4000 cm-1 to 400 cm-1 respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of TA in the ground state have been calculated by using density functional theory (DFT) B3LYP method with standard 6-31G(d,p) basis set. The scaled theoretical wavenumber showed very good agreement with the experimental values. The vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the ?* and ?* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. The electrostatic potential mapped onto an isodensity surface has been obtained. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase.

  14. IR spectroscopic methods for the investigation of the CO release from CORMs.

    PubMed

    Klein, Moritz; Neugebauer, Ute; Gheisari, Ali; Malassa, Astrid; Jazzazi, Taghreed M A; Froehlich, Frank; Westerhausen, Matthias; Schmitt, Michael; Popp, Jrgen

    2014-07-24

    Carbon monoxide (CO) is a toxic gas for mammals, and despite this fact, it is naturally produced in these organisms and has been proven to be beneficial in medical treatments, too. Therefore, CO-releasing molecules (CORMs) are intensively developed to administer and dose CO for physiological applications. Nearly all of these compounds are metal carbonyl complexes, which have been synthesized and investigated. However, for most of these CORMs, the exact reaction mechanisms of CO release is not completely elucidated, although it is of utmost importance. The widely used myoglobin assay for testing the CO release has several disadvantages, and therefore, different methods have to be applied to characterize CORMs. In this work, different setups of IR absorption spectroscopy are used to analyze and quantify the CO release during the decay of various CORMs: IR spectroscopy of the gas phase is applied to follow the CO liberation, and attenuated total reflection (ATR) IR spectroscopy is used to record the decay of the metal carbonyl. IR spectroscopy supported by DFT calculations yields valuable insights in the CO release reaction mechanism. The focus is set on two different CORMs: CORM-2 (Ru2(CO)(6)Cl(4)) and on the photoactive CORM-S1 (photoCORM [Fe(CO)2(SCH2CH2NH2)2]). Our results indicate that the CO liberation from CORM-2 strongly depends on sodium dithionite, which is required for the commonly applied myoglobin assay and that CORM-S1 loses all its bound CO molecules upon irradiation with blue light. PMID:24978105

  15. Randomized, controlled pilot study comparing large-volume paracentesis using wall suction and traditional glass vacuum bottle methods

    PubMed Central

    Price, Jennifer; Torres, Dawn; Li, Zhiping

    2014-01-01

    Objectives: Large-volume paracentesis (LVP) can be time and labor intensive depending on the amount of ascites removed and the method of drainage. Wall suction has been adopted as the preferred method of drainage at many centers, though the safety and benefits of this technique have not been formally evaluated. The primary objective of this study was to define the cost and time savings of wall suction over the traditional glass vacuum bottle method for ascites drainage. The secondary objective was to compare the safety profile and patient satisfaction using these two techniques. Methods: We conducted a randomized, controlled pilot study of the wall suction versus vacuum bottle methods for LVP in hospitalized patients. All LVPs were performed under ultrasound guidance by a single proceduralist. Patients with at least 4 liters removed received 25% intravenous albumin, 8 g/liter fluid removed. Demographic, clinical characteristics, and procedure details were recorded. Laboratory and hemodynamic data were recorded for 24 h prior to and 2448 h post LVP. An electronic chart review was conducted to evaluate procedure-related complications. Data were compared using Fishers exact test, t test, or MannWhitney U test. Results: Thirty-four patients were randomized to wall suction at 200 mmHg (n = 17) or glass vacuum bottle drainage (n = 17). Wall suction was significantly faster and less costly than vacuum bottle drainage (7 versus 15 min, p = 0.002; $4.59 versus $12.73, p < 0.001). There were no differences in outcomes at 24 and 48 h post LVP, or at 60-day follow up. Conclusion: Performing LVP using wall suction resulted in significantly shorter procedure time and supply cost savings. There were no differences in outcomes between the groups, suggesting equivalent safety, though larger studies powered to detect small differences are needed. Given its efficiency, convenience, and cost effectiveness, wall suction may be a superior method of ascites drainage for LVP. PMID:25177365

  16. Development of a Tunable Laser Spectroscopic Method for Determining Multiple Sulfur Isotope Composition of Nanomoles of SO2

    NASA Astrophysics Data System (ADS)

    Guo, W.; Christensen, L. E.

    2013-12-01

    Multiple sulfur isotope (32S, 33S, 34S, 36S) analyses of geological material provide important constraints on the sulfur cycles on Earth [1] and other planetary bodies, e.g., Mars [2]. However, most current multiple sulfur isotope measurements are performed on magnetic sector isotope ratio mass spectrometers (IRMS) and thus require relatively large sample size (usually about several micromoles of sulfur, except the MC-ICPMS and SIMS methods) and time-consuming sample preparation procedures. More importantly, these IRMS methods demand relatively sophisticated instrumentation, and are not ideal for field measurements or flight missions. In contrast, laser spectroscopic methods provide opportunities for significantly reducing the sample size requirement and enabling real-time monitoring in the field, and have been proven to be of great importance in the isotopic measurements of many molecules in nature, e.g. CO2, H2O, N2O, CH4. Based on a prototype built for measuring ?34S of SO2 [3], we're developing a new tunable laser spectrometer (TLS) for simultaneously determining the ?34S and ?33S of nanomoles of pure SO2. We have identified a new spectral window (<1 cm-1 wide) suitable for measuring 32SO2, 33SO2, 34SO2 simultaneously. Ongoing work focuses on increasing the optical path length of the analysis cell and determining the optimal analytical conditions, with the goal of achieving ?0.5 precision in both ?34S and ?33S over 30 seconds of analysis duration of ~20 nmol of pure SO2. Progress of these developments and comparison with conventional IRMS methods will be presented at the meeting. As a case study, we will also present preliminary TLS results from laboratory low pressure SO2 UV photolysis experiments where ?34S and ?33S of the residual SO2 are expected to decrease as the photolysis proceeds [4]. Future developments of this method will involve the coupling of a sample introduction system to enable multiple sulfur isotope analysis of samples other than pure SO2 [3]. [1] Johnston (2011) Earth Sci. Rev. 106, 161-183; [2] Farquhar et al. (2000) Nature. 404, 50-52; [3] Christensen et al. (2007) Anal. Chem. 79, 9261-9268; [4] Guo et al. (2010) Geochim. Cosmochim. Acta. 74, A366.

  17. Comparison of the Interferon-Gamma Release Assay With the Traditional Methods for Detecting Mycobacterium tuberculosis Infection in Children

    PubMed Central

    Zhou, Jianwei; Kong, Cui; Shi, Yanxi; Zhang, Zhaocai; Yuan, Zhaohong

    2014-01-01

    Abstract The purpose of the article is to compare the whole blood interferon-? release assay (IGRA) with the traditional methods for detecting Mycobacterium tuberculosis (MTB) infection in children. Fifteen childhood patients with tuberculosis and 15 healthy children were recruited. Sputa samples and venous blood were collected, and according to different procedures, IGRA, sputum smear, colloidal gold assay (CGA), fluorescence quantitation polymerase chain reaction (FQ-PCR), and tuberculosis skin test (TST) were, respectively, performed. Thirty healthy children vaccinated with Bacillus CalmetteGurin (BCG) were also recruited, and the comparative test was carried out between IGRA and TST. In all of 15 childhood patients with TB, the positive rates were 86.7%, 20.0%, 26.7%, 40%, and 66.7% in IGRA, sputum smear, CGA, FQ-PCR, and TST, respectively. In the children vaccinated with BCG, the positive rate of IGRA was significantly lower than that of TST (6.7% vs 76.7%). From high to low, the specificities of the five methods were sputum smear (100%), IGRA (86.7%), FQ-PCR (86.7%), TST (40%), and CGA (26.7%). Although the specificities of sputum smear and FQ-PCR were more than or equal to that of IGRA, the relative sensitivities limited their applications in populations of children. IGRA is a sensitive and specific method, and could be taken as a first choice for detecting MTB infection in populations of children. PMID:25275527

  18. Insights into Kinetics of Agitation-Induced Aggregation of Hen Lysozyme under Heat and Acidic Conditions from Various Spectroscopic Methods

    PubMed Central

    Chaari, Ali; Fahy, Christine; Chevillot-Biraud, Alexandre; Rholam, Mohamed

    2015-01-01

    Protein misfolding and amyloid formation are an underlying pathological hallmark in a number of prevalent diseases of protein aggregation ranging from Alzheimer’s and Parkinson’s diseases to systemic lysozyme amyloidosis. In this context, we have used complementary spectroscopic methods to undertake a systematic study of the self-assembly of hen egg-white lysozyme under agitation during a prolonged heating in acidic pH. The kinetics of lysozyme aggregation, monitored by Thioflavin T fluorescence, dynamic light scattering and the quenching of tryptophan fluorescence by acrylamide, is described by a sigmoid curve typical of a nucleation-dependent polymerization process. Nevertheless, we observe significant differences between the values deduced for the kinetic parameters (lag time and aggregation rate). The fibrillation process of lysozyme, as assessed by the attenuated total reflection-Fourier transform infrared spectroscopy, is accompanied by an increase in the β-sheet conformation at the expense of the α-helical conformation but the time-dependent variation of the content of these secondary structures does not evolve as a gradual transition. Moreover, the tryptophan fluorescence-monitored kinetics of lysozyme aggregation is described by three phases in which the temporal decrease of the tryptophan fluorescence quantum yield is of quasilinear nature. Finally, the generated lysozyme fibrils exhibit a typical amyloid morphology with various lengths (observed by atomic force microscopy) and contain exclusively the full-length protein (analyzed by highly performance liquid chromatography). Compared to the data obtained by other groups for the formation of lysozyme fibrils in acidic pH without agitation, this work provides new insights into the structural changes (local, secondary, oligomeric/fibrillar structures) undergone by the lysozyme during the agitation-induced formation of fibrils. PMID:26571264

  19. Near-infrared diode laser based spectroscopic detection of ammonia: a comparative study of photoacoustic and direct optical absorption methods

    NASA Technical Reports Server (NTRS)

    Bozoki, Zoltan; Mohacsi, Arpad; Szabo, Gabor; Bor, Zsolt; Erdelyi, Miklos; Chen, Weidong; Tittel, Frank K.

    2002-01-01

    A photoacoustic spectroscopic (PAS) and a direct optical absorption spectroscopic (OAS) gas sensor, both using continuous-wave room-temperature diode lasers operating at 1531.8 nm, were compared on the basis of ammonia detection. Excellent linear correlation between the detector signals of the two systems was found. Although the physical properties and the mode of operation of both sensors were significantly different, their performances were found to be remarkably similar, with a sub-ppm level minimum detectable concentration of ammonia and a fast response time in the range of a few minutes.

  20. Simulation of a method for determining one-dimensional 137 Cs distribution using multiple gamma spectroscopic measurements with an adjustable cylindrical collimator and center shield.

    PubMed

    Whetstone, Z D; Dewey, S C; Kearfott, K J

    2011-05-01

    With multiple in situ gamma spectroscopic measurements obtained with an adjustable cylindrical collimator and a circular shield, the arbitrary one-dimensional distribution of radioactive material can be determined. The detector responses are theoretically calculated, field measurements obtained, and a system of equations relating detector response to measurement geometry and activity distribution solved to estimate the distribution. This paper demonstrates the method by simulating multiple scenarios and providing analysis of the system conditioning. PMID:21310624

  1. Does transport time help explain the high trauma mortality rates in rural areas? New and traditional predictors assessed by new and traditional statistical methods

    PubMed Central

    Røislien, Jo; Lossius, Hans Morten; Kristiansen, Thomas

    2015-01-01

    Background Trauma is a leading global cause of death. Trauma mortality rates are higher in rural areas, constituting a challenge for quality and equality in trauma care. The aim of the study was to explore population density and transport time to hospital care as possible predictors of geographical differences in mortality rates, and to what extent choice of statistical method might affect the analytical results and accompanying clinical conclusions. Methods Using data from the Norwegian Cause of Death registry, deaths from external causes 1998–2007 were analysed. Norway consists of 434 municipalities, and municipality population density and travel time to hospital care were entered as predictors of municipality mortality rates in univariate and multiple regression models of increasing model complexity. We fitted linear regression models with continuous and categorised predictors, as well as piecewise linear and generalised additive models (GAMs). Models were compared using Akaike's information criterion (AIC). Results Population density was an independent predictor of trauma mortality rates, while the contribution of transport time to hospital care was highly dependent on choice of statistical model. A multiple GAM or piecewise linear model was superior, and similar, in terms of AIC. However, while transport time was statistically significant in multiple models with piecewise linear or categorised predictors, it was not in GAM or standard linear regression. Conclusions Population density is an independent predictor of trauma mortality rates. The added explanatory value of transport time to hospital care is marginal and model-dependent, highlighting the importance of exploring several statistical models when studying complex associations in observational data. PMID:25972600

  2. Synthesis of Black and Red Mercury Sulfide Nano-Powder by Traditional Indian Method for Biomedical Application

    NASA Astrophysics Data System (ADS)

    Padhi, Payodhar; Sahoo, G.; Das, K.; Ghosh, Sudipto; Panigrahi, S. C.

    2008-10-01

    The use of metals and minerals in the traditional Indian system of medicine known as aired is very common and is practiced since seventh century B.C. Metals were reduced to calcined powder form for medicinal purpose. For detoxification, a further step of purification of the metals and minerals with different vegetable extracts was practiced. The people of East India were using mercury and its sulfide as medicine. Gradually this secret was leaked to Arabic physicians who used mercury in skin ointment. Subsequently Italian Physicians adopted Arabic prescriptions of mercurial ointments for skin diseases. In the olden days, metals and minerals were impregnated with decoction and juice of vegetables and animal products like milk and fat for purification. These were then reduced to fine particles by milling with a pestle and mortar. It was known by then that the fineness of the powder had a significant influence on the color, texture, and medicinal properties as is cited by Charak. Nagarjun studied in detail the processing of metals and minerals, particularly mercury and the influence of the processing parameters on the medicinal values. Mercury is unique in many aspects. Indian alchemy developed a wide variety a chemical processes for the ostensible transmutation of metals and preparation of elixir of life, in which mercury occupied a prime position .The present investigation attempts to use the traditional methods as prescribed in the ancient texts to prepare mercury sulfide in both red and black form for medicinal use. XRD, SEM and HRTEM investigations of the sulfides obtained shows that the ancient Indians were able to produce nano-sized powders. Possibly this may be taken as the earliest application of the production and use of nano powder. The study proves that even in ancient time the knowledge of nano particle synthesis was prevalent and used to enhance effectiveness of medicines. Further mercury in the free form is not acceptable in medicines. The ancient physicians could get rid of free mercury by milling and proper choice of the ratio of ingredients as is shown in the investigation by X-ray diffraction studies. In the traditional method for synthesis of mercury sulfide, mercury and pure sulfur were taken and milled in a mortar and pastel. During milling process, the white mercury and yellow sulfur yielded to a gray black colored sulfide. Synthesis of red sulfide of mercury required additional steps of heating and subsequent milling. For therapeutically application, the sulfide thus obtained needed detoxification, which was done using organic extracts. In the present investigation, the same method was followed to synthesize the sapphires and the product was characterized using modern methods like XRD, SEM and HRTEM. With increase in milling time the fineness of the powder increases, which increases the efficacy of the medicine, and free mercury, which is not desirable for medicinal application is found to decrease. The powder obtained at the end of 48 hours of milling is found to be of a size finer than l0nm.

  3. Synthesis of Black and Red Mercury Sulfide Nano-Powder by Traditional Indian Method for Biomedical Application

    SciTech Connect

    Padhi, Payodhar; Sahoo, G.; Das, K.; Ghosh, Sudipto; Panigrahi, S. C.

    2008-10-23

    The use of metals and minerals in the traditional Indian system of medicine known as aired is very common and is practiced since seventh century B.C. Metals were reduced to calcined powder form for medicinal purpose. For detoxification, a further step of purification of the metals and minerals with different vegetable extracts was practiced. The people of East India were using mercury and its sulfide as medicine. Gradually this secret was leaked to Arabic physicians who used mercury in skin ointment. Subsequently Italian Physicians adopted Arabic prescriptions of mercurial ointments for skin diseases. In the olden days, metals and minerals were impregnated with decoction and juice of vegetables and animal products like milk and fat for purification. These were then reduced to fine particles by milling with a pestle and mortar. It was known by then that the fineness of the powder had a significant influence on the color, texture, and medicinal properties as is cited by Charak. Nagarjun studied in detail the processing of metals and minerals, particularly mercury and the influence of the processing parameters on the medicinal values. Mercury is unique in many aspects. Indian alchemy developed a wide variety a chemical processes for the ostensible transmutation of metals and preparation of elixir of life, in which mercury occupied a prime position .The present investigation attempts to use the traditional methods as prescribed in the ancient texts to prepare mercury sulfide in both red and black form for medicinal use. XRD, SEM and HRTEM investigations of the sulfides obtained shows that the ancient Indians were able to produce nano-sized powders. Possibly this may be taken as the earliest application of the production and use of nano powder. The study proves that even in ancient time the knowledge of nano particle synthesis was prevalent and used to enhance effectiveness of medicines. Further mercury in the free form is not acceptable in medicines. The ancient physicians could get rid of free mercury by milling and proper choice of the ratio of ingredients as is shown in the investigation by X-ray diffraction studies. In the traditional method for synthesis of mercury sulfide, mercury and pure sulfur were taken and milled in a mortar and pastel. During milling process, the white mercury and yellow sulfur yielded to a gray black colored sulfide. Synthesis of red sulfide of mercury required additional steps of heating and subsequent milling. For therapeutically application, the sulfide thus obtained needed detoxification, which was done using organic extracts. In the present investigation, the same method was followed to synthesize the sapphires and the product was characterized using modern methods like XRD, SEM and HRTEM. With increase in milling time the fineness of the powder increases, which increases the efficacy of the medicine, and free mercury, which is not desirable for medicinal application is found to decrease. The powder obtained at the end of 48 hours of milling is found to be of a size finer than l0nm.

  4. Field test comparison of an autocorrelation technique for determining grain size using a digital 'beachball' camera versus traditional methods

    USGS Publications Warehouse

    Barnard, P.L.; Rubin, D.M.; Harney, J.; Mustain, N.

    2007-01-01

    This extensive field test of an autocorrelation technique for determining grain size from digital images was conducted using a digital bed-sediment camera, or 'beachball' camera. Using 205 sediment samples and >1200 images from a variety of beaches on the west coast of the US, grain size ranging from sand to granules was measured from field samples using both the autocorrelation technique developed by Rubin [Rubin, D.M., 2004. A simple autocorrelation algorithm for determining grain size from digital images of sediment. Journal of Sedimentary Research, 74(1): 160-165.] and traditional methods (i.e. settling tube analysis, sieving, and point counts). To test the accuracy of the digital-image grain size algorithm, we compared results with manual point counts of an extensive image data set in the Santa Barbara littoral cell. Grain sizes calculated using the autocorrelation algorithm were highly correlated with the point counts of the same images (r2 = 0.93; n = 79) and had an error of only 1%. Comparisons of calculated grain sizes and grain sizes measured from grab samples demonstrated that the autocorrelation technique works well on high-energy dissipative beaches with well-sorted sediment such as in the Pacific Northwest (r2 ??? 0.92; n = 115). On less dissipative, more poorly sorted beaches such as Ocean Beach in San Francisco, results were not as good (r2 ??? 0.70; n = 67; within 3% accuracy). Because the algorithm works well compared with point counts of the same image, the poorer correlation with grab samples must be a result of actual spatial and vertical variability of sediment in the field; closer agreement between grain size in the images and grain size of grab samples can be achieved by increasing the sampling volume of the images (taking more images, distributed over a volume comparable to that of a grab sample). In all field tests the autocorrelation method was able to predict the mean and median grain size with ???96% accuracy, which is more than adequate for the majority of sedimentological applications, especially considering that the autocorrelation technique is estimated to be at least 100 times faster than traditional methods.

  5. Researches of the atmosphere carried out at the Kharkov National University of RadioElectronics (Ukraine): traditions, methods and results

    NASA Astrophysics Data System (ADS)

    Kolomiyets, Svitlana; Kolomiyets, Svitlana; Slipchenko, Mykola; Lagutin, Mykhaylo; Kartashchov, Volodymyr; Babkin, Stanislav; Chumakov, Volodymyr; Nesterenko, Georgiy

    Over many years a number of scientific subdivisions at Kharkov National University of RadioElectronics (KhNURE, Ukraine) has been carrying out researches of the atmosphere, these subdivisions have the settled scientific traditions and known scientific schools. The sources of some directions in the atmospheric researches are related to the International Geophysical Year 1957/8 and the subsequent prestigious international geophysical projects, and also with the names of great scientists. Since 1958 the experimental base has been operating near Kharkov, created under the direction of Kashcheyev B.L. (1920-2004), the Ukrainian scientist, Honorable of KhNURE, world-famous among the geophysicists and researchers of meteors. In 2004 the modernized experimental base named "Multipurpose Geophysical Measuring Complex" of KhNURE received the status of the National Property of Ukraine. There are possibilities for experiments under laboratory conditions at the University; the remote methods and means for studying the processes taking place in the atmosphere of the Earth are being developed. Among these methods there are: radio acoustic sounding, laser resonant sounding, meteor radar-location, radar-tracking vertical sounding and some others. In the field of interest there are researches of the atmosphere non-uniform structure and dynamics, the atmospheric processes anisotropies. The researches cover various heights: the boundary layer of the atmosphere, tropostratosphere, the area of mesopause and bottom thermosphere. The basic and original results of researches are given.

  6. Supervised methods for symptom name recognition in free-text clinical records of traditional Chinese medicine: an empirical study.

    PubMed

    Wang, Yaqiang; Yu, Zhonghua; Chen, Li; Chen, Yunhui; Liu, Yiguang; Hu, Xiaoguang; Jiang, Yongguang

    2014-02-01

    Clinical records of traditional Chinese medicine (TCM) are documented by TCM doctors during their routine diagnostic work. These records contain abundant knowledge and reflect the clinical experience of TCM doctors. In recent years, with the modernization of TCM clinical practice, these clinical records have begun to be digitized. Data mining (DM) and machine learning (ML) methods provide an opportunity for researchers to discover TCM regularities buried in the large volume of clinical records. There has been some work on this problem. Existing methods have been validated on a limited amount of manually well-structured data. However, the contents of most fields in the clinical records are unstructured. As a result, the previous methods verified on the well-structured data will not work effectively on the free-text clinical records (FCRs), and the FCRs are, consequently, required to be structured in advance. Manually structuring the large volume of TCM FCRs is time-consuming and labor-intensive, but the development of automatic methods for the structuring task is at an early stage. Therefore, in this paper, symptom name recognition (SNR) in the chief complaints, which is one of the important tasks to structure the FCRs of TCM, is carefully studied. The SNR task is reasonably treated as a sequence labeling problem, and several fundamental and practical problems in the SNR task are studied, such as how to adapt a general sequence labeling strategy for the SNR task according to the domain-specific characteristics of the chief complaints and which sequence classifier is more appropriate to solve the SNR task. To answer these questions, a series of elaborate experiments were performed, and the results are explained in detail. PMID:24070769

  7. Comparative study between original and traditional method in establishing a chronic sinus node damage model in rabbit.

    PubMed

    Liu, Ru-xiu; Wang, Yan-li; Li, Hui-bo; Wang, Ni-na; Bao, Mei-jing; Xu, Li-ya

    2012-12-01

    Sick Sinus Syndrome is a common and refractory arrhythmia, needing further study in which setting up a credible sinus node damage model is important. To explore the feasibility and superiority of an original formaldehyde pinpoint pressing permeation (FPPP) method for building a chronic sinus node damage (CSND) model, 5 rabbits were chosen from 35 as a sham-operation group, and the remaining were randomly divided into two groups: the formaldehyde wet compressing (FWC) group, in which models were established by applying a cotton bud dipped in 20% formaldehyde onto the sinus node (SN) area, and the FPPP group, in which models were established by injecting formaldehyde into the SN area through a self-made pinpointing and injecting electrode. We found that in both groups, the HR at 2 h, 24 h, 1 wk, and 2 wk after modeling decreased compared with premodeling; sinoatrial conduction time, sinus node recovery time, and corrected sinus node recovery time were prolonged compared with premodeling. The indexes mentioned shortened by 2 wk after modeling compared with 2 h in the FWC group, whereas they were stable after modeling in the FPPP group. The modeling achievement ratio in the FPPP group was higher and the death rate was lower. Under light microscope, paraffin sections of the SN tissue and cells showed severe injury in both groups. The results indicate that the CSND models in rabbits can be successfully established by the FPPP method, with higher achievement ratio, lower death rate, better stabilization effect, and less damaging comparing with the traditional method. PMID:22898552

  8. Effects of the traditional method and an alternative parboiling process on the fatty acids, vitamin E, ?-oryzanol and phenolic acids of glutinous rice.

    PubMed

    Thammapat, Pornpisanu; Meeso, Naret; Siriamornpun, Sirithon

    2016-03-01

    The impacts of traditional and alternative parboiling processes on the concentrations of fatty acids, tocopherol, tocotrienol, ?-oryzanol and phenolic acids in glutinous rice were investigated. Differences between the two methods were the soaking temperatures and the steaming methods. Results showed that parboiling processes significantly increased the concentrations of saturated fatty acids (SFA), mono-unsaturated fatty acids (MUFA), ?-oryzanol, ?-tocotrienol and total phenolic acids (TPA) in glutinous rice, while ?-tocopherol, ?-tocopherol and polyunsaturated fatty acids (PUFA) decreased (p<0.05). Both the traditional and alternative parboiling methods increased the levels of ?-oryzanol by three or fourfold compared with the level of ?-oryzanol in raw rice. Parboiling caused both adverse and favorable effects on phenolic acids content (p<0.05). We found that glutinous rice, parboiled using our newly developed method, had higher levels of PUFA, total vitamin E, ?-oryzanol, hydrobenzoic acid, hydroxycinnamic acid and TPA compared to the traditional method. PMID:26471549

  9. DIAGNOSTIC CARDIAC CATHETERIZATION USING THE MEDRAD AVANTA FLUID MANAGEMENT SYSTEM AS COMPARED TO THE TRADITIONAL MANUAL INJECTION METHOD

    SciTech Connect

    Winniford, Michael D

    2013-02-08

    Nearly 4 million patient procedures performed annually in US cardiac catheterization laboratories utilize contrast media to achieve vessel opacification. The amount of contrast media used is variable and depends on the complexity of the procedure, the method of contrast delivery as well as the skill-level of the operator. Since the total amount of contrast used for each procedure can have both patient safety and economic implications, it is essential for cardiologists to have the ability to control contrast delivery such that optimal angiographic image quality is achieved using the least amount of contrast. Although the complication rate associated with cardiac catheterization remains low, the most common serious complication, contrast-induced nephropathy (CIN), is associated with poor prognosis and a high mortality rate. Numerous interventional strategies for preventing and reducing the severity of CIN have demonstrated varying degrees of clinical benefit, but none has been shown to reliably prevent this serious complication. To date, the most effective approach for reducing the risk of CIN is to properly hydrate the patient and to minimize the amount of contrast media administered. Automated injection systems are intended for use in virtually all cardiac catheterization procedures and have numerous features which can provide potential advantages over traditional methods. With automated injection technology the operator is able to control and precisely monitor contrast delivery. Additionally, the MEDRAD Avanta Fluid Management Injection System utilizes a sterile contrast reservoir which eliminates the need to discard unused contrast in individual opened containers following each procedure. Considering that an average of 50% of opened contrast media is wasted using manual injection methods, this savings can provide a substantial economic benefit. Automated systems also facilitate the use of smaller (5 French) catheter sizes. Precise flow control and the use of smaller diameter catheters have both been shown to reduce the volume of contrast administered. The use of smaller size catheters also permits more rapid hemostasis, thus allowing shorter ambulation time without the need for costly wound closure devices. These factors can result in enhanced patient satisfaction as well as more efficient management of post-procedure rooms. The intent of this study was to demonstrate that using the MEDRAD Avanta Fluid Management Injection System (MEDRAD, INC., Pittsburgh, PA) for coronary diagnostic procedures can produce a reduction in the volume of contrast administered without loss of operational quality or efficiency. In addition, this study will explore procedure time and efficiency in an effort to minimize the amount of ionizing radiation delivered to the patient as well as the diagnostic team members. Study Design This is a post-market study designed to collect data during diagnostic cardiac catheterization when utilizing 5FR or 6FR catheters in conjunction with the Avanta Fluid Management System or a manual manifold injection method control group. A minimum of 420 patients scheduled for diagnostic cardiac catheterization will be enrolled in the study cohort. Patients will be assigned into the following two groups. Group 1: Catheterization with 5FR or 6FR catheters, using the traditional manual manifold injection method for contrast media delivery which is defined as manual hand injection of contrast media through a 3 or 4 port manifold and left ventriculography performed via standard fixed rate power injection. Group 2: Catheterization with 5FR or 6FR catheters, using the MEDRAD Avanta system for contrast media delivery. Study endpoints include volume of contrast media administered during diagnostic cardiac catheterization, volume of contrast media wasted post-procedure, procedure time (defined as the time from first catheter insertion to last diagnostic catheter removal), fluoroscopy time and angiographic image quality. The study demonstrated that use of the Advanta system reduced overall contrast utilization by decreasing the amount of contrast administered to the patient and reducing the amount of contrast wasted during preparation and post-procedure clean-up. The quality of the angiographic images and the radiation expsure to the patient ere not affected.

  10. Determining antioxidant activities of lactobacilli cell-free supernatants by cellular antioxidant assay: a comparison with traditional methods.

    PubMed

    Xing, Jiali; Wang, Gang; Zhang, Qiuxiang; Liu, Xiaoming; Gu, Zhennan; Zhang, Hao; Chen, Yong Q; Chen, Wei

    2015-01-01

    Antioxidant activity of lactic acid bacteria is associated with multiple health-protective effects. Traditional indexes of chemical antioxidant activities poorly reflect the antioxidant effects of these bacteria in vivo. Cellular antioxidant activity (CAA) assay was used in this study to determine the antioxidant activity of cell-free supernatants (CFSs) of 10 Lactobacillus strains. The performance of the CAA assay was compared with that of four chemical antioxidant activity assays, namely, DPPH radical scavenging, hydroxyl radical scavenging (HRS), reducing power (RP), and inhibition of linoleic acid peroxidation (ILAP). Results of the CAA assay were associated with those of DPPH and ILAP assays, but not with those of RP and HRS assays. The inter- and intra-specific antioxidant activities of CFS were characterized by chemical and CAA assays. L. rhamnosus CCFM 1107 displayed a high antioxidative effect similar to positive control L. rhamnosus GG ATCC 53103 in all of the assays. The CAA assay is a potential method for the detection of antioxidant activities of lactobacilli CFSs. PMID:25789875

  11. Determining Antioxidant Activities of Lactobacilli Cell-Free Supernatants by Cellular Antioxidant Assay: A Comparison with Traditional Methods

    PubMed Central

    Xing, Jiali; Wang, Gang; Zhang, Qiuxiang; Liu, Xiaoming; Gu, Zhennan; Zhang, Hao; Chen, Yong Q.; Chen, Wei

    2015-01-01

    Antioxidant activity of lactic acid bacteria is associated with multiple health-protective effects. Traditional indexes of chemical antioxidant activities poorly reflect the antioxidant effects of these bacteria in vivo. Cellular antioxidant activity (CAA) assay was used in this study to determine the antioxidant activity of cell-free supernatants (CFSs) of 10 Lactobacillus strains. The performance of the CAA assay was compared with that of four chemical antioxidant activity assays, namely, DPPH radical scavenging, hydroxyl radical scavenging (HRS), reducing power (RP), and inhibition of linoleic acid peroxidation (ILAP). Results of the CAA assay were associated with those of DPPH and ILAP assays, but not with those of RP and HRS assays. The inter- and intra-specific antioxidant activities of CFS were characterized by chemical and CAA assays. L. rhamnosus CCFM 1107 displayed a high antioxidative effect similar to positive control L. rhamnosus GG ATCC 53103 in all of the assays. The CAA assay is a potential method for the detection of antioxidant activities of lactobacilli CFSs. PMID:25789875

  12. Infrared spectroscopic method for analysis of Mg 2Ca(SO 4) 3 in mixtures with MgSO 4 and/or CaSO 4

    NASA Astrophysics Data System (ADS)

    Smith, Duane H.; Seshadri, Kal S.

    1999-04-01

    Mg 2Ca(SO 4) 3 is prepared from, and may be found in, mixtures with MgSO 4 and CaSO 4. Such mixtures frequently occur in the ash produced by various types of coal combustion, especially in filter cakes from pressurized fluidized bed combustion with dolomite as a SO x sorbent. Previously, qualitative analyses could be performed for Mg 2Ca(SO 4) 3 in these mixtures, but no quantitative analytical method was available. An infrared spectroscopic method has been developed that provides reasonably quantitative results for Mg 2Ca(SO 4) 3, MgSO 4,and CaSO 4 in their mixtures.

  13. Diffuse-Reflectance Mid-IR and NIR Spectroscopic Properties of Mycorrhizal and Non-mycorrhizal roots

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Quantification of mycorrhizae by traditional methods is slow and prone to observer bias. A quick spectroscopic method would allow for the identification of mycorrhizal roots of large sample sets. In this experiment, we measured the diffuse-reflectance Fourier-Transformed Mid-IR and NIR spectral prop...

  14. Chemical differentiation of Da-Cheng-Qi-Tang, a Chinese medicine formula, prepared by traditional and modern decoction methods using UPLC/Q-TOFMS-based metabolomics approach.

    PubMed

    Wan, Jian-Bo; Bai, Xu; Cai, Xiu-Jiang; Rao, Yi; Wang, Yue-Sheng; Wang, Yi-Tao

    2013-09-01

    In order to evaluate chemical consistency between traditional and modern decoctions of Da-Cheng-Qi-Tang (DCQT), a classical Chinese medicine formula commonly used in the treatment of digestive diseases, an ultra performance liquid chromatography-electrospray ionization-quadrupole time-of-flight mass spectrometry (UPLC-ESI-Q-TOFMS) combined with multivariate statistical analysis was established to globally characterize the chemical profile and discover differentiating chemical markers. Two kinds of decoctions, namely traditional decoction (multi-step decoction of constituent herbs), and modern decoction (one-step decoction of all herbs), were prepared and subjected to UPLC-MS analysis, the datasets of tR-m/z pairs, ion intensities and sample codes were processed with supervised orthogonal partial least squared discriminant analysis (OPLS-DA) to comprehensively compare the chemical difference between these two kinds of decoction samples. The global chemical difference was found between traditional and modern decoctions, and rhein, sennoside A/B, diosmetin, magnoloside B and naringin were the components contributing most to these differences. Based on the fact that traditional decoction of DCQT presents the higher concentration of rhein and sennoside A/B, mainly contributed to laxative activity of DCQT, the purgative effect of traditional decoction might be more potent, compared with modern decoction. However, the comparative study on purgative effect of traditional and modern DCQT remains to be further investigated using pharmacological approaches. Our findings also provide the early scientific evidence of traditional decoction method of DCQT. PMID:23685412

  15. [Current development of rapid high-throughout determination technology for total components of traditional Chinese medicines and formula and synthetic immunity chip method].

    PubMed

    He, Fu-Yuan; Deng, Kai-Wen; Zeng, Jiao-Li; Dai, Ru-Wen; Dai, Ru-Wen; Xia, Zan-Shao; Liu, Weng-Long; Shi, Ji-Lian

    2012-10-01

    The qualitative and quantitative analysis on traditional Chinese medicine and formula components can be made by chemical and instrumental analysis methods. Of both, the instrumental analysis methods play a dominant role, including HPLC, HPLC-MS, HPLC-NMR, GC, GC-MS, biochemical and biological effect. But because traditional Chinese medicines and formula have complicated components, chemical methods are so unspecific that they shall be used less or with caution. While instrumental analysis methods are so specific that they are appropriate for analyzing complicated single component. The analysis techniques for multiple components of traditional Chinese medicines and formula focus on fingerprints, but all of these analysis techniques are limited by the pre-requisite of separation and the lack of general-purpose detectors and therefore being hard to realize the determination of all components of traditional Chinese medicines and formula. In the natural world, however, organisms identify native and alien components through specificity and non-specificity of clusters decided by antigens and antibodies. For example, components of traditional Chinese medicines are directly or indirectly synthesized into antigens and injected into animals, in order to generate specific antibodies and then collect cross reaction information of these components to specific antibodies. As for components without cross reaction, their contents shall be directly read out on the basis of the inhibition rate curve of competitive reaction for specificity of antigens and antibodies. Besides, a cross inhibition rate matrix shall be established first, and them a multiple regression linear equation between cross component concentration or concentration logarithm and inhibition rate by labeling the immunity competitive reaction between antibodies and haptens of traditional Chinese medicine and compound components, and then solved to obtain concentration of each component. The two results are combined to establish the synthetic immunity chip method for traditional Chinese medicine and formula components. PMID:23311175

  16. Raman spectroscopic analysis of human tissue engineered oral mucosa constructs (EVPOME) perturbed by physical and biochemical methods

    NASA Astrophysics Data System (ADS)

    Khmaladze, Alexander; Ganguly, Arindam; Raghavan, Mekhala; Kuo, Shiuhyang; Cole, Jacqueline H.; Marcelo, Cynthia L.; Feinberg, Stephen E.; Izumi, Kenji; Morris, Michael D.

    2012-01-01

    We show the application of near-infrared Raman Spectroscopy to in-vitro monitoring of the viability of tissue constructs (EVPOMEs). During their two week production period EVPOME may encounter thermal, chemical or biochemical stresses that could cause development to cease, rendering the affected constructs useless. We discuss the development of a Raman spectroscopic technique to study EVPOMEs noninvasively, with the ultimate goal of applying it in-vivo. We identify Raman spectroscopic failure indicators for EVPOMEs, which are stressed by temperature, and discuss the implications of varying calcium concentration and pre-treatment of the human keratinocytes with Rapamycin. In particular, Raman spectra show correlation of the peak height ratios of CH2 deformation to phenylalanine ring breathing, providing a Raman metric to distinguish between viable and nonviable constructs. We also show the results of singular value decomposition analysis, demonstrating the applicability of Raman spectroscopic technique to both distinguish between stressed and non-stressed EVPOME constructs, as well as between EVPOMEs and bare AlloDerm substrates, on which the oral keratinocytes have been cultured. We also discuss complications arising from non-uniform thickness of the AlloDerm substrate and the cultured constructs, as well as sampling protocols used to detect local stress and other problems that may be encountered in the constructs.

  17. When One-Size Methods Class Doesn't Fit All: A Self-Study of Teaching Traditional and Alternative Licensure Students Together

    ERIC Educational Resources Information Center

    Journell, Wayne; Webb, Angela W.

    2013-01-01

    This article uses a narrative approach to start a dialogue about the challenges of teaching blended methods classes that contain traditional and alternative licensure students. Many alternative licensure students enter their methods classes as lateral-entry teachers who must balance their licensure requirements with the demands associated with

  18. A Safety Program that Integrated Behavior-Based Safety and Traditional Safety Methods and Its Effects on Injury Rates of Manufacturing Workers

    ERIC Educational Resources Information Center

    Hermann, Jaime A.; Ibarra, Guillermo V.; Hopkins, B. L.

    2010-01-01

    The present research examines the effects of a complex safety program that combined Behavior-Based Safety (BBS) and traditional safety methods. The study was conducted in an automobile parts plant in Mexico. Two sister plants served as comparison. Some of the components of the safety programs addressed behaviors of managers and included methods

  19. Silica surface characterization as a function of formation and surface treatment using traditional methods and proteins as surface probes

    NASA Astrophysics Data System (ADS)

    Korwin-Edson, Michelle Lynn

    Previous works have shown that cells proliferate differently depending on the chemistry of the glass on which they are growing. Since proteins form the bonds between cells and glass, the hypothesis of this study is that proteins can distinguish between surface chemical variations of glass. This theory was examined through the use of various silica forms, a few select proteins, four surface treatment procedures, and a variety of characterization techniques. The silica forms include amorphous slides, cane, fiber, microspheres, fumed silica and quartz crystal terminals. The proteins selected were human serum albumin, mouse Immunoglobulin G, streptavidin, antimouse IgG, and biotin. The surface treatments utilized to bring about chemical variation on the silica surface were HF acid etching, ethanol cleaning, water plasma treatments, and 1000C heat treatments. The characterization techniques encompassed both traditional material techniques and biological methods. The techniques studied were atomic force microscopy (AFM), chemical force microscopy (CFM), glancing incidence X-ray analysis (GIXA), fluorescence spectrometry, polyacrylamide gel electrophoresis (SDS-PAGE), and bicinchoninic acid (BCA) assay. It was the main goal of this project to determine the feasibility of these techniques in utilizing proteins as glass surface probes. Proteins were adsorbed to all of the various forms and the binding ability was studied by either stripping off the protein and quantifying them, or by deductive reasoning through the use of "depleted" protein solutions. Fluorimetry and BCA assay both utilized the depleted solutions, but the high error associated with this protocol was prohibitive. SDS-PAGE with streptavidin was very difficult due to staining problems, however the IgG proteins were able to be quantified with some success. GIXA showed that the protein layer thickness is monolayer in nature, which agrees well with the AFM fluid tapping data on protein height, but in addition showed features on the order of ten protein agglomerations. CFM is by far the most promising technique for utilizing proteins as surface probes. Functionalized tips of -COOH, streptavidin and -CH3 are able to discern between surface treatments, but not forms. A general conclusion is that adhesion forces are greatest for -COOH, then streptavidin, and least for -CH3.

  20. Digital Assist: A Comparison of Two Note-Taking Methods (Traditional vs. Digital Pen) for Students with Emotional Behavioral Disorders

    ERIC Educational Resources Information Center

    Rody, Carlotta A.

    2013-01-01

    High school biology classes traditionally follow a lecture format to disseminate content and new terminology. With the inclusive practices of No Child Left Behind, the Common Core State Standards, and end-of-course exam requirement for high school diplomas, classes include a large range of achievement levels and abilities. Teachers assume, often…

  1. A mixed methods inquiry into the determinants of traditional food consumption among three Cree communities of Eeyou Istchee from an ecological perspective

    PubMed Central

    Gaudin, Véronique Laberge; Receveur, Olivier; Walz, Leah; Girard, Félix; Potvin, Louise

    2014-01-01

    Background The Aboriginal nations of Canada have higher incidences of chronic diseases, coinciding with profound changes in their environment, lifestyle and diet. Traditional foods can protect against the risks of chronic disease. However, their consumption is in decline, and little is known about the complex mechanisms underlying this trend. Objective To identify the factors involved in traditional food consumption by Cree Aboriginal people living in 3 communities in northern Quebec, Canada. Design A mixed methods explanatory design, including focus group interviews to interpret the results of logistic regression. Methods This study includes a secondary data analysis of a cross-sectional survey of 3 Cree communities (n=374) and 4 focus group interviews (n=23). In the first, quantitative phase of the study, data were collected using a food-frequency questionnaire along with a structured questionnaire. Subsequently, the focus group interviews helped explain and build on the results of logistic regressions. Results People who consume traditional food 3 days or more weekly were more likely to be 40 years old and over, to walk 30 minutes or more per day, not to have completed their schooling, to live in Mistissini and to be a hunter (p<0.05 for all comparisons). The focus group participants provided explanations for the quantitative analysis results or completed them. For example, although no statistical association was found, focus group participants believed that employment acts as both a facilitator and a barrier to traditional food consumption, rendering the effect undetectable. In addition, focus group participants suggested that traditional food consumption is the result of multiple interconnected influences, including individual, family, community and environmental influences, rather than a single factor. Conclusion This study sheds light on a number of factors that are unique to traditional foods, factors that have been understudied to date. Efforts to promote and maintain traditional food consumption could improve the overall health and wellbeing of Cree communities. PMID:25466760

  2. Spectroscopic detection

    DOEpatents

    Woskov, Paul P. (Bedford, MA); Hadidi, Kamal (Cambridge, MA)

    2003-01-01

    In embodiments, spectroscopic monitor monitors modulated light signals to detect low levels of contaminants and other compounds in the presence of background interference. The monitor uses a spectrometer that includes a transmissive modulator capable of causing different frequency ranges to move onto and off of the detector. The different ranges can include those with the desired signal and those selected to subtract background contributions from those with the desired signal. Embodiments of the system are particularly useful for monitoring metal concentrations in combustion effluent.

  3. Students' Evaluation of a Learning Method: A Comparison between Problem-Based Learning and More Traditional Methods in a Specialist University Training Programme in Psychotherapy.

    ERIC Educational Resources Information Center

    Sunblad, Gerd; Sigrell, Bo; John, Larke Knutsson; Lindkvist, Cecilia

    2002-01-01

    Compares two groups of psychotherapy students with regard to their educational training in a three-year program. One of the groups attended a traditional psychotherapy program based on conventional lectures while the other attended a problem-based learning (PBL) program. The traditionally trained group reported a significantly higher level of

  4. Organic matter characterization by infrared spectroscopic methods in lake sediment records from boreal and subarctic Sweden: Implications for long-term carbon cycling

    NASA Astrophysics Data System (ADS)

    Meyer-Jacob, Carsten; Rosn, Peter; Bindler, Richard

    2013-04-01

    Freshwater systems play an important role in the global carbon cycle. In this dynamic system, inorganic and organic carbon can be incorporated into biota, effluxed to the atmosphere or accumulated in sediments. The amount and composition of the carbon, derived from both aquatic and terrestrial sources, accumulated in sediments depend on the climatic and environmental conditions present in the lake and its catchment, and are thus sensitive to changes in, e.g., temperature, precipitation, vegetation and hydrological flow patterns. In this study, we show the application of infrared spectroscopic methods to qualitatively and quantitatively characterize organic matter stored in lake sediments with a focus on changes in the source of terrestrial-derived organic matter. Infrared spectroscopic methods facilitate a fast, cost-efficient and non-destructive analysis of minerogenic as well as organic sediment components. We applied three different infrared spectroscopic analyses - visible-near infrared spectroscopy (VNIRS; 25000-4000 cm-1), Fourier-transform infrared spectroscopy in the mid-IR region (FTIR; 3750-400 cm-1) and a combined Fourier-transformed infrared - thermal programmed desorption technique (FTIR-TPD; 3750-400 cm-1) - to Holocene sediment records from two Swedish lakes, Lng-lgsjn and Lake Koukkel, to reconstruct past changes in the organic matter composition. The infrared spectral information of these records indicate sections of different organic matter composition reflecting varying stages of the lake and landscape development. An early-Holocene mire development around the boreal lake Lng-lgsjn led to an increased input of organic matter from the catchment into the lake initiating an early natural lake acidification, whereas the subarctic Lake Koukkel has been affected by mire and potentially late-Holocene permafrost dynamics, which caused an increased and less variable input of allochthonous organic matter. Overall, variations in organic matter composition seem mainly driven by changes in the landscape rather than any direct effects of successive climate changes. Our findings emphasize that infrared spectroscopic methods are a promising tool for the fast and cost-effective characterization of organic matter in sediment samples, particularly with regard to the detection of qualitative differences between samples. An improved understanding of past variations in the organic matter composition and the related processes driving these changes is essential to further understand the interactions in the carbon cycle between the terrestrial and aquatic systems.

  5. A Safety Program that Integrated Behavior-Based Safety and Traditional Safety Methods and Its Effects on Injury Rates of Manufacturing Workers

    ERIC Educational Resources Information Center

    Hermann, Jaime A.; Ibarra, Guillermo V.; Hopkins, B. L.

    2010-01-01

    The present research examines the effects of a complex safety program that combined Behavior-Based Safety (BBS) and traditional safety methods. The study was conducted in an automobile parts plant in Mexico. Two sister plants served as comparison. Some of the components of the safety programs addressed behaviors of managers and included methods…

  6. A Comparison of the Effectiveness between Computer Aided Drafting and the Traditional Drafting Techniques as Methods of Teaching Pictorial and Multiview Drawings.

    ERIC Educational Resources Information Center

    Kashef, Ali E.

    A study was conducted to determine the effectiveness of teaching multiview and pictorial drawing using traditional methods and using computer-aided drafting (CAD). Research used a quasi-experimental design; subjects were 37 full- and part-time undergraduate students in industrial technology or technology education courses. The students were

  7. A Method for Assessing Institution-Wide Responsiveness to Adult Undergraduates in Traditional Colleges and Universities. ASHE 1988 Annual Meeting Paper.

    ERIC Educational Resources Information Center

    Greenland, Annette E.

    An effective method for assessing responsiveness to adult undergraduates in institutions serving primarily traditional-age students is described. Information from previous literature was applied to the University of Massachusetts at Amherst in order to gather quantitative data on usage of certain practices plus a sense of campus receptivity to,

  8. A Focus on Problems of National Interest in the College General Chemistry Laboratory: The Effects of the Problem-Oriented Method Compared with Those of the Traditional Approach.

    ERIC Educational Resources Information Center

    Neman, Robert Lynn

    This study was designed to assess the effects of the problem-oriented method compared to those of the traditional approach in general chemistry at the college level. The problem-oriented course included topics such as air and water pollution, drug addiction and analysis, tetraethyl-lead additives, insecticides in the environment, and recycling of

  9. Comparison of the Effects of Cooperative Learning and Traditional Learning Methods on the Improvement of Drug-Dose Calculation Skills of Nursing Students Undergoing Internships

    ERIC Educational Resources Information Center

    Basak, Tulay; Yildiz, Dilek

    2014-01-01

    Objective: The aim of this study was to compare the effectiveness of cooperative learning and traditional learning methods on the development of drug-calculation skills. Design: Final-year nursing students ("n" = 85) undergoing internships during the 2010-2011 academic year at a nursing school constituted the study group of this

  10. A Focus on Problems of National Interest in the College General Chemistry Laboratory: The Effects of the Problem-Oriented Method Compared with Those of the Traditional Approach.

    ERIC Educational Resources Information Center

    Neman, Robert Lynn

    This study was designed to assess the effects of the problem-oriented method compared to those of the traditional approach in general chemistry at the college level. The problem-oriented course included topics such as air and water pollution, drug addiction and analysis, tetraethyl-lead additives, insecticides in the environment, and recycling of…

  11. Sorption of selenium oxyanions on TiO2 (rutile) studied by batch or column experiments and spectroscopic methods.

    PubMed

    Svecova, Lenka; Dossot, Manuel; Cremel, Sbastien; Simonnot, Marie-Odile; Sardin, Michel; Humbert, Bernard; Den Auwer, Christophe; Michot, Laurent J

    2011-05-30

    Selenium is a known toxic element released in the environment by anthropogenic activities. The present study is devoted to the aqueous sorption behaviour of selenium oxyanions (selenate and selenite) on a reference oxide surface, namely rutile TiO(2). Batch sorption kinetics and isotherms have been studied using different physico-chemical conditions of the solution (changes of pH and ionic strength). The sorption was favoured for both anions in acidic conditions, in agreement with a surface complexation mechanism and CD-MUSIC predictions. Spectroscopic investigations of the sorbed rutile powder were also consistent with such a mechanism. EXAFS spectra confirmed that for selenite anions, an inner-sphere mechanism was the most probable process observed. Dynamic sorption experiments using a column filled with rutile powder also substantiated that a part of the surface complexes follows the inner-sphere mechanism, but also evidenced that an outer-sphere mechanism cannot be excluded, especially for selenate anions. PMID:21458156

  12. A Single Chiroptical Spectroscopic Method May Not Be Able To Establish the Absolute Configurations of Diastereomers: Dimethylesters of Hibiscus and Garcinia Acids

    PubMed Central

    Polavarapu, Prasad L.; Donahue, Emily A.; Shanmugam, Ganesh; Scalmani, Giovanni; Hawkins, Edward K.; Rizzo, Carmelo; Ibnusaud, Ibrahim; Thomas, Grace; Habel, Deenamma; Sebastian, Dellamol

    2013-01-01

    Electronic circular dichroism (ECD), optical rotatory dispersion (ORD), and vibrational circular dichroism (VCD) spectra of hibiscus acid dimethyl ester have been measured and analyzed in combination with quantum chemical calculations of corresponding spectra. These results, along with those reported previously for garcinia acid dimethyl ester, reveal that none of these three (ECD, ORD, or VCD) spectroscopic methods, in isolation, can unequivocally establish the absolute configurations of diastereomers. This deficiency is eliminated when a combined spectral analysis of either ECD and VCD or ORD and VCD methods is used. It is also found that the ambiguities in the assignment of absolute configurations of diastereomers may also be overcome when unpolarized vibrational absorption is included in the spectral analysis. PMID:21568330

  13. An improved MLVF method and its comparison with traditional MLVF, spa typing, MLST/SCCmec and PFGE for the typing of methicillin-resistant Staphylococcus aureus.

    PubMed

    Du, Xue-Fei; Xiao, Meng; Liang, Hong-Yan; Sun, Zhe; Jiang, Yue-Hong; Chen, Guo-Yu; Meng, Xiao-Yu; Zou, Gui-Ling; Zhang, Li; Liu, Ya-Li; Zhang, Hui; Sun, Hong-Li; Jiang, Xiao-Feng; Xu, Ying-Chun

    2014-01-01

    Methicillin-resistant Staphylococcus aureus (MRSA) has become an important nosocomial pathogen, causing considerable morbidity and mortality. During the last 20 years, a variety of genotyping methods have been introduced for screening the prevalence of MRSA. In this study, we developed and evaluated an improved approach capillary gel electrophoresis based multilocus variable-number tandem-repeat fingerprinting (CGE/MLVF) for rapid MRSA typing. A total of 42 well-characterized strains and 116 non-repetitive clinical MRSA isolates collected from six hospitals in northeast China between 2009 and 2010 were tested. The results obtained by CGE/MLVF against clinical isolates were compared with traditional MLVF, spa typing, Multilocus sequence typing/ staphylococcal cassette chromosome mec (MLST/SCCmec) and pulse field gel electrophoresis (PFGE). The discriminatory power estimated by Simpson's index of diversity was 0.855 (28 types), 0.855 (28 patterns), 0.623 (11 types), 0.517 (8 types) and 0.854 (28 patterns) for CGE/MLVF, traditional MLVF, spa typing, MLST/SCCmec and PFGE, respectively. All methods tested showed a satisfied concordance in clonal complex level calculated by adjusted Rand's coefficient. CGE/MLVF showed better reproducibility and accuracy than traditional MLVF and PFGE methods. In addition, the CGE/MLVF has potential to produce portable results. In conclusion, CGE/MLVF is a rapid and easy to use MRSA typing method with lower cost, good reproducibility and high discriminatory power for monitoring the outbreak and clonal spread of MRSA isolates. PMID:24406728

  14. Mid-Infrared Spectroscopic Method for the Identification and Quantification of Dissolved Oil Components in Marine Environments.

    PubMed

    Stach, Robert; Pejcic, Bobby; Crooke, Emma; Myers, Matthew; Mizaikoff, Boris

    2015-12-15

    The use of mid-infrared sensors based on conventional spectroscopic equipment for oil spill monitoring and fingerprinting in aqueous systems has to date been mainly confined to laboratory environments. This paper presents a portable-based mid-infrared attenuated total reflectance (MIR-ATR) sensor system that was used to quantify a number of environmentally relevant hydrocarbon contaminants in marine water. The sensor comprises a polymer-coated diamond waveguide in combination with a room-temperature operated pyroelectric detector, and the analytical performance was optimized by evaluating the influence of polymer composition, polymer film thickness, and solution flow rate on the sensor response. Uncertainties regarding the analytical performance and instrument specifications for dissolved oil detection were investigated using real-world seawater matrices. The reliability of the sensor was tested by exposition to known volumes of different oils; crude oil and diesel samples were equilibrated with seawater and then analyzed using the developed MIR-ATR sensor system. For validation, gas chromatographic measurements were performed revealing that the MIR-ATR sensor is a promising on-site monitoring tool for determining the concentration of a range of dissolved oil components in seawater at ppb to ppm levels. PMID:26599809

  15. X-ray spectroscopic methods in the studies of nonstoichiometric TiO2-x thin films

    NASA Astrophysics Data System (ADS)

    Kollbek, K.; Sikora, M.; Kapusta, Cz.; Szlachetko, J.; Zakrzewska, K.; Kowalski, K.; Radecka, M.

    2013-09-01

    X-ray spectroscopic techniques have been used in the studies of electronic and structural properties of nonstoichiometric TiO2-x thin films obtained by reactive sputtering from Ti target. Films characterisation has been completed by means of X-ray diffraction in grazing incidence, GID, UV Raman and impedance spectroscopy, optical spectrophotometry, 1s3p Resonant X-ray Emission Spectroscopy, RXES, and X-ray Photoelectron Spectroscopy, XPS. Stoichiometric thin films of TiO2 are composed of a well-crystallised anatase-rutile mixture with the predominance of anatase while the films with higher oxygen deficit are amorphous to larger extent. Oxidation state changes from Ti4+ in stoichiometric films towards Ti3+ upon increasing departure from stoichiometric composition. This change is accompanied by the significant decrease in the electrical resistivity. The comparison of band gap energies, determined independently from optical and valence band X-ray absorption/emission spectra is good assuming direct allowed transitions.

  16. Hybrid coupled cluster methods based on the split virtual orbitals: barrier heights of reactions and spectroscopic constants of open-shell diatomic molecules.

    PubMed

    Kou, Zhuangfei; Shen, Jun; Xu, Enhua; Li, Shuhua

    2013-01-24

    We report an efficient implementation of the coupled cluster (CC) singles, doubles, and a hybrid treatment of triples based on the split virtual orbitals (SVO-CCSD(T)-h) method [J. Chem. Phys.2012, 136, 044101]. In this approach, virtual orbitals are split into two subsets, and correspondingly triple excitations are divided into active and inactive subsets. The active triple excitations are treated with the CCSDt (CC singles, doubles, and active triples) method, while the inactive triple excitations are treated with the CCSD(T) (CC singles, doubles, and perturbative triples) method. In the present work, the use of semicanonical molecular orbitals allows the CCSD(T)-like equations in SVO-CCSD(T)-h to be solved without iteration. As a result, the present SVO-CCSD(T)-h scheme does not need a large disk space to store the large number of triple excitation amplitudes, which is required by the original scheme. Test applications indicate that the present method can give results almost identical to those of the original scheme. The present method is then applied to investigate the reaction barriers for a number of simple reactions and spectroscopic constants including the equilibrium bond lengths and vibrational frequencies in several open-shell diatomic molecules. The SVO-CCSD(T)-h method is demonstrated to provide a significant improvement upon the CCSD(T) method in many cases. PMID:23270485

  17. Is DNA Barcoding Actually Cheaper and Faster than Traditional Morphological Methods: Results from a Survey of Freshwater Bioassessment Efforts in the United States?

    PubMed Central

    Stein, Eric D.; Martinez, Maria C.; Stiles, Sara; Miller, Peter E.; Zakharov, Evgeny V.

    2014-01-01

    Taxonomic identification accounts for a substantial portion of cost associated with bioassessment programs across the United States. New analytical approaches, such as DNA barcoding have been promoted as a way to reduce monitoring costs and improve efficiency, yet this assumption has not been thoroughly evaluated. We address this question by comparing costs for traditional morphology-based bioassessment, the standard Sanger sequencing-based DNA barcoding approach, and emerging next-generation (NGS) molecular methods. Market demand for molecular approaches is also assessed through a survey of the level of freshwater bioassessment effort in the United States across multiple habitat types (lakes, streams, wetlands) and indicators (benthic invertebrates, fish, algae). All state and regional level programs administered by public agencies and reported via agency web sites were included in the survey. Costs were based on surveys of labs and programs willing to provide such information. More than 19,500 sites are sampled annually across the United States, with the majority of effort occurring in streams. Benthic invertebrates are the most commonly used indicator, but algae and fish comprise between 35% and 21% of total sampling effort, respectively. We estimate that between $104 and $193 million is spent annually on routine freshwater bioassessment in the United States. Approximately 30% of the bioassessment costs are comprised of the cost to conduct traditional morphology-based taxonomy. Current barcoding costs using Sanger sequencing are between 1.7 and 3.4 times as expensive as traditional taxonomic approaches, excluding the cost of field sampling (which is common to both approaches). However, the cost of NGS methods are comparable (or slightly less expensive) than traditional methods depending on the indicator. The promise of barcoding as a cheaper alternative to current practices is not yet realized, although molecular methods may provide other benefits, such as a faster sample processing and increased taxonomic resolution. PMID:24755838

  18. Is DNA barcoding actually cheaper and faster than traditional morphological methods: results from a survey of freshwater bioassessment efforts in the United States?

    PubMed

    Stein, Eric D; Martinez, Maria C; Stiles, Sara; Miller, Peter E; Zakharov, Evgeny V

    2014-01-01

    Taxonomic identification accounts for a substantial portion of cost associated with bioassessment programs across the United States. New analytical approaches, such as DNA barcoding have been promoted as a way to reduce monitoring costs and improve efficiency, yet this assumption has not been thoroughly evaluated. We address this question by comparing costs for traditional morphology-based bioassessment, the standard Sanger sequencing-based DNA barcoding approach, and emerging next-generation (NGS) molecular methods. Market demand for molecular approaches is also assessed through a survey of the level of freshwater bioassessment effort in the United States across multiple habitat types (lakes, streams, wetlands) and indicators (benthic invertebrates, fish, algae). All state and regional level programs administered by public agencies and reported via agency web sites were included in the survey. Costs were based on surveys of labs and programs willing to provide such information. More than 19,500 sites are sampled annually across the United States, with the majority of effort occurring in streams. Benthic invertebrates are the most commonly used indicator, but algae and fish comprise between 35% and 21% of total sampling effort, respectively. We estimate that between $104 and $193 million is spent annually on routine freshwater bioassessment in the United States. Approximately 30% of the bioassessment costs are comprised of the cost to conduct traditional morphology-based taxonomy. Current barcoding costs using Sanger sequencing are between 1.7 and 3.4 times as expensive as traditional taxonomic approaches, excluding the cost of field sampling (which is common to both approaches). However, the cost of NGS methods are comparable (or slightly less expensive) than traditional methods depending on the indicator. The promise of barcoding as a cheaper alternative to current practices is not yet realized, although molecular methods may provide other benefits, such as a faster sample processing and increased taxonomic resolution. PMID:24755838

  19. Insight into the roles of earthworm in vermicomposting of sewage sludge by determining the water-extracts through chemical and spectroscopic methods.

    PubMed

    Yang, Jian; Lv, Baoyi; Zhang, Jie; Xing, Meiyan

    2014-02-01

    This work illustrated the effects of earthworm in vermicomposting (Eisenia fetida) by determining the water-extracts through chemical and spectroscopic methods. A field experiment with sludge as the only feed was subjected to vermicomposting and the control (without worms) for three weeks. Compared to the control, vermicomposting resulted in lower pH and water-extractable organic carbon (WEOC) along with higher electrical conductivity (EC). Moreover, vermicomposting caused nearly two times higher content of water-extractable nitrate (WEN-NO3(-)) than the control. Furthermore, fourier transform infrared spectra (FT-IR) revealed that vermicomposting promoted the hydrolysis/transformation of macromolecular organic matters and accelerated the degradation of polysaccharide-like and protein-like materials. Fluorescence spectroscopy also reflected vermicomposting led to higher humification degree than the control. In all, this study supplies a new view to assess the roles of earthworm in vermicomposting of sewage sludge by evaluating the water extracts. PMID:24384315

  20. Spectroscopic evaluation of thymol dissolved by different methods and influence on acaricidal activity against larvae of Rhipicephalus microplus (Acari: Ixodidae).

    PubMed

    Daemon, Erik; Monteiro, Caio Mrcio Oliveira; Maturano, Ralph; Senra, Tatiane Oliveira Souza; Calmon, Fernanda; Faza, Aline; de Azevedo Prata, Mrcia Cristina; Georgopoulos, Stfanos Leite; de Oliveira, Luiz Fernando Cappa

    2012-11-01

    The acaricidal activity of three thymol formulations was investigated at five concentrations (1.25, 2.5, 5.0, 7.5, and 10.0 mg/ml) on Rhipicephalus microplus larvae, and the behavior of its solubility in these formulations was analyzed. The thymol was dissolved in distilled water plus 1 % dimethylsulfoxide as adjuvant under two heating regimes (water bath in formulation 1 and hot plate in formulation 2) as well as without heating in 50 % ethanol and 50 % water (v/v). The acaricidal activity was assessed by the modified larval packet test, and the solubilization behavior was investigated by ultraviolet-visible spectroscopy, based on the Beer-Lambert law. With formulations 1 and 2, the mortality was greater than 95 % starting at the thymol concentrations of 5.0 and 7.5 mg/ml, respectively, while with formulation 3, this mortality level was reached starting at a concentration of 2.5 mg/ml, showing that the addition of ethanol in the solution enhanced the acaricidal action of thymol. This result was supported by the LC 90 values, which were 3.3, 2.4, and 1.6 mg/ml of thymol for formulations 1, 2, and 3, respectively. This result is related to the better solubility of thymol in the hydroethanolic formulation, since the spectroscopic analysis revealed that the thymol dissolved more completely in this formulation. This fact was evident once the R (2) obtained from the linear regression analysis of the relation absorbance concentration of the formulations 1, 2, and 3 approached the optimal value (R (2)?=?1) in the following sequence: 1, 2, and 3 (0.717, 0.901, and 0.968, respectively). PMID:22797607

  1. A comparative study on the traditional Indian Shodhana and Chinese processing methods for aconite roots by characterization and determination of the major components

    PubMed Central

    2013-01-01

    Background Aconitum is an indispensable entity of the traditional medicine therapy in Ayurveda and Traditional Chinese medicine (TCM), in spite of its known fatal toxicity characteristics. The prolonged use of this drug, irrespective of its known lethal effects, is governed by the practice of effective detoxification processes that have been used for decades. However, the processing methods of Ayurveda and TCM are different, and no comparative study has been carried out to evaluate their differences. The objective of the present study was to carry out comparative chemical profiling of the roots of Aconitum heterophyllum Wall, A. carmichaelii Debx., and A. kusnezoffii Reichb. after application of two detoxification methods used in Ayurveda and one method used in TCM . Results Analysis of the processed samples was carried out by ultra-high performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry (UHPLC-QTOF/MS). The results obtained in the study demonstrate that all three processing methods used in Ayurveda and TCM effectively extract the diester diterpenoid alkaloids and led to their conversion into monoester diterpenoid alkaloids. The efficiency of the processes in reduction of toxic alkaloid contents can be stated as: Processing with water?>?Shodhana with cow milk?>?Shodhana with cow urine. The analysis method was validated as per ICH-Q2R1 guidelines and all the parameters were found to comply with the recommendations stated in the guidelines. Conclusions There have been no reports till date, to compare the processing methods used in Ayurveda with the methods used in TCM for detoxification of aconite roots. Our study demonstrates that, these methods used in both the traditional systems of medicine, efficiently detoxify the aconite roots. Amongst the three selected procedures, the TCM method of decoction with water is the most efficient. Through experimental evidences, we prove the conversion of toxic diester diterpenoid alkaloids to relatively safer monoester diterpenoid alkaloids. Thus, this study demonstrates that comparative study on the traditional experiences accumulated in different medical systems is useful for expanding their respective applications. PMID:24156713

  2. Comparing two methods of education (virtual versus traditional) on learning of Iranian dental students: a post-test only design study

    PubMed Central

    2014-01-01

    Background The importance of using technologies such as e-learning in different disciplines is discussed in the literature. Researchers have measured the effectiveness of e-learning in a number of fields. Considering the lack of research on the effectiveness of online learning in dental education particularly in Iran, the advantages of these learning methods and the positive university atmosphere regarding the use of online learning. This study, therefore, aims to compare the effects of two methods of teaching (virtual versus traditional) on student learning. Methods This post-test only design study approached 40, fifth year dental students of Shiraz University of Medical Sciences. From this group, 35 students agreed to participate. These students were randomly allocated into two groups, experimental (virtual learning) and comparison (traditional learning). To ensure similarity between groups, we compared GPAs of all participants by the MannWhitney U test (P?>?0.05). The experimental group received a virtual learning environment courseware package specifically designed for this study, whereas the control group received the same module structured in a traditional lecture form. The virtual learning environment consisted of online and offline materials. Two identical valid, reliable post-tests that consisted of 40 multiple choice questions (MCQs) and 4 essay questions were administered immediately (15min) after the last session and two months later to assess for knowledge retention. Data were analyzed by SPSS version 20. Results A comparison of the mean knowledge score of both groups showed that virtual learning was more effective than traditional learning (effect size?=?0.69). Conclusion The newly designed virtual learning package is feasible and will result in more effective learning in comparison with lecture-based training. However further studies are needed to generalize the findings of this study. PMID:24597923

  3. Virtual Reality Anatomy: Is It Comparable with Traditional Methods in the Teaching of Human Forearm Musculoskeletal Anatomy?

    ERIC Educational Resources Information Center

    Codd, Anthony M.; Choudhury, Bipasha

    2011-01-01

    The use of cadavers to teach anatomy is well established, but limitations with this approach have led to the introduction of alternative teaching methods. One such method is the use of three-dimensional virtual reality computer models. An interactive, three-dimensional computer model of human forearm anterior compartment musculoskeletal anatomy…

  4. Virtual Reality Anatomy: Is It Comparable with Traditional Methods in the Teaching of Human Forearm Musculoskeletal Anatomy?

    ERIC Educational Resources Information Center

    Codd, Anthony M.; Choudhury, Bipasha

    2011-01-01

    The use of cadavers to teach anatomy is well established, but limitations with this approach have led to the introduction of alternative teaching methods. One such method is the use of three-dimensional virtual reality computer models. An interactive, three-dimensional computer model of human forearm anterior compartment musculoskeletal anatomy

  5. Relevance of Vṛkṣāyurveda and other traditional methods for organic production of nursery seedlings of useful plants

    PubMed Central

    Suresh, Geetha; Haridasan, K.; Krishnamurthy, Kulithala Viswanathan

    2013-01-01

    Plant propagation is critical to augment the resource and has been the main concern for farmers and planters through history. India has evolved the science of Vṛkṣāyurveda to address the above issue. An effort is made here to review Vṛkṣāyurveda literature related to nursery techniques. Different libraries were visited and relevant review material obtained by hand search and from databases. Interaction with Sanskrit scholars and eminent scientists working in the field of Vṛkṣāyurveda, as well as the efforts of the authors of this paper, helped in the selection of pertinent literature. In the absence of original texts, authentic translations of the publications were referred. A conscious decision was made to limit the search to the fields of seed storage, pretreatment and nutrition of seedlings. To have a comparative account recent trends and literature on nursery technology were also examined. This was supplemented by interviews with traditional organic farmers. Our survey revealed that the time period of the literature pertaining to Vṛkṣāyurveda ranges from BCE 1200 to the present times. The subject has evolved from morphological descriptions and uses of plants, in texts such as Ṛgveda and Atharvaveda, to treatises dedicated solely to the art of growing plants like Kṛṣi-Parāśara and Vṛkṣāyurveda. It is also evident that there were important periods when more works appeared across subjects such as water divining, soil types, seed collection and storage, propagation, germination and sprouting, watering regimen, pest, and disease control. The review revealed that valuable information pertaining to nursery techniques is available in Vṛkṣāyurveda, which can be used in the development of nursery protocol. This will not only help in effective organic nursery management, but also ensure the health and livelihood security of the communities involved and effective waste management. PMID:25161333

  6. Digital assist: A comparison of two note-taking methods (traditional vs. digital pen) for students with emotional behavioral disorders

    NASA Astrophysics Data System (ADS)

    Rody, Carlotta A.

    High school biology classes traditionally follow a lecture format to disseminate content and new terminology. With the inclusive practices of No Child Left Behind, the Common Core State Standards, and end-of-course exam requirement for high school diplomas, classes include a large range of achievement levels and abilities. Teachers assume, often incorrectly, that students come to class prepared to listen and take notes. In a standard diploma, high school biology class in a separate school for students with emotional and behavioral disorders, five students participated in a single-subject, alternating treatment design study that compared the use of regular pens and digital pens to take notes during 21 lecture sessions. Behavior measures were threefold between the two interventions: (a) quantity of notes taken per minute during lectures, (b) quantity of notes or notations taken during review pauses, and (c) percent of correct responses on the daily comprehension quizzes. The study's data indicated that two students were inclined to take more lecture notes when using the digital pen. Two students took more notes with the regular pen. One student demonstrated no difference in her performance with either pen type. Both female students took more notes per minute, on average, than the three males regardless of pen type. During the review pause, three of the five students only added notes or notations to their notes when using the regular pen. The remaining two students did not add to their notes. Quiz scores differed in favor of the regular pen. All five participants earned higher scores on quizzes given during regular pen sessions. However, the differences were minor, and recommendations are made for specific training in note-taking, the pause strategy, and digital pen fluency which may produce different results for both note-taking and quiz scores.

  7. Benchmarking a new closed-form thermal analysis technique against a traditional lumped parameter, finite-difference method

    SciTech Connect

    Huff, K. D.; Bauer, T. H.

    2012-08-20

    A benchmarking effort was conducted to determine the accuracy of a new analytic generic geology thermal repository model developed at LLNL relative to a more traditional, numerical, lumped parameter technique. The fast-running analytical thermal transport model assumes uniform thermal properties throughout a homogenous storage medium. Arrays of time-dependent heat sources are included geometrically as arrays of line segments and points. The solver uses a source-based linear superposition of closed form analytical functions from each contributing point or line to arrive at an estimate of the thermal evolution of a generic geologic repository. Temperature rise throughout the storage medium is computed as a linear superposition of temperature rises. It is modeled using the MathCAD mathematical engine and is parameterized to allow myriad gridded repository geometries and geologic characteristics [4]. It was anticipated that the accuracy and utility of the temperature field calculated with the LLNL analytical model would provide an accurate 'birds-eye' view in regions that are many tunnel radii away from actual storage units; i.e., at distances where tunnels and individual storage units could realistically be approximated as physical lines or points. However, geometrically explicit storage units, waste packages, tunnel walls and close-in rock are not included in the MathCAD model. The present benchmarking effort therefore focuses on the ability of the analytical model to accurately represent the close-in temperature field. Specifically, close-in temperatures computed with the LLNL MathCAD model were benchmarked against temperatures computed using geometrically-explicit lumped-parameter, repository thermal modeling technique developed over several years at ANL using the SINDAG thermal modeling code [5]. Application of this numerical modeling technique to underground storage of heat generating nuclear waste streams within the proposed YMR Site has been widely reported [6]. New SINDAG thermal models presented here share this same basic modeling approach.

  8. Exploration of Porphyrin-based Semiconductors for Negative Charge Transport Applications Using Synthetic, Spectroscopic, Potentiometric, Magnetic Resonance, and Computational Methods

    NASA Astrophysics Data System (ADS)

    Rawson, Jeffrey Scott

    Organic pi-conjugated materials are emerging as commercially relevant components in electronic applications that include transistors, light-emitting diodes, and solar cells. One requirement common to all of these functions is an aptitude for accepting and transmitting charges. It is generally agreed that the development of organic semiconductors that favor electrons as the majority carriers (n-type) lags behind the advances in hole transporting (p-type) materials. This shortcoming suggests that the design space for n-type materials is not yet well explored, presenting researchers with the opportunity to develop unconventional architectures. In this regard, it is worth noting that discrete molecular materials are demonstrating the potential to usurp the preeminent positions that pi-conjugated polymers have held in these areas of organic electronics research. This dissertation describes how an extraordinary class of molecules, meso-to-meso ethyne-bridged porphyrin arrays, has been bent to these new uses. Chapter one describes vis-NIR spectroscopic and magnetic resonance measurements revealing that these porphyrin arrays possess a remarkable aptitude for the delocalization of negative charge. In fact, the miniscule electron-lattice interactions exhibited in these rigid molecules allow them to host the most vast electron-polarons ever observed in a pi-conjugated material. Chapter two describes the development of an ethyne-bridged porphyrin-isoindigo hybrid chromophore that can take the place of fullerene derivatives in the conventional thin film solar cell architecture. Particularly noteworthy is the key role played by the 5,15-bis(heptafluoropropyl)porphyrin building block in the engineering of a chromophore that, gram for gram, is twice as absorptive as poly(3-hexyl)thiophene, exhibits a lower energy absorption onset than this polymer, and yet possesses a photoexcited singlet state sufficiently energetic to transfer a hole to this polymer. Chapter three describes synthetic efforts that expand the repertoire of readily available meso-heptafluoropropyl porphyrin building blocks. The findings suggest that the remaining challenges to the exploitation of these pigments will be overcome by a sufficiently firm grasp of their subtle electronic structures, and a willingness to eschew the customary strategies of chromophore assembly.

  9. What Role Do Traditional Beliefs Play in Treatment Seeking and Delay for Buruli Ulcer Disease?Insights from a Mixed Methods Study in Cameroon

    PubMed Central

    Peeters Grietens, Koen; Toomer, Elizabeth; Um Boock, Alphonse; Hausmann-Muela, Susanna; Peeters, Hans; Kanobana, Kirezi; Gryseels, Charlotte; Ribera, Joan Muela

    2012-01-01

    Background Victims of Buruli ulcer disease (BUD) frequently report to specialized units at a late stage of the disease. This delay has been associated with local beliefs and a preference for traditional healing linked to a reportedly mystical origin of the disease. We assessed the role beliefs play in determining BUD sufferers choice between traditional and biomedical treatments. Methods Anthropological fieldwork was conducted in community and clinical settings in the region of Ayos and Akonolinga in Central Cameroon. The research design consisted of a mixed methods study, triangulating a qualitative strand based on ethnographic research and quantitative data obtained through a survey presented to all patients at the Ayos and Akonolinga hospitals (N?=?79) at the time of study and in four endemic communities (N?=?73) belonging to the hospitals catchment area. Results The analysis of BUD sufferers health-seeking behaviour showed extremely complex therapeutic itineraries, including various attempts and failures both in the biomedical and traditional fields. Contrary to expectations, nearly half of all hospital patients attributed their illness to mystical causes, while traditional healers admitted patients they perceived to be infected by natural causes. Moreover, both patients in hospitals and in communities often combined elements of both types of treatments. Ultimately, perceptions regarding the effectiveness of the treatment, the option for local treatment as a cost prevention strategy and the characteristics of the doctor-patient relationship were more determinant for treatment choice than beliefs. Discussion The ascription of delay and treatment choice to beliefs constitutes an over-simplification of BUD health-seeking behaviour and places the responsibility directly on the shoulders of BUD sufferers while potentially neglecting other structural elements. While more efficacious treatment in the biomedical sector is likely to reduce perceived mystical involvement in the disease, additional decentralization could constitute a key element to reduce delay and increase adherence to biomedical treatment. PMID:22623964

  10. [Identification of Chinese Traditional Medicine Cistanches Herba from Different Places by HPLC-ESI-MS and FTIR Methods].

    PubMed

    Zhou, Ye; Li, Wei; Han, Li-feng; Song, Xin-bo; Li, Pei-fu; Wang, Rui; Zhang, Bo--Li

    2015-04-01

    Five samples of Cistanches Herba from different places were analyzed by HPLC-ESI-MS and FTIR methods. The effective compositions in Cistanches Herba including cistanoside A, echinacoside, acteoside , isoacteoside, 2'-actylacteoside, cistanoside C and tubluoside B were determined by HPLC-MS. The common peak ratio and variant peak ratio were calculated by FTIR spectroscopy of the five samples and the dual index sequence of common peak ratio and variant peak ratio were established. The results showed that the evaluation results of the samples by the two methods were the same. The general fake plant Cynomorii Herba could be identified by FTIR. HPLC-ESI-MS, which has high sensitivity and rapid determination procedure, can be used to evaluate quality of Cistanches Herba by quantitative analysis of the primary compositions. FTIR is a non-destructive analysis method. without complicated extraction and separation procedures to the samples. The absorption strength and the absorption shape were the synergistic effect of the functional groups and the nestification of the components in Cistanches Herba. The provided method has some advantages such as rapid analysis process, good reproducibility, non-destructive, small quantity of sample, simple treatment, good specificity, low-cost and environment-friendly. The method meets the trend of complex analysis and whole analysis for the Chinese medicines. Combination of FTIR and HPLC-ESI-MS was a good method for identification and evaluation of quality of Chinese medicines. PMID:26197602

  11. Teaching Design in the First Years of a Traditional Mechanical Engineering Degree: Methods, Issues and Future Perspectives

    ERIC Educational Resources Information Center

    Silva, Arlindo; Fontul, Mihail; Henriques, Elsa

    2015-01-01

    Engineering design is known as an answer to an ill-defined problem. As any answer to an ill-defined problem, it can never be completely right or absolutely wrong. The methods that universities use to teach engineering design, as a consequence of this, suffer from the same fate. However, the accumulated experience with the "chalk and

  12. Performance of flax mat to replace E-glass in panels produced using traditional thermoset resin infusion methods.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The purpose of the project was to assess the capability of non-optimized, commercially producible flax fiber to be fabricated into composites using a polyester thermoset resin and manufacturing methods common to industry. Flax composite panels were manufactured using a disposable bag resin infusion...

  13. Teaching Design in the First Years of a Traditional Mechanical Engineering Degree: Methods, Issues and Future Perspectives

    ERIC Educational Resources Information Center

    Silva, Arlindo; Fontul, Mihail; Henriques, Elsa

    2015-01-01

    Engineering design is known as an answer to an ill-defined problem. As any answer to an ill-defined problem, it can never be completely right or absolutely wrong. The methods that universities use to teach engineering design, as a consequence of this, suffer from the same fate. However, the accumulated experience with the "chalk and…

  14. An efficient, maintenance free and approved method for spectroscopic control and monitoring of blend uniformity: The moving F-test.

    PubMed

    Besseling, Rut; Damen, Michiel; Tran, Thanh; Nguyen, Thanh; van den Dries, Kaspar; Oostra, Wim; Gerich, Ad

    2015-10-10

    Dry powder mixing is a wide spread Unit Operation in the Pharmaceutical industry. With the advent of in-line Near Infrared (NIR) Spectroscopy and Quality by Design principles, application of Process Analytical Technology to monitor Blend Uniformity (BU) is taking a more prominent role. Yet routine use of NIR for monitoring, let alone control of blending processes is not common in the industry, despite the improved process understanding and (cost) efficiency that it may offer. Method maintenance, robustness and translation to regulatory requirements have been important barriers to implement the method. This paper presents a qualitative NIR-BU method offering a convenient and compliant approach to apply BU control for routine operation and process understanding, without extensive calibration and method maintenance requirements. The method employs a moving F-test to detect the steady state of measured spectral variances and the endpoint of mixing. The fundamentals and performance characteristics of the method are first presented, followed by a description of the link to regulatory BU criteria, the method sensitivity and practical considerations. Applications in upscaling, tech transfer and commercial production are described, along with evaluation of the method performance by comparison with results from quantitative calibration models. A full application, in which end-point detection via the F-test controls the blending process of a low dose product, was successfully filed in Europe and Australia, implemented in commercial production and routinely used for about five years and more than 100 batches. PMID:26257268

  15. Multivariate methods on the excitation emission matrix fluorescence spectroscopic data of diesel-kerosene mixtures: a comparative study.

    PubMed

    Divya, O; Mishra, Ashok K

    2007-05-29

    Quantitative determination of kerosene fraction present in diesel has been carried out based on excitation emission matrix fluorescence (EEMF) along with parallel factor analysis (PARAFAC) and N-way partial least squares regression (N-PLS). EEMF is a simple, sensitive and nondestructive method suitable for the analysis of multifluorophoric mixtures. Calibration models consisting of varying compositions of diesel and kerosene were constructed and their validation was carried out using leave-one-out cross validation method. The accuracy of the model was evaluated through the root mean square error of prediction (RMSEP) for the PARAFAC, N-PLS and unfold PLS methods. N-PLS was found to be a better method compared to PARAFAC and unfold PLS method because of its low RMSEP values. PMID:17499074

  16. NMR, FT-IR, FT-Raman, UV spectroscopic, HOMO-LUMO and NBO analysis of cumene by quantum computational methods

    NASA Astrophysics Data System (ADS)

    Sivaranjani, T.; Xavier, S.; Periandy, S.

    2015-03-01

    This work presents the investigation of cumene using the FT-IR, FT-Raman, NMR and UV spectra obtained through various spectroscopic techniques. The theoretical vibrational frequencies and optimized geometric parameters have been calculated by using HF and density functional theory with the hybrid methods B3LYP, B3PW91 and 6-311+G(d,p)/6-311++G(d,p) basis sets. The theoretical vibrational frequencies have been scaled and compared with the corresponding experimental data. 1H and 13C NMR spectra were recorded and chemical shifts of the molecule were compared to TMS by using the Gauge-Independent Atomic Orbital (GIAO) method. A study on the electronic and optical properties, absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, and potential energy surface (PES) is performed using HF and DFT methods. The thermodynamic properties (heat capacity, entropy and enthalpy) at different temperatures are also calculated. NBO analysis is carried out to picture the charge transfer between the localized bonds and lone pairs. NLO properties related to polarizability and hyperpolarizability are also discussed.

  17. Simultaneous Determination of Six Active Compounds in Yixin Badiranjibuya Granules, a Traditional Chinese Medicine, by RP-HPLC-UV Method

    PubMed Central

    Yu, Ning; He, ChenHui; Awuti, Gulistan; Zeng, Cheng; Xing, JianGuo; Huang, Wei

    2015-01-01

    In this study, a sensitive, precise, and accurate HPLC-UV method was developed and validated to simultaneously determine the six analytes (luteolin-7-O-β-D-glucuronide, apigenin-7-O-β-D-glucuronide, diosmetin-7-O-β-D-glucuronide, acacetin-7-O-β-D-glucuronide, tilianin, and rosmarinic acid) in Yixin Badiranjibuya Granules, in which five analytes (i.e., luteolin-7-O-β-D-glucuronide, apigenin-7-O-β-D-glucuronide, diosmetin-7-O-β-D-glucuronide, acacetin-7-O-β-D-glucuronide, and rosmarinic acid) were determined for the first time in Yixin Badiranjibuya Granules, the content of tilianin in Yixin Badiranjibuya Granules was reported in other literatures, and the content of tilianin in our work was higher than that of the literature reports. The quality of 11 batch samples from four different manufacturers was evaluated using the proposed determination method. The contents of the six analytes were largely different among samples from various manufacturers. Therefore, this determination method can provide a scientific basis for quality evaluation and control of Yixin Badiranjibuya Granules. PMID:26587308

  18. Isoflavones, Flavan-3-ols, phenolic acids, total phenolic profiles, and antioxidant capacities of soy milk as affected by ultrahigh-temperature and traditional processing methods.

    PubMed

    Xu, Baojun; Chang, Sam K C

    2009-06-10

    The objectives of this work were to assess antioxidant activities and phenolic compounds of soy milk as affected by traditional and ultrahigh-temperature (UHT) processing. Three soybean varieties were processed into raw soy milk and then cooked soy milk by indirect and direct UHT methods (both at 143 degrees C for 60 s) and traditional cooking (stove cooking and steam injection) methods (both at 100 degrees C for 20 min). Total phenolic content (TPC), total flavonoid content (TFC), phenolic acids, isoflavones, flavan-3-ols, and anthocyanins were quantified. DPPH free radical scavenging activity, ferric reducing antioxidant power (FRAP), and oxygen radical absorbance capacity (ORAC) were analyzed. As compared to the raw soy milk, all thermal processing significantly (p < 0.05) reduced TPC values and significantly (p < 0.05) increased TFC values for all soybean varieties. All processing methods significantly (p < 0.05) increased DPPH and FRAP values in the soy milk processed from yellow soybean varieties Proto and IA 2032. UHT processing increased their ORAC values, but traditional and steam processing reduced their ORAC values. However, in the case of the soy milk from black soybean, all processing reduced ORAC values as compared to the raw soy milk. None of processing affected total phenolic acids, chlorogenic, and trans-cinnamic acid, as well as (+)-catechin. However, all processing significantly (p < 0.05) affected contents of total isoflavones and individual isoflavones. Thermal processing caused significant (p < 0.05) increases in 7-O-beta-glucosides and acetylglucosides, but caused significant (p < 0.05) decreases in malonylglucosides and aglycones. Indirect UHT processing transformed more isoflavones from malonylglucosides into 7-O-beta-glucosides than the direct UHT did. PMID:19425575

  19. A theoretical vibrational spectroscopic study with density functional theory and force field refinement calculation methods on free 4-aminopyrimidine molecule

    NASA Astrophysics Data System (ADS)

    Balci, K.; Akyuz, S.

    2005-06-01

    A detailed investigation of the geometric structure, force field, electro-optical parameters, relative IR intensities and harmonic vibrational wavenumbers of free 4-aminopyrimidine molecule (4APM) in the electronically ground state has been carried out by using both the DFT-B3LYP (with 6-31++G(d,p) double and 6-311++G(d,p) triple basis sets) and force field refinement calculation methods. The vibrational wavenumbers calculated with DFT method were scaled by using two different methods: (1) scaling with dual scaling factors, (2) deriving the scaling factors from the graph of observed versus calculated wavenumbers. In the case of force field refinement method, the force constants of the pyrimidine were slightly refined so as to fit the calculated wavenumbers to the experimental ones. In order to define the contributions of the internal coordinates of the molecule on its each normal vibrational mode, P.E.D. calculations were performed. In wavenumber and PED calculations, both methods have yield results in agreement with the experimental assignment and also with each other, particularly for ring vibrations. The relative IR intensities calculated by the force field refinement method are considerably in good agreement with experimental ones, however, the results of the IR intensities, obtained from the DFT method are found to be significantly different from the experimental values.

  20. Effect of a traditional processing method on the chemical composition of local white lupin (Lupinus albus L.) seed in North-Western Ethiopia.

    PubMed

    Yeheyis, Likawent; Kijora, Claudia; Wink, Michael; Peters, Kurt J

    2011-01-01

    The effect of a traditional Ethiopian lupin processing method on the chemical composition of lupin seed samples was studied. Two sampling districts, namely Mecha and Sekela, representing the mid- and high-altitude areas of north-western Ethiopia, respectively, were randomly selected. Different types of traditionally processed and marketed lupin seed samples (raw, roasted, and finished) were collected in six replications from each district. Raw samples are unprocessed, and roasted samples are roasted using firewood. Finished samples are those ready for human consumption as snack. Thousand seed weight for raw and roasted samples within a study district was similar (P > 0.05), but it was lower (P < 0.01) for finished samples compared to raw and roasted samples. The crude fibre content of finished lupin seed sample from Mecha was lower (P < 0.01) than that of raw and roasted samples. However, the different lupin samples from Sekela had similar crude fibre content (P > 0.05). The crude protein and crude fat contents of finished samples within a study district were higher (P < 0.01) than those of raw and roasted samples, respectively. Roasting had no effect on the crude protein content of lupin seed samples. The crude ash content of raw and roasted lupin samples within a study district was higher (P < 0.01) than that of finished lupin samples of the respective study districts. The content of quinolizidine alkaloids of finished lupin samples was lower than that of raw and roasted samples. There was also an interaction effect between location and lupin sample type. The traditional processing method of lupin seeds in Ethiopia has a positive contribution improving the crude protein and crude fat content, and lowering the alkaloid content of the finished product. The study showed the possibility of adopting the traditional processing method to process bitter white lupin for the use as protein supplement in livestock feed in Ethiopia, but further work has to be done on the processing method and animal evaluation. PMID:21950165

  1. A comparison between brand-specific and traditional alcohol surveillance methods to assess underage drinkers’ reported alcohol use

    PubMed Central

    Roberts, Sarah P.; Siegel, Michael B.; DeJong, William; Jernigan, David H.

    2014-01-01

    Background Adolescent alcohol consumption remains common and is associated with many negative health outcomes. Unfortunately, common alcohol surveillance methods often underestimate consumption. Improved alcohol use measures are needed to characterize the landscape of youth drinking. Objectives We aimed to compare a standard quantity-frequency measure of youth alcohol consumption to a novel brand-specific measure. Methods We recruited a sample of 1,031 respondents across the United States to complete an online survey. Analyses included 833 male and female underage drinkers ages 13–20. Respondents reported on how many of the past 30 days they consumed alcohol, and the number of drinks consumed on an average drinking day. Using our brand-specific measure, respondents identified which brands they consumed, how many days they consumed each brand, and how many drinks per brand they usually had. Results Youth reported consuming significantly more alcohol (on average, 11 drinks more per month) when responding to the brand-specific versus the standard measure (p<.001). The two major predictors of the difference between the two measures were being a heavy episodic drinker (p<.001, 95% CI = 4.1 to 12.0) and the total number of brands consumed (p<.001, 95% CI = 2.0 to 2.8). Conclusion This study contributes to the field of alcohol and adolescent research first by investigating a potentially more accurate alcohol surveillance method, and secondly by promoting the assessment of alcohol use among adolescents vulnerable to risky alcohol use. Finally, our survey addresses the potential impact of alcohol marketing on youth and their subsequent alcohol brand preferences and consumption. PMID:25062357

  2. Computer-assisted design and computer-assisted modeling technique optimization and advantages over traditional methods of osseous flap reconstruction.

    PubMed

    Matros, Evan; Albornoz, Claudia R; Rensberger, Michael; Weimer, Katherine; Garfein, Evan S

    2014-06-01

    There is increased clinical use of computer-assisted design (CAD) and computer-assisted modeling (CAM) for osseous flap reconstruction, particularly in the head and neck region. Limited information exists about methods to optimize the application of this new technology and for cases in which it may be advantageous over existing methods of osseous flap shaping. A consecutive series of osseous reconstructions planned with CAD/CAM over the past 5 years was analyzed. Conceptual considerations and refinements in the CAD/CAM process were evaluated. A total of 48 reconstructions were performed using CAD/CAM. The majority of cases were performed for head and neck tumor reconstruction or related complications whereas the remainder (4%) were performed for penetrating trauma. Defect location was the mandible (85%), maxilla (12.5%), and pelvis (2%). Reconstruction was performed immediately in 73% of the cases and delayed in 27% of the cases. The mean number of osseous flap bone segments used in reconstruction was 2.41. Areas of optimization include the following: mandible cutting guide placement, osteotomy creation, alternative planning, and saw blade optimization. Identified benefits of CAD/CAM over current techniques include the following: delayed timing, anterior mandible defects, specimen distortion, osteotomy creation in three dimensions, osteotomy junction overlap, plate adaptation, and maxillary reconstruction. Experience with CAD/CAM for osseous reconstruction has identified tools for technique optimization and cases where this technology may prove beneficial over existing methods. Knowledge of these facts may contribute to improved use and main-stream adoption of CAD/CAM virtual surgical planning by reconstructive surgeons. PMID:24323480

  3. Simultaneous quantification of six major phenolic acids in the roots of Salvia miltiorrhiza and four related traditional Chinese medicinal preparations by HPLC-DAD method.

    PubMed

    Liu, Ai-Hua; Li, Lie; Xu, Man; Lin, Yan-Hua; Guo, Hong-Zhu; Guo, De-An

    2006-04-11

    A high-performance liquid chromatographic method was applied to the determination of danshensu, protocatechuic aldehyde, rosmarinic acid, lithospermic acid, salvianolic acid B and salvianolic acid A in the roots of Salvia miltiorrhiza and four related traditional Chinese medicinal preparations. The six phenolic acids were simultaneously analyzed with a Zorbax Extend C18 column by gradient elution using 0.026% (v/v) phosphoric acid and acetonitrile as the mobile phase. The flow rate was 1 ml min(-1), and detection wavelength was set at 288 nm. The recovery of the method was in the range of 95.1-104.8%, and all the compounds showed good linearity (r > 0.9997) in a relatively wide concentration range. This assay was successfully applied to the determination of six major phenolic acids in 32 samples. The results indicated that the developed HPLC assay could be readily utilized as a quality control method for S. miltiorrhiza and its related traditional Chinese medicinal preparations. PMID:16332423

  4. Tradition in Science

    ERIC Educational Resources Information Center

    Heisenberg, Werner

    1973-01-01

    Discusses the influence of tradition in science on selection of scientific problems and methods and on the use of concepts as tools for research work. Indicates that future research studies will be directed toward the change of fundamental concepts in such fields as astrophysics, molecular biology, and environmental science. (CC)

  5. The analysis of colored acrylic, cotton, and wool textile fibers using micro-Raman spectroscopy. Part 2: comparison with the traditional methods of fiber examination.

    PubMed

    Buzzini, Patrick; Massonnet, Genevieve

    2015-05-01

    In the second part of this survey, the ability of micro-Raman spectroscopy to discriminate 180 fiber samples of blue, black, and red cottons, wools, and acrylics was compared to that gathered with the traditional methods for the examination of textile fibers in a forensic context (including light microscopy methods, UV-vis microspectrophotometry and thin-layer chromatography). This study shows that the Raman technique plays a complementary and useful role to obtain further discriminations after the application of light microscopy methods and UV-vis microspectrophotometry and assure the nondestructive nature of the analytical sequence. These additional discriminations were observed despite the lower discriminating powers of Raman data considered individually, compared to those of light microscopy and UV-vis MSP. This study also confirms that an instrument equipped with several laser lines is necessary for an efficient use as applied to the examination of textile fibers in a forensic setting. PMID:25731068

  6. Multi-spectroscopic method study the interaction of anti-inflammatory drug ketoprofen and calf thymus DNA and its analytical application

    NASA Astrophysics Data System (ADS)

    Guo, Hongqin; Cai, Changqun; Gong, Hang; Chen, Xiaoming

    2011-06-01

    Interactions of the anti-inflammatory drug ketoprofen with calf thymus DNA (ctDNA) in aqueous solution have been studied by multi-spectroscopic method including resonance light scattering (RLS) technique, ultraviolet spectra (UV), 1H NMR, etc. The characteristics of RLS spectra, the effective factors and optimum conditions of the reaction have been unequivocally investigated. Mechanism investigations have shown that ketoprofen can bind to ctDNA by groove binding and form large particles, which resulted in the enhancement of RLS intensity. In Critic acid-Na 2HPO 4 buffer (pH = 6.5), ketoprofen has a maximum peak 451.5 nm and the RLS intensity is remarkably enhanced by trace amount of ctDNA due to the interaction between ketoprofen and ctDNA. The enhancement of RLS signal is directly proportional to the concentration of ctDNA in the range of 1.20 × 10 -6-1.0 × 10 -5 mol/L, and its detection limit (3 σ) is 1.33 × 10 -9 mol/L. The method is simple, rapid, practical and relatively free from interference generated by coexisting substance, and was applied to the determination of trace amounts of nucleic acid in synthetic samples with satisfactory results.

  7. Multi-spectroscopic method study the interaction of anti-inflammatory drug ketoprofen and calf thymus DNA and its analytical application.

    PubMed

    Guo, Hongqin; Cai, Changqun; Gong, Hang; Chen, Xiaoming

    2011-06-01

    Interactions of the anti-inflammatory drug ketoprofen with calf thymus DNA (ctDNA) in aqueous solution have been studied by multi-spectroscopic method including resonance light scattering (RLS) technique, ultraviolet spectra (UV), (1)H NMR, etc. The characteristics of RLS spectra, the effective factors and optimum conditions of the reaction have been unequivocally investigated. Mechanism investigations have shown that ketoprofen can bind to ctDNA by groove binding and form large particles, which resulted in the enhancement of RLS intensity. In Critic acid-Na(2)HPO(4) buffer (pH=6.5), ketoprofen has a maximum peak 451.5 nm and the RLS intensity is remarkably enhanced by trace amount of ctDNA due to the interaction between ketoprofen and ctDNA. The enhancement of RLS signal is directly proportional to the concentration of ctDNA in the range of 1.2010(-6)-1.010(-5) mol/L, and its detection limit (3?) is 1.3310(-9) mol/L. The method is simple, rapid, practical and relatively free from interference generated by coexisting substance, and was applied to the determination of trace amounts of nucleic acid in synthetic samples with satisfactory results. PMID:21420349

  8. Improved method to visualize lipid distribution within arterial vessel walls by 1.7 μm spectroscopic spectral-domain optical coherence tomography

    NASA Astrophysics Data System (ADS)

    Hirano, Mitsuharu; Tonosaki, Shozo; Ueno, Takahiro; Tanaka, Masato; Hasegawa, Takemi

    2014-02-01

    We report an improved method to visualize lipid distribution in axial and lateral direction within arterial vessel walls by spectroscopic spectral-domain Optical Coherence Tomography (OCT) at 1.7μm wavelength for identification of lipidrich plaque that is suspected to cause coronary events. In our previous method, an extended InGaAs-based line camera detects an OCT interferometric spectrum from 1607 to 1766 nm, which is then divided into twenty subbands, and A-scan OCT profile is calculated for each subband, resulting in a tomographic spectrum. This tomographic spectrum is decomposed into lipid spectrum having an attenuation peak at 1730 nm and non-lipid spectrum independent of wavelength, and the weight of each spectrum, that is, lipid and non-lipid score is calculated. In this paper, we present an improved algorithm, in which we have combined the lipid score and the non-lipid score to derive a corrected lipid score. We have found that the corrected lipid score is better than the raw lipid score in that the former is more robust against false positive occurring due to abrupt change in reflectivity at vessel surface. In addition, we have optimized spatial smoothing filter and reduced false positive and false negative due to detection noise and speckle. We have verified this improved algorithm by the use of measuring data of normal porcine coronary artery and lard as a model of lipid-rich plaque and confirmed that both the sensitivity and the specificity of lard are 92%.

  9. Biophysical studies on the interactions of a classic mitochondrial uncoupler with bovine serum albumin by spectroscopic, isothermal titration calorimetric and molecular modeling methods.

    PubMed

    Zhang, Yue; Li, Jia-Han; Ge, Yu-Shu; Liu, Xiao-Rong; Jiang, Feng-Lei; Liu, Yi

    2011-03-01

    The interaction between a classic uncoupler (2,4-dinitrophenol, DNP) and bovine serum albumin (BSA) was investigated by fluorescence spectroscopy under the physiological conditions. The fluorescence quenching constants were calculated by the Stern-Volmer equation, and based upon the temperature dependence of quenching constants, it was proved that DNP caused a static quenching of the intrinsic fluorescence of BSA. Owing to the static quenching mechanism, different associative binding constants at various temperatures were determined and thus the thermodynamic parameters, namely enthalpy (?H=-21.12 kJ mol(-1)) and entropy changes (?S=23.51 J mol(-1) K(-1)) could be calculated based on the binding constants. Moreover, the enthalpy and entropy changes are consistent with the "Enthalpy-Entropy Compensation" equation obtained from our previous work. The negative enthalpy and positive entropy indicated that the electrostatic interactions played a major role in DNP-BSA binding process. Site marker competitive displacement experiments were carried out by using fluorescence and isothermal titration calorimetry (ITC) methods. These results showed that DNP bound with high affinity to Sudlow's site I (subdomain IIA) of BSA. The distance (r=3.78 nm) between donor (BSA) and acceptor (DNP) was obtained according to the mechanism of fluorescence resonance energy transfer (FRET). Furthermore, the results of synchronous fluorescence and circular dichroism (CD) spectroscopic studies indicated that the microenvironment and the secondary conformation of BSA were altered. The above results were supported by theoretical molecular modeling methods. PMID:20936333

  10. Into the environment of mosquito-borne disease: A spatial analysis of vector distribution using traditional and remotely sensed methods

    NASA Astrophysics Data System (ADS)

    Brown, Heidi E.

    Spatially explicit information is increasingly available for infectious disease modeling. However, such information is reluctantly or inappropriately incorporated. My dissertation research uses spatially explicit data to assess relationships between landscape and mosquito species distribution and discusses challenges regarding accurate predictive risk modeling. The goal of my research is to use remotely sensed environmental information and spatial statistical methods to better understand mosquito-borne disease epidemiology for improvement of public health responses. In addition to reviewing the progress of spatial infectious disease modeling, I present four research projects. I begin by evaluating the biases in surveillance data and build up to predictive modeling of mosquito species presence. In the first study I explore how mosquito surveillance trap types influence estimations of mosquito populations. Then. I use county-based human surveillance data and landscape variables to identify risk factors for West Nile virus disease. The third study uses satellite-based vegetation indices to identify spatial variation among West Nile virus vectors in an urban area and relates the variability to virus transmission dynamics. Finally, I explore how information from three satellite sensors of differing spatial and spectral resolution can be used to identify and distinguish mosquito habitat across central Connecticut wetlands. Analyses presented here constitute improvements to the prediction of mosquito distribution and therefore identification of disease risk factors. Current methods for mosquito surveillance data collection are labor intensive and provide an extremely limited, incomplete picture of the species composition and abundance. Human surveillance data offers additional challenges with respect to reporting bias and resolution, but is nonetheless informative in identifying environmental risk factors and disease transmission dynamics. Remotely sensed imagery supports mosquito and human disease surveillance data by providing spatially explicit, line resolution information about environmental factors relevant to vector-borne disease processes. Together, surveillance and remotely sensed environmental data facilitate improved description and modeling of disease transmission. Remote sensing can be used to develop predictive maps of mosquito distribution in relation to disease risk. This has implications for increased accuracy of mosquito control efforts. The projects presented in this dissertation enhance current public health capacities by examining the applications of spatial modeling with respect to mosquito-borne disease.

  11. Pyrosequencing for assessing diversity of eukaryotic microbes: analysis of data on marine planktonic ciliates and comparison with traditional methods.

    PubMed

    Santoferrara, Luciana F; Grattepanche, Jean-David; Katz, Laura A; McManus, George B

    2014-09-01

    Assessing microbial diversity requires analysis of all three domains of life, including eukaryotic microbes. We examined the diversity of two ecologically important clades of microbial eukaryotes, ciliates in the subclasses Oligotrichia and Choreotrichia (class Spirotrichea), by comparing pyrosequencing to Sanger-sequenced clone libraries and microscopy. Using samples from a large temperate estuary (Long Island Sound, USA), we gained three major insights. First, richness estimates varied by up to one order of magnitude either using different criteria for pyrosequence processing or among pyrosequencing, cloning and microscopy, while taxon identification was almost always coherent. Error-correcting algorithms for pyrosequences ('denoising') reduced discrepancies in richness but also removed known morphospecies from the data. Second, although most of the pyrosequenced operational taxonomic units (OTUs) were distributed within known orders and families, we found evidence of a previously uncharacterized or unknown clade even in these ciliate lineages that have a rich history of morphological description. Third, pyrosequencing allowed the detection of OTUs that were either dominant or extremely rare in different samples. Our findings confirm the potential of pyrosequencing for quantifying microbial diversity, but also highlight the importance of careful evaluation of pyrosequence processing for using this method to address ecological questions. PMID:24444191

  12. Traditional Chinese Biotechnology

    NASA Astrophysics Data System (ADS)

    Xu, Yan; Wang, Dong; Fan, Wen Lai; Mu, Xiao Qing; Chen, Jian

    The earliest industrial biotechnology originated in ancient China and developed into a vibrant industry in traditional Chinese liquor, rice wine, soy sauce, and vinegar. It is now a significant component of the Chinese economy valued annually at about 150 billion RMB. Although the production methods had existed and remained basically unchanged for centuries, modern developments in biotechnology and related fields in the last decades have greatly impacted on these industries and led to numerous technological innovations. In this chapter, the main biochemical processes and related technological innovations in traditional Chinese biotechnology are illustrated with recent advances in functional microbiology, microbial ecology, solid-state fermentation, enzymology, chemistry of impact flavor compounds, and improvements made to relevant traditional industrial facilities. Recent biotechnological advances in making Chinese liquor, rice wine, soy sauce, and vinegar are reviewed.

  13. The Nishino Breathing Method and Ki-energy (Life-energy): A Challenge to Traditional Scientific Thinking

    PubMed Central

    Ohnishi, S. Tsuyoshi; Ohnishi, Tomoko

    2006-01-01

    The breathing method, which was developed and is being taught by Kozo Nishino, a Japanese Ki-expert, is for raising the levels of Ki-energy (life-energy or the vitality) of an individual. It is neither a therapy nor a healing technique. However, many of his students have experienced an improvement in their health, and in some cases, they were able to overcome health problems by themselves. Since this is an interesting subject from the standpoint of complementary and alternative medicine (CAM), we have been collaborating with Nishino to conduct a scientific investigation of his Ki-energy. We found that Nishino's Ki-energy can inhibit cell division of cancer cells, protect isolated mitochondria from heat deterioration and reduce lipid peroxidation in heat-treated mitochondria. Although Ki-energy may consist of several different energy forms, we found that at least one of them is near-infrared radiation between the wavelength range of 0.8 and 2.7 m. Another interesting observation at his school is the Taiki-practice (paired Ki-practice). During this practice, Nishino can move his students without any physical contact. Many of them run, jump or roll on the floor when they receive his Ki-energy. We studied this and propose that information is conveyed through the air between two individuals by Ki-energy. This may be called a five sense-independent, life-to-life communication by Ki. All of our results suggest that we should re-evaluate the Cartesian dualism (separation of mind and body) which has been a fundamental principle of modern science for the past three centuries. PMID:16786048

  14. Atomic absorption spectroscopic, conductometric and colorimetric methods for determination of fluoroquinolone antibiotics using ammonium reineckate ion-pair complex formation

    NASA Astrophysics Data System (ADS)

    Ragab, Gamal H.; Amin, Alaa S.

    2004-03-01

    Three accurate, rapid and simple atomic absorption spectrometric, conductometric and colorimetric methods were developed for the determination of norfloxacin (NRF), ciprofloxacin (CIP), ofloxacin (OFL) and enrofloxacin (ENF). The proposed methods depend upon the reaction of ammonium reineckate with the studied drugs to form stable precipitate of ion-pair complexes, which was dissolved in acetone. The pink coloured complexes were determined either by AAS or colorimetrically at ?max 525 nm directly using the dissolved complex. Using conductometric titration, the studied drugs could be evaluated in 50% (v/v) acetone in the range 5.0-65, 4.0-48, 5.0-56 and 6.0-72 ?g ml -1 of NRF, CPF, OFL and ENF, respectively. The optimizations of various experimental conditions were described. The results obtained showed good recoveries of 99.151.15, 99.301.40, 99.601.50, and 99.001.25% with relative standard deviations of 0.81, 1.06, 0.97, and 0.69% for NRF, CPF, OFL, and ENF, respectively. Applications of the proposed methods to representative pharmaceutical formulations are successfully presented.

  15. Study on photophysical and aggregation induced emission recognition of 1,8-naphthalimide probe for casein by spectroscopic method

    NASA Astrophysics Data System (ADS)

    Sun, Yang; Liu, Zhen; Liang, Xuhua; Fan, Jun; Han, Quan

    2013-05-01

    A novel water-soluble 1,8-naphthalimide derivative 1, bearing two acetic carboxylic groups, exhibited fluorescent turn-on recognition for casein based on the aggregation induced emission (AIE) character. The photophysical properties of 1 consisting of donor and acceptor units were investigated in different solutions. The fluorescence intensity decreased through taking advantage of twisted intramolecular charge transfer (TICT) and self-association emission with increasing solvent polarity. Moreover, the spectral red-shift and intensity quench in protic solvents were caused by the excited-state hydrogen bond strengthening effect. Density Functional Theory (DFT) calculations revealed that 1 exhibited a strong TICT character. The AIE mechanism of 1 with casein was due to 1 docked in the hydrophobic cavity between sub-micelles and bound with Tyr and Trp residues, resulting in the aggregation of 1 on the casein surface and emission enhancement. Based on this, a novel casein assay method was developed. The proposed exhibited a good linear range from 0.1 to 22 ?g mL-1, with the detection limit of 2.8 ng mL-1. Satisfactory reproducibility, reversibility and a short response time were realized. This method was applied to the determination of casein in milk powder samples and the results were in good agreement with the result of Biuret method.

  16. Development and Validation of a Stability-indicating UV Spectroscopic Method for Candesartan in Bulk and Formulations.

    PubMed

    Pradhan, K K; Mishra, U S; Pattnaik, S; Panda, C K; Sahu, K C

    2011-11-01

    A simple, specific, accurate and stability-indicating UV- Spectrophotometric method was developed for the estimation of candesartan cilexitil, using a Shimadzu, model 1700 spectrophotometer and a mobile phase composed of methanol: water in the ratio of 9:1 at wave length (?(max)) 254 nm. Linearity was established for candesartan in the range of 10-90 ?g/ml. The percentage recovery of was found to be in the range of 99.76-100.79%. The drug was subjected to acid, alkali and neutral hydrolysis, oxidation, dry heat, UV light and photolytic degradation. Validation experiments performed to demonstrate system suitability, specificity, precision, linearity, accuracy, interday assay, intraday assay, robustness, ruggedness, LOD, and LOQ. While estimating the commercial formulation there was no interference of excipients and other additives. Hence this method can be used for routine determination of candesartan cilexetil in bulk and their pharmaceutical dosage forms. The proposed method for stability study shows that there was appreciable degradation found in stress condition of candesartan. PMID:23112408

  17. Development and Validation of a Stability-indicating UV Spectroscopic Method for Candesartan in Bulk and Formulations

    PubMed Central

    Pradhan, K. K.; Mishra, U. S.; Pattnaik, S.; Panda, C. K.; Sahu, K. C.

    2011-01-01

    A simple, specific, accurate and stability-indicating UV- Spectrophotometric method was developed for the estimation of candesartan cilexitil, using a Shimadzu, model 1700 spectrophotometer and a mobile phase composed of methanol: water in the ratio of 9:1 at wave length (?max) 254 nm. Linearity was established for candesartan in the range of 10-90 ?g/ml. The percentage recovery of was found to be in the range of 99.76-100.79%. The drug was subjected to acid, alkali and neutral hydrolysis, oxidation, dry heat, UV light and photolytic degradation. Validation experiments performed to demonstrate system suitability, specificity, precision, linearity, accuracy, interday assay, intraday assay, robustness, ruggedness, LOD, and LOQ. While estimating the commercial formulation there was no interference of excipients and other additives. Hence this method can be used for routine determination of candesartan cilexetil in bulk and their pharmaceutical dosage forms. The proposed method for stability study shows that there was appreciable degradation found in stress condition of candesartan. PMID:23112408

  18. Development of multidimensional HPLC and atomic spectroscopic methods for the separation and determination of metal compounds in petroleum

    SciTech Connect

    Danna, M.R.

    1986-01-01

    The research presented in this thesis focused on two goals: (1) to develop a direct method for metal determinations in fuels; and (2) to utilize this method in conjunction with a chromatographic separation to produce metal speciation information. A four step approach was taken to achieve these goals. Initially a column chromatographic technique, sequential elution solvent chromatography (SESC), was employed to separate the residual fuel being studied into nine compound class fractions. The question of how the chromatographic behavior of metal-containing compounds compares to that of nonmetal-containing analogs was investigated by subjecting metal-containing complexes to SESC. The fuel fractions were then analyzed by a direct atomic absorption technique, which was developed as the second part of this research. These results were used to produce metal distribution profiles, according to compound class. In the third part of this work, the SESC fractions were further characterized by HPLC techniques. This work included single-column, size-exclusion and normal phase separations. A computer-controlled multidimensional HPLC system, which was developed in this laboratory, was employed to develop methods applicable to this research. An example is the mode-coupling of a size-exclusion column with a reverse-phase column to produce a size polarity matrix. The final step of this project involved the interface of the HPLC to an element-specific detector. This was investigated for both an atomic absorption spectrometer and an inductively-coupled plasma optical emission spectrometer.

  19. Insights into accelerated liposomal release of topotecan in plasma monitored by a non-invasive fluorescence spectroscopic method

    PubMed Central

    Fugit, Kyle D.; Jyoti, Amar; Upreti, Meenakshi; Anderson, Bradley D.

    2014-01-01

    A non-invasive fluorescence method was developed to monitor liposomal release kinetics of the anticancer agent topotecan (TPT) in physiological fluids and subsequently used to explore the cause of accelerated release in plasma. Analyses of fluorescence excitation spectra confirmed that unencapsulated TPT exhibits a red shift in its spectrum as pH is increased. This property was used to monitor TPT release from actively loaded liposomal formulations having a low intravesicular pH. Mathematical release models were developed to extract reliable rate constants for TPT release in aqueous solutions monitored by fluorescence and release kinetics obtained by HPLC. Using the fluorescence method, accelerated TPT release was observed in plasma as previously reported in the literature. Simulations to estimate the intravesicular pH were conducted to demonstrate that accelerated release correlated with alterations in the low intravesicular pH. This was attributed to the presence of ammonia in plasma samples rather than proteins and other plasma components generally believed to alter release kinetics in physiological samples. These findings shed light on the critical role that ammonia may play in contributing to the preclinical/clinical variability and performance seen with actively-loaded liposomal formulations of TPT and other weakly-basic anticancer agents. PMID:25456833

  20. Insights into accelerated liposomal release of topotecan in plasma monitored by a non-invasive fluorescence spectroscopic method.

    PubMed

    Fugit, Kyle D; Jyoti, Amar; Upreti, Meenakshi; Anderson, Bradley D

    2015-01-10

    A non-invasive fluorescence method was developed to monitor liposomal release kinetics of the anticancer agent topotecan (TPT) in physiological fluids and subsequently used to explore the cause of accelerated release in plasma. Analyses of fluorescence excitation spectra confirmed that unencapsulated TPT exhibits a red shift in its spectrum as pH is increased. This property was used to monitor TPT release from actively loaded liposomal formulations having a low intravesicular pH. Mathematical release models were developed to extract reliable rate constants for TPT release in aqueous solutions monitored by fluorescence and release kinetics obtained by HPLC. Using the fluorescence method, accelerated TPT release was observed in plasma as previously reported in the literature. Simulations to estimate the intravesicular pH were conducted to demonstrate that accelerated release correlated with alterations in the low intravesicular pH. This was attributed to the presence of ammonia in plasma samples rather than proteins and other plasma components generally believed to alter release kinetics in physiological samples. These findings shed light on the critical role that ammonia may play in contributing to the preclinical/clinical variability and performance seen with actively-loaded liposomal formulations of TPT and other weakly-basic anticancer agents. PMID:25456833

  1. Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods

    NASA Astrophysics Data System (ADS)

    Ghalla, H.; Issaoui, N.; Govindarajan, M.; Flakus, H. T.; Jamroz, M. H.; Oujia, B.

    2014-02-01

    In the present work, we reported a combined experimental and theoretical study on molecular structure and vibrational spectra of 2-furanacrylic acid (abbreviated as 2FAA). The FT-IR and FT-Raman spectra of 2FAA have been recorded in the regions 4000-400 and 4000-100 cm-1. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The monomer and dimer structures of the title molecule have been obtained from Hartree-Fock (HF) and density functional theory (DFT) B3LYP methods with 6-311++G(d,p) as basis set calculations. The vibrational frequencies were calculated by DFT method and compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. Intermolecular OH⋯O hydrogen bonds are discussed in dimer structure of the molecule. The infrared and Raman spectra were also predicted from the calculated intensities. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. A study on the electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, are performed by time-dependent DFT (TD-DFT) approach. In addition, Milliken atomic charges, possible charge transfer, natural bond orbital (NBO) and AIM topological analysis were performed. Moreover, molecular electrostatic potential (MEP) and the thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase.

  2. Nuclear magnetic resonance, vibrational spectroscopic studies, physico-chemical properties and computational calculations on (nitrophenyl) octahydroquinolindiones by DFT method.

    PubMed

    Pasha, M A; Siddekha, Aisha; Mishra, Soni; Azzam, Sadeq Hamood Saleh; Umapathy, S

    2015-02-01

    In the present study, 2'-nitrophenyloctahydroquinolinedione and its 3'-nitrophenyl isomer were synthesized and characterized by FT-IR, FT-Raman, (1)H NMR and (13)C NMR spectroscopy. The molecular geometry, vibrational frequencies, (1)H and (13)C NMR chemical shift values of the synthesized compounds in the ground state have been calculated by using the density functional theory (DFT) method with the 6-311++G (d,p) basis set and compared with the experimental data. The complete vibrational assignments of wave numbers were made on the basis of potential energy distribution using GAR2PED programme. Isotropic chemical shifts for (1)H and (13)C NMR were calculated using gauge-invariant atomic orbital (GIAO) method. The experimental vibrational frequencies, (1)H and (13)C NMR chemical shift values were found to be in good agreement with the theoretical values. On the basis of vibrational analysis, molecular electrostatic potential and the standard thermodynamic functions have been investigated. PMID:25440584

  3. A mass spectroscopic method for analysis of AHH-inducing and other polychlorinated biphenyl congeners and selected pesticides in fish

    USGS Publications Warehouse

    Schmidt, Larry J.; Hesselberg, Robert J.

    1992-01-01

    The 209 polychlorinated biphenyl (PCB) congeners exhibit a wide range in toxicity to fish, birds, and mammals. This paper discusses the use of gas chromatography/mass spectrometry negative chemical ionization (GC/MS-NCI) to quantify congeners of highly suspected toxicity such as IUPAC #77 (3,3',4,4'-tetrachlorobiphenyl) and #126 (3,3',4,4',5-pentachlorobiphenyl). GC/MS analysis time needed to produce the necessary resolution was reduced to 1 h per sample or standard, allowing an autosampler to inject 12 samples in 24 hours, plus 12 standards/QC samples. Identification and quantification of some 60+ congeners and several selected pesticides and estimation of total PCBs are also possible within the 1 h analysis. For congeners of high chlorination (penta through octa), the method exhibited excellent sensitivity, such that we could not locate a fish which exhibited PCB levels below our calibrated quantitation range. NCI was not as sensitive for mono through tri and for some tetrachlorinated PCB congeners, an exception being PCB #77, for which sensitivity was of the same order as for the more highly chlorinated biphenyls. Long term stability was excellent. Over a 6-mo period, results of replicate analyses for PCB congeners and pesticides in a composited sample of lake trout (Salvelinus namaycush) from Lake Michigan had a relative standard deviation of 12% of the mean. Over the same time period, mean recoveries for samples spiked at concentrations similar to those in Lake Michigan lake trout were 90-102%. Response was linear over a wide range of concentrations for each of the analyzed compounds. This method is now being used for routine analysis of PCB congeners and selected pesticides in our laboratory.

  4. Comparison of a Waveform Cross Correlation Detection Method to a Traditional STA/LTA Picker: Application to the Crooked Lake Sequence Near Fox Creek, Alberta

    NASA Astrophysics Data System (ADS)

    Greig, D. W.; Spriggs, N.

    2014-12-01

    Waveform cross correlation, or template matching as it is sometimes called, has long been known to be an effective method for finding occurrences of a known repeating signal within a waveform. Because seismic signals are rarely known a priori, waveform cross correlation is not often used as a detection method for seismic networks. However, past studies (e.g. Gibbons and Ringdal, 2006) have shown that cross correlation can be effective in identifying events with similar locations and focal mechanisms (and thus waveforms) to a pre-existing template. Because induced seismicity often satisfies these requirements the method is well-suited to induced seismicity monitoring. We apply the method of waveform cross correlation to a sequence of events between Nov. 29, 2013 and Dec. 13, 2013 occurring at Crooked Lake near Fox Creek, Alberta. These events are believed to be attributable to injection activities in the area. A total of 24 events were detected using traditional STA/LTA triggering methods. The largest event, measured at local magnitude 3.9, is used as a template to identify other events. We compare the effectiveness of the traditional STA/LTA detection method to the cross correlation technique. With a modest correlation threshold we identify all 24 of the original events and an additional 89 new events for a total of 113 events identified by waveform cross correlation. We estimate the magnitude of completeness using the maximum curvature method (Wiemer and Wyss, 2000) and compare the result for the STA/LTA catalogue and the cross correlation catalogue. We find that the magnitude of completeness is about 0.8 magnitude units lower for the cross correlation catalogue. We explore the possibility of determining a probability density function to describe the values of observed correlation between a template and a seismic signal and reconcile theoretical expectations with empirical data. We further suggest a trigger threshold for cross correlation detection algorithms based on the probability density function. Finally, we discuss the practicality of implementing waveform cross correlation detection methods to monitor induced seismicity.

  5. Investigation of a staphylococcal food poisoning outbreak combining case-control, traditional typing and whole genome sequencing methods, Luxembourg, June 2014.

    PubMed

    Mossong, Joël; Decruyenaere, Frédéric; Moris, Gilbert; Ragimbeau, Catherine; Olinger, Christophe M; Johler, Sophia; Perrin, Monique; Hau, Patrick; Weicherding, Pierre

    2015-11-12

    In June 2014, a staphylococcal food poisoning outbreak occurred at an international equine sports event in Luxembourg requiring the hospitalisation of 31 persons. We conducted a microbiological investigation of patients and buffet items, a case-control study and a carriage study of catering staff. Isolates of Staphylococcus aureus from patients, food and catering staff were characterised and compared using traditional typing methods and whole genome sequencing. Genotypically identical strains (sequence type ST8, spa-type t024, MLVA-type 4698, enterotoxin A FRI100) were isolated in 10 patients, shiitake mushrooms, cured ham, and in three members of staff. The case-control study strongly suggested pasta salad with pesto as the vehicle of infection (p<0.001), but this food item could not be tested, because there were no leftovers. Additional enterotoxigenic strains genetically unrelated to the outbreak strain were found in four members of staff. Non-enterotoxigenic strains with livestock-associated sequence type ST398 were isolated from three food items and two members of staff. The main cause of the outbreak is likely to have been not maintaining the cold chain after food preparation. Whole genome sequencing resulted in phylogenetic clustering which concurred with traditional typing while simultaneously characterising virulence and resistance traits. PMID:26608881

  6. Spectroscopic investigations on the photodegradation of toluidine blue dye using cadmium sulphide nanoparticles prepared by a novel method

    NASA Astrophysics Data System (ADS)

    Neelakandeswari, N.; Sangami, G.; Dharmaraj, N.; Taek, Nam Ki; Kim, Hak Yong

    2011-05-01

    A novel method to prepare cadmium sulphide nanoparticles (CdS NPs) possessing nearly uniform size was adopted using eggshell membrane (ESM), under different pH conditions. Significant yield of CdS NPs with smallest possible size was obtained by increasing the pH of the reaction medium from acidic to alkaline. The above prepared CdS NPs have been characterized by UV-vis absorption as well as emission spectra, powder X-ray diffraction, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The efficiency of the above prepared CdS NPs as a catalyst for the photodegradation of toluidine blue (TB) dye, as a function of pH as well as the ratio between the catalyst and the substrate was studied after irradiation with UV light. The results showed that an efficient interaction took place between the catalyst and the substrate to cause degradation of the selected dye. A maximum degradation of toluidine blue dye (90%) was observed at pH 8 which is higher than that of the efficiencies at pH 4 and pH 6.

  7. Structural and vibrational spectroscopic analysis of anticancer drug mitotane using DFT method; a comparative study of its parent structure

    NASA Astrophysics Data System (ADS)

    Mariappan, G.; Sundaraganesan, N.

    2015-04-01

    A comprehensive screening of the density functional theoretical approach to structural analysis is presented in this section. DFT calculations using B3LYP/6-311++G(d,p) level of theory were found to yield results that are very comparable to experimental IR and Raman spectra. Computed geometrical parameters and harmonic vibrational wavenumbers of the fundamentals were found in satisfactory agreement with the experimental data and also its parent structure. The vibrational assignments of the normal modes were performed on the basis of the potential energy distribution (PED) calculations. It can be proven from the comparative results of mitotane and its parent structure Dichlorodiphenyldichloroethane (DDD), the intramolecular nonbonding interaction between (C1sbnd H19⋯Cl18) in the ortho position which is calculated 2.583 and the position of the substitution takeover the vibrational wavenumber to redshift of 47 cm-1. In addition, natural bond orbital (NBO) analysis has been performed for analyzing charge delocalization throughout the molecule. Stability of the molecule arising from hyperconjugative interactions leading to its bioactivity and charge delocalization has been analyzed. 13C and 1H nuclear magnetic resonance chemical shifts of the molecule have been calculated using the gauge independent atomic orbital (GIAO) method and compared with published results.

  8. Combining microscopy with spectroscopic and chemical methods for tracing the origin of atmospheric fallouts from mining sites.

    PubMed

    Navel, Aline; Uzu, Gaëlle; Spadini, Lorenzo; Sobanska, Sophie; Martins, Jean M F

    2015-12-30

    Populations living close to mining sites are often exposed to important heavy metal concentrations, especially through atmospheric fallouts. Identifying the main sources of metal-rich particles remains a challenge because of the similarity of the particle signatures from the polluted sites. This work provides an original combination of physical and chemical methods to determine the main sources of airborne particles impacting inhabited zones. Raman microspectrometry (RMS), X-ray diffraction (DRX), morphology analyses by microscopy and chemical composition were assessed. Geochemical analysis allowed the identification of target and source areas; XRD and RMS analysis identified the main mineral phases in association with their metal content and speciation. The characterization of the dominant minerals was combined with particle morphology analysis to identify fallout sources. The complete description of dust morphologies permitted the successful determination of a fingerprint of each source site. The analysis of these chemical and morphological fingerprints allowed identification of the mine area as the main contributor of metal-rich particles impacting the inhabited zone. In addition to the identification of the main sources of airborne particles, this study will also permit to better define the extent of polluted zones requiring remediation or protection from eolian erosion inducing metal-rich atmospheric fallouts. PMID:26253233

  9. Investigation of trypsin-CdSe quantum dot interactions via spectroscopic methods and effects on enzymatic activity.

    PubMed

    Kaur, Gurvir; Tripathi, S K

    2015-01-01

    The paper presents the interactions between trypsin and water soluble cadmium selenide (CdSe) quantum dots investigated by spectrophotometric methods. CdSe quantum dots have strong ability to quench the intrinsic fluorescence of trypsin by a static quenching mechanism. The quenching has been studied at three different temperatures where the results revealed that electrostatic interactions exist between CdSe quantum dots and trypsin and are responsible to stabilize the complex. The Scatchard plot from quenching revealed 1 binding site for quantum dots by trypsin, the same has been confirmed by making isothermal titrations of quantum dots against trypsin. The distance between donor and acceptor for trypsin-CdSe quantum dot complexes is calculated to be 2.8 nm by energy transfer mechanisms. The intrinsic fluorescence of CdSe quantum dots has also been enhanced by the trypsin, and is linear for concentration of trypsin ranging 1-80 ?l. All the observations evidence the formation of trypsin-CdSe quantum dot conjugates, where trypsin retains the enzymatic activity which in turn is temperature and pH dependent. PMID:25011044

  10. Investigation of trypsin-CdSe quantum dot interactions via spectroscopic methods and effects on enzymatic activity

    NASA Astrophysics Data System (ADS)

    Kaur, Gurvir; Tripathi, S. K.

    2015-01-01

    The paper presents the interactions between trypsin and water soluble cadmium selenide (CdSe) quantum dots investigated by spectrophotometric methods. CdSe quantum dots have strong ability to quench the intrinsic fluorescence of trypsin by a static quenching mechanism. The quenching has been studied at three different temperatures where the results revealed that electrostatic interactions exist between CdSe quantum dots and trypsin and are responsible to stabilize the complex. The Scatchard plot from quenching revealed 1 binding site for quantum dots by trypsin, the same has been confirmed by making isothermal titrations of quantum dots against trypsin. The distance between donor and acceptor for trypsin-CdSe quantum dot complexes is calculated to be 2.8 nm by energy transfer mechanisms. The intrinsic fluorescence of CdSe quantum dots has also been enhanced by the trypsin, and is linear for concentration of trypsin ranging 1-80 μl. All the observations evidence the formation of trypsin-CdSe quantum dot conjugates, where trypsin retains the enzymatic activity which in turn is temperature and pH dependent.

  11. Chiral selectors for enantioresolution and quantitation of the antidepressant drug fluoxetine in pharmaceutical formulations by (19)F NMR spectroscopic method.

    PubMed

    Shamsipur, Mojtaba; Dastjerdi, Leila Shafiee; Haghgoo, Soheila; Armspach, Dominique; Matt, Dominique; Aboul-Enein, Hassan Y

    2007-10-01

    (19)F NMR spectroscopy was applied to the quantitative determination of fluoxetine enantiomers using different chiral recognition agents in pharmaceutical formulations. Several parameters affecting the enantioresolution including the type and concentration of chiral selector, concentration of fluoxetine and temperature were studied. The chiral selectors investigated are the cyclic oligosaccharides alpha-, beta- and gamma-cyclodextrin and a diamino derivative of methylated alpha-cyclodextrin (DAM-alpha-CD), linear polysaccharides (maltodextrin with dextrose equivalents of 4.0-7.0, 13.0-17.0 and 16.5-19.5) and the macrocyclic antibiotic vancomycin. Among the chiral selectors used, DAM-alpha-CD turned out to give the best resolution of the (19)F NMR signals of (R)- and (S)-fluoxetine. The calibration curve was linear for (R)- and (S)-fluoxetine over the range 0.10-1.35 mgmL(-1), the detection limits (S/N=3) being 5.9 and 7.5 microgmL(-1) for the pure solutions of (R)- and (S)-fluoxetine, respectively. The recovery studies performed on pharmaceutical samples ranged from about 90 to 110% with relative standard deviations of <8%. The results showed that the proposed method is rapid, precise and accurate. Applying statistical Student's t-test revealed insignificant difference between the real and measured contents at the 95% confidence level. PMID:17904479

  12. Correlation mapping: rapid method for identification of histological features and pathological classification in mid infrared spectroscopic images of lymph nodes

    NASA Astrophysics Data System (ADS)

    Isabelle, Martin; Rogers, Keith; Stone, Nicholas

    2010-03-01

    In this work, a novel technique for rapid image analysis of Fourier transform infrared (FTIR) data obtained from human lymph nodes is explored. It uses the mathematical principle of orthogonality as a method to quickly and efficiently obtain tissue and pathology information from a spectral image cube. It requires less computational power and time compared to most forms of cluster analysis. The values obtained from different tissue and pathology types allows for discrimination of noncancerous from cancerous lymph nodes. It involves the calculation of the dot product between reference spectra and individual spectra from across the tissue image. These provide a measure of the correlation between individual spectra and the reference spectra, and each spectrum or pixel in the image is given a color representing the reference most closely correlating with it. The correlation maps are validated with the tissue and pathology features identified by an expert pathologist from corresponding hematoxylin and eosin stained tissue sections. Although this novel technique requires further study to properly test and validate this tool, with inclusion of more lymph node hyperspectral datasets (containing a greater variety of tissue states), it demonstrates significant clinical potential for pathology diagnosis.

  13. Evaluation of the Bitterness of Traditional Chinese Medicines using an E-Tongue Coupled with a Robust Partial Least Squares Regression Method.

    PubMed

    Lin, Zhaozhou; Zhang, Qiao; Liu, Ruixin; Gao, Xiaojie; Zhang, Lu; Kang, Bingya; Shi, Junhan; Wu, Zidan; Gui, Xinjing; Li, Xuelin

    2016-01-01

    To accurately, safely, and efficiently evaluate the bitterness of Traditional Chinese Medicines (TCMs), a robust predictor was developed using robust partial least squares (RPLS) regression method based on data obtained from an electronic tongue (e-tongue) system. The data quality was verified by the Grubb's test. Moreover, potential outliers were detected based on both the standardized residual and score distance calculated for each sample. The performance of RPLS on the dataset before and after outlier detection was compared to other state-of-the-art methods including multivariate linear regression, least squares support vector machine, and the plain partial least squares regression. Both R² and root-mean-squares error (RMSE) of cross-validation (CV) were recorded for each model. With four latent variables, a robust RMSECV value of 0.3916 with bitterness values ranging from 0.63 to 4.78 were obtained for the RPLS model that was constructed based on the dataset including outliers. Meanwhile, the RMSECV, which was calculated using the models constructed by other methods, was larger than that of the RPLS model. After six outliers were excluded, the performance of all benchmark methods markedly improved, but the difference between the RPLS model constructed before and after outlier exclusion was negligible. In conclusion, the bitterness of TCM decoctions can be accurately evaluated with the RPLS model constructed using e-tongue data. PMID:26821026

  14. Evaluation of the Bitterness of Traditional Chinese Medicines using an E-Tongue Coupled with a Robust Partial Least Squares Regression Method

    PubMed Central

    Lin, Zhaozhou; Zhang, Qiao; Liu, Ruixin; Gao, Xiaojie; Zhang, Lu; Kang, Bingya; Shi, Junhan; Wu, Zidan; Gui, Xinjing; Li, Xuelin

    2016-01-01

    To accurately, safely, and efficiently evaluate the bitterness of Traditional Chinese Medicines (TCMs), a robust predictor was developed using robust partial least squares (RPLS) regression method based on data obtained from an electronic tongue (e-tongue) system. The data quality was verified by the Grubb’s test. Moreover, potential outliers were detected based on both the standardized residual and score distance calculated for each sample. The performance of RPLS on the dataset before and after outlier detection was compared to other state-of-the-art methods including multivariate linear regression, least squares support vector machine, and the plain partial least squares regression. Both R2 and root-mean-squares error (RMSE) of cross-validation (CV) were recorded for each model. With four latent variables, a robust RMSECV value of 0.3916 with bitterness values ranging from 0.63 to 4.78 were obtained for the RPLS model that was constructed based on the dataset including outliers. Meanwhile, the RMSECV, which was calculated using the models constructed by other methods, was larger than that of the RPLS model. After six outliers were excluded, the performance of all benchmark methods markedly improved, but the difference between the RPLS model constructed before and after outlier exclusion was negligible. In conclusion, the bitterness of TCM decoctions can be accurately evaluated with the RPLS model constructed using e-tongue data. PMID:26821026

  15. Are traditional methods of determining nest predators and nest fates reliable? An experiment with Wood Thrushes (Hylocichla mustelina) using miniature video cameras

    USGS Publications Warehouse

    Williams, Gary E.; Wood, P.B.

    2002-01-01

    We used miniature infrared video cameras to monitor Wood Thrush (Hylocichla mustelina) nests during 1998-2000. We documented nest predators and examined whether evidence at nests can be used to predict predator identities and nest fates. Fifty-six nests were monitored; 26 failed, with 3 abandoned and 23 depredated. We predicted predator class (avian, mammalian, snake) prior to review of video footage and were incorrect 57% of the time. Birds and mammals were underrepresented whereas snakes were over-represented in our predictions. We documented ???9 nest-predator species, with the southern flying squirrel (Glaucomys volans) taking the most nests (n = 8). During 2000, we predicted fate (fledge or fail) of 27 nests; 23 were classified correctly. Traditional methods of monitoring nests appear to be effective for classifying success or failure of nests, but ineffective at classifying nest predators.

  16. Alternative to traditional stretching methods for flexibility enhancement in well-trained combat athletes: local vibration versus whole-body vibration.

    PubMed

    Kurt, C

    2015-09-01

    This study aimed to compare the effect of local vibration (LV) and whole body vibration (WBV) on lower body flexibility and to assess whether vibration treatments were more effective than traditionally used static and dynamic stretching methods. Twenty-four well-trained male combat athletes (age: 22.7 ± 3.3 years) performed four exercise protocols - LV (30 Hz, 4 mm), WBV (30 Hz, 4 mm), static stretching (SS), and dynamic stretching (DS) - in four sessions of equal duration 48 hours apart in a randomized, balanced order. During a 15-minute recovery after each protocol, subjects performed the stand and reach test (S&R) at the 15th second and the 2(nd), 4(th), 6(th), 8(th), 10(th) and 15(th) minute. There was a similar change pattern in S&R scores across the 15-minute recovery after each protocol (p = 0.572), remaining significantly elevated throughout the recovery. A significant main protocol effect was found for absolute change in S&R scores relative to baseline (p = 0.015). These changes were statistically greater in LV than WBV and DS. Changes in SS were not significantly different from LV, but were consistently lower than LV with almost moderate effect sizes. After LV, a greater percentage of subjects increased flexibility above the minimum detectable change compared to other protocols. Subjects with high flexibility (n = 12) benefited more from LV compared with other methods (effect size ≥ 0.862). In conclusion, LV was an effective alternative exercise modality to acutely increase lower extremity flexibility for well-trained athletes compared with WBV and traditional stretching exercises. PMID:26424926

  17. Alternative to traditional stretching methods for flexibility enhancement in well-trained combat athletes: local vibration versus whole-body vibration

    PubMed Central

    2015-01-01

    This study aimed to compare the effect of local vibration (LV) and whole body vibration (WBV) on lower body flexibility and to assess whether vibration treatments were more effective than traditionally used static and dynamic stretching methods. Twenty-four well-trained male combat athletes (age: 22.7 ± 3.3 years) performed four exercise protocols – LV (30 Hz, 4 mm), WBV (30 Hz, 4 mm), static stretching (SS), and dynamic stretching (DS) – in four sessions of equal duration 48 hours apart in a randomized, balanced order. During a 15-minute recovery after each protocol, subjects performed the stand and reach test (S&R) at the 15th second and the 2nd, 4th, 6th, 8th, 10th and 15th minute. There was a similar change pattern in S&R scores across the 15-minute recovery after each protocol (p = 0.572), remaining significantly elevated throughout the recovery. A significant main protocol effect was found for absolute change in S&R scores relative to baseline (p = 0.015). These changes were statistically greater in LV than WBV and DS. Changes in SS were not significantly different from LV, but were consistently lower than LV with almost moderate effect sizes. After LV, a greater percentage of subjects increased flexibility above the minimum detectable change compared to other protocols. Subjects with high flexibility (n = 12) benefited more from LV compared with other methods (effect size ≥ 0.862). In conclusion, LV was an effective alternative exercise modality to acutely increase lower extremity flexibility for well-trained athletes compared with WBV and traditional stretching exercises. PMID:26424926

  18. Quality of life, coping strategies and support needs of women seeking Traditional Chinese Medicine for infertility and viable pregnancy in Australia: a mixed methods approach

    PubMed Central

    2013-01-01

    Background Infertility affects about 15% of couples in Western-societies with most progressing to fertility clinics for treatment. Despite being common, infertility is often experienced as a lonely road for affected couples. In this paper we expand on our previously published findings of women’s experiences with infertility or difficulty of viable pregnancy who had sought Traditional Chinese Medicine (TCM) therapy in Australia, and focus on women’s quality of life, coping strategies, and support needs. Methods We applied mixed methods using the Tuebingen Quality of Life and the COPE questionnaires and in-depth interviews with 25 women with primary or secondary infertility, recurrent miscarriages or unexplained stillbirth, and who had consulted a TCM practitioner. We used a thematic approach to analyse the interviews, and descriptive statistics to evaluate questionnaire responses. Results Women reported through both questionnaires and interviews compromised quality of life due to the high level of distress, guilt, grief, and frustration caused by infertility. However, our women represented a highly motivated sample, actively seeking alternative support. While the TCM approach to infertility management increased women’s sense of personal agency and control through education and continuity of care, the need for greater understanding and support on a societal level remains. Conclusions In infertility, ongoing emotional and instrumental support is pivotal to the wellbeing and quality of life of the affected. Traditional Chinese Medicine addresses some support needs in infertility not routinely available in the Western model of care. More peer-led and professional-led support groups are greatly needed for women experiencing infertility to help break isolation and raise awareness of integrative approaches to fertility management. PMID:23570255

  19. Land use/cover classification of small areas by conventional digital camcorder imagery: A comparative performance of traditional and advanced methods

    NASA Astrophysics Data System (ADS)

    Sim, C. K.; Lim, H. S.; Mat Jafri, M. Z.; Abdullah, K.

    2013-05-01

    This study aims to investigate the performance of digital camcorder datasets for land cover classification. The chosen study area was the Universiti Sains Malaysia campus in Penang, Peninsular Malaysia. We encountered difficulties in obtaining cloud-free scenes because Malaysia is an equatorial region. This problem can be overcome by using airborne images. Digital images were taken from a low-altitude light aircraft (Cessna 172Q) at an average altitude of 2.44 km above sea level. The color image was separated into three bands (i.e., red, green, and blue) for multispectral analysis. We compared the performance of traditional methods (i.e., minimum distance and maximum likelihood) and advanced methods (i.e., frequency-based contextual and neural network (NN) techniques). The classified land cover map was geometrically corrected to provide a geocode map. This study presents preliminary findings vis--vis the potential application of an ordinary digital camcorder in local urban studies. The NN classifier produced the best result among the tested methods. A high degree of accuracy was achieved by the NN technique.

  20. Challenging tradition in Nigeria.

    PubMed

    Supriya, K E

    1991-01-01

    In Nigeria since 1987, the National Association of Nigeria Nurses and Midwives (NSNNM) has used traditional medial and traditional health care workers to curtail the practice of female circumcision. Other harmful traditions are being changed also, such as early marriage, taboos of pregnancy and childbirth, and scarification. 30,000 member of NANNM are involved in this effort to halt the harmful practices themselves and to change community opinion. The program involved national and state level workshops on harmful health consequences of traditional practices and instruction on how to conduct focus group discussions to assess women's beliefs and practices. The focus groups were found to be a particularly successful method of opening up discussion of taboo topics and expressing deep emotions. The response to the knowledge that circumcision was not necessary was rage and anger, which was channeled into advocacy roles or change in the practice. The result was the channeled into advocacy roles for change in the practice. The result was the development of books, leaflets and videos. One community group designed a dress with a decorative motif of tatoos and bodily cuts to symbolize circumcision and scarring. Plays and songs were written and performed. Artists provided models of female genitalia both before and after circumcision. The campaign has been successful in bringing this issue to the public attention in prominent ways, such a national television, health talk shows, and women;s magazines. One of the most important results of the effort has been the demonstration that culture and tradition can be changed from within, rather than from outside imposition of values and beliefs. PMID:12284522

  1. Science-Technology-Society literacy in college non-majors biology: Comparing problem/case studies based learning and traditional expository methods of instruction

    NASA Astrophysics Data System (ADS)

    Peters, John S.

    This study used a multiple response model (MRM) on selected items from the Views on Science-Technology-Society (VOSTS) survey to examine science-technology-society (STS) literacy among college non-science majors' taught using Problem/Case Studies Based Learning (PBL/CSBL) and traditional expository methods of instruction. An initial pilot investigation of 15 VOSTS items produced a valid and reliable scoring model which can be used to quantitatively assess student literacy on a variety of STS topics deemed important for informed civic engagement in science related social and environmental issues. The new scoring model allows for the use of parametric inferential statistics to test hypotheses about factors influencing STS literacy. The follow-up cross-institutional study comparing teaching methods employed Hierarchical Linear Modeling (HLM) to model the efficiency and equitability of instructional methods on STS literacy. A cluster analysis was also used to compare pre and post course patterns of student views on the set of positions expressed within VOSTS items. HLM analysis revealed significantly higher instructional efficiency in the PBL/CSBL study group for 4 of the 35 STS attitude indices (characterization of media vs. school science; tentativeness of scientific models; cultural influences on scientific research), and more equitable effects of traditional instruction on one attitude index (interdependence of science and technology). Cluster analysis revealed generally stable patterns of pre to post course views across study groups, but also revealed possible teaching method effects on the relationship between the views expressed within VOSTS items with respect to (1) interdependency of science and technology; (2) anti-technology; (3) socioscientific decision-making; (4) scientific/technological solutions to environmental problems; (5) usefulness of school vs. media characterizations of science; (6) social constructivist vs. objectivist views of theories; (7) impact of cultural religious/ethical views on science; (8) tentativeness of scientific models, evidence and predictions; (9) civic control of technological developments. This analysis also revealed common relationships between student views which would not have been revealed under the original unique response model (URM) of VOSTS and also common viewpoint patterns that warrant further qualitative exploration.

  2. Development and validation of a laser-induced breakdown spectroscopic method for ultra-trace determination of Cu, Mn, Cd and Pb metals in aqueous droplets after drying.

    PubMed

    Aras, Nadir; Yalçın, Şerife

    2016-03-01

    The present study reports a fast and accurate methodology for laser-induced breakdown spectroscopic, LIBS, analysis of aqueous samples for environmental monitoring purposes. This methodology has two important attributes: one is the use of a 300nm oxide coated silicon wafer substrate (Si+SiO2) for the first time for manual injection of 0.5 microliter aqueous metal solutions, and two is the use of high energy laser pulses focused outside the minimum focus position of a plano convex lens at which relatively large laser beam spot covers the entire droplet area for plasma formation. Optimization of instrumental LIBS parameters like detector delay time, gate width and laser energy has been performed to maximize atomic emission signal of target analytes; Cu, Mn, Cd and Pb. Under the optimal conditions, calibration curves were constructed and enhancements in the LIBS emission signal were obtained compared to the results of similar studies given in the literature. The analytical capability of the LIBS technique in liquid analysis has been improved. Absolute detection limits of 1.3pg Cu, 3.3pg Mn, 79pg Cd and 48pg Pb in 0.5 microliter volume of droplets were obtained from single shot analysis of five sequential droplets. The applicability of the proposed methodology to real water samples was tested on the Certified Reference Material, Trace Metals in Drinking Water, CRM-TMDW and on ICP multi-element standard samples. The accuracy of the method was found at a level of minimum 92% with relative standard deviations of at most 20%. Results suggest that 300nm oxide coated silicon wafer has an excellent potential to be used as a substrate for direct analysis of contaminants in water supplies by LIBS and further research, development and engineering will increase the performance and applicability of the methodology. PMID:26717813

  3. A dynamic multiple reaction monitoring method for the multiple components quantification of complex traditional Chinese medicine preparations: Niuhuang Shangqing pill as an example.

    PubMed

    Liang, Jian; Wu, Wan-ying; Sun, Guo-xiang; Wang, Dan-dan; Hou, Jin-jun; Yang, Wen-zhi; Jiang, Bao-hong; Liu, Xuan; Guo, De-an

    2013-06-14

    It is a challenging task to simultaneously and quantitatively analyze multiple components in DFF [Da-Fu-Fang, namely, complex traditional Chinese medicine (TCM) preparations containing more than ten TCMs] due to their numerous and extreme complex chemical compositions possessing a wide variety of chemical and physical features, and their very low content. Rather than using a conventional mass spectrometry (MS) method with multiple reaction monitoring (MRM), in the current study, this challenge was addressed by using dynamic multiple reaction monitoring (DMRM). Using a DFF, Niuhuang Shangqing pill, which is composed of 19 TCMs, as a model, a rapid (one run in 20min), sensitive [lower limit of detection (LOD) and limit of quantitation (LOQ) were achieved comparable with MRM] and accessible (a standard HPLC/MS/MS instrumentation was employed) MS method was successfully developed for the simultaneous quantification of 41 bioactive components which represented 15 of the 19 medicinal plants. A comparison of LOD and LOQ using MRM and DMRM was made to quantitatively reveal that the latter demonstrated advantages over the former. Meanwhile, a standard operating procedure concerning the development of a new DMRM method was recommended. The MS data were obtained in the positive ion mode with electrospray ionization as the ion source, acetonitrile and water as mobile phase and a Kinetex C18 core-shell column (100mm2.10mm, 2.6?m, Phenomenex Inc.) as the analytical column. This method was then applied to 32 batches of samples. It transpired, through principal component analysis and orthogonal partial least squares discriminant analysis, that the consistency of the products was relatively good within one company, but poor among different companies among the 32 samples; one failed to qualify in terms of the Chinese Pharmacopeia. This work illustrated that the proposed DMRM method was particularly suitable for quantifying the trace components in DFF and capable of ensuring the quality of DFF. PMID:23647610

  4. A Non-Biological Method for Screening Active Components against Influenza Virus from Traditional Chinese Medicine by Coupling a LC Column with Oseltamivir Molecularly Imprinted Polymers

    PubMed Central

    Yang, Ya-Jun; Li, Jian-Yong; Liu, Xi-Wang; Zhang, Ji-Yu; Liu, Yu-Rong; Li, Bing

    2013-01-01

    To develop a non-biological method for screening active components against influenza virus from traditional Chinese medicine (TCM) extraction, a liquid chromatography (LC) column prepared with oseltamivir molecularly imprinted polymer (OSMIP) was employed with LC-mass spectrometry (LC-MS). From chloroform extracts of compound TCM liquid preparation, we observed an affinitive component m/z 249, which was identified to be matrine following analysis of phytochemical literatures, OSMIP-LC column on-line of control compounds and MS/MS off-line. The results showed that matrine had similar bioactivities with OS against avian influenza virus H9N2 in vitro for both alleviating cytopathic effect and hemagglutination inhibition and that the stereostructures of these two compounds are similar while their two-dimensional structures were different. In addition, our results suggested that the bioactivities of those affinitive compounds were correlated with their chromatographic behaviors, in which less difference of the chromatographic behaviors might have more similar bioactivities. This indicates that matrine is a potential candidate drug to prevent or cure influenza for human or animal. In conclusion, the present study showed that molecularly imprinted polymers can be used as a non-biological method for screening active components against influenza virus from TCM. PMID:24386385

  5. Polyphasic study of the spatial distribution of microorganisms in Mexican pozol, a fermented maize dough, demonstrates the need for cultivation-independent methods to investigate traditional fermentations.

    PubMed

    Ampe, F; ben Omar, N; Moizan, C; Wacher, C; Guyot, J P

    1999-12-01

    The distribution of microorganisms in pozol balls, a fermented maize dough, was investigated by a polyphasic approach in which we used both culture-dependent and culture-independent methods, including microbial enumeration, fermentation product analysis, quantification of microbial taxa with 16S rRNA-targeted oligonucleotide probes, determination of microbial fingerprints by denaturing gradient gel electrophoresis (DGGE), and 16S ribosomal DNA gene sequencing. Our results demonstrate that DGGE fingerprinting and rRNA quantification should allow workers to precisely and rapidly characterize the microbial assemblage in a spontaneous lactic acid fermented food. Lactic acid bacteria (LAB) accounted for 90 to 97% of the total active microflora; no streptococci were isolated, although members of the genus Streptococcus accounted for 25 to 50% of the microflora. Lactobacillus plantarum and Lactobacillus fermentum, together with members of the genera Leuconostoc and Weissella, were the other dominant organisms. The overall activity was more important at the periphery of a ball, where eucaryotes, enterobacteria, and bacterial exopolysacharide producers developed. Our results also showed that the metabolism of heterofermentative LAB was influenced in situ by the distribution of the LAB in the pozol ball, whereas homolactic fermentation was controlled primarily by sugar limitation. We propose that starch is first degraded by amylases from LAB and that the resulting sugars, together with the lactate produced, allow a secondary flora to develop in the presence of oxygen. Our results strongly suggest that cultivation-independent methods should be used to study traditional fermented foods. PMID:10584005

  6. Polyphasic Study of the Spatial Distribution of Microorganisms in Mexican Pozol, a Fermented Maize Dough, Demonstrates the Need for Cultivation-Independent Methods To Investigate Traditional Fermentations

    PubMed Central

    Ampe, Frédéric; ben Omar, Nabil; Moizan, Claire; Wacher, Carmen; Guyot, Jean-Pierre

    1999-01-01

    The distribution of microorganisms in pozol balls, a fermented maize dough, was investigated by a polyphasic approach in which we used both culture-dependent and culture-independent methods, including microbial enumeration, fermentation product analysis, quantification of microbial taxa with 16S rRNA-targeted oligonucleotide probes, determination of microbial fingerprints by denaturing gradient gel electrophoresis (DGGE), and 16S ribosomal DNA gene sequencing. Our results demonstrate that DGGE fingerprinting and rRNA quantification should allow workers to precisely and rapidly characterize the microbial assemblage in a spontaneous lactic acid fermented food. Lactic acid bacteria (LAB) accounted for 90 to 97% of the total active microflora; no streptococci were isolated, although members of the genus Streptococcus accounted for 25 to 50% of the microflora. Lactobacillus plantarum and Lactobacillus fermentum, together with members of the genera Leuconostoc and Weissella, were the other dominant organisms. The overall activity was more important at the periphery of a ball, where eucaryotes, enterobacteria, and bacterial exopolysacharide producers developed. Our results also showed that the metabolism of heterofermentative LAB was influenced in situ by the distribution of the LAB in the pozol ball, whereas homolactic fermentation was controlled primarily by sugar limitation. We propose that starch is first degraded by amylases from LAB and that the resulting sugars, together with the lactate produced, allow a secondary flora to develop in the presence of oxygen. Our results strongly suggest that cultivation-independent methods should be used to study traditional fermented foods. PMID:10584005

  7. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: Application to H2O, N2H+, NO2+, and C2H2

    NASA Astrophysics Data System (ADS)

    Huang, Xinchuan; Valeev, Edward F.; Lee, Timothy J.

    2010-12-01

    One-particle basis set extrapolation is compared with one of the new R12 methods for computing highly accurate quartic force fields (QFFs) and spectroscopic data, including molecular structures, rotational constants, and vibrational frequencies for the H2O, N2H+, NO2+, and C2H2 molecules. In general, agreement between the spectroscopic data computed from the best R12 and basis set extrapolation methods is very good with the exception of a few parameters for N2H+ where it is concluded that basis set extrapolation is still preferred. The differences for H2O and NO2+ are small and it is concluded that the QFFs from both approaches are more or less equivalent in accuracy. For C2H2, however, a known one-particle basis set deficiency for C-C multiple bonds significantly degrades the quality of results obtained from basis set extrapolation and in this case the R12 approach is clearly preferred over one-particle basis set extrapolation. The R12 approach used in the present study was modified in order to obtain high precision electronic energies, which are needed when computing a QFF. We also investigated including core-correlation explicitly in the R12 calculations, but conclude that current approaches are lacking. Hence core-correlation is computed as a correction using conventional methods. Considering the results for all four molecules, it is concluded that R12 methods will soon replace basis set extrapolation approaches for high accuracy electronic structure applications such as computing QFFs and spectroscopic data for comparison to high-resolution laboratory or astronomical observations, provided one uses a robust R12 method as we have done here. The specific R12 method used in the present study, CCSD(T)R12, incorporated a reformulation of one intermediate matrix in order to attain machine precision in the electronic energies. Final QFFs for N2H+ and NO2+ were computed, including basis set extrapolation, core-correlation, scalar relativity, and higher-order correlation and then used to compute highly accurate spectroscopic data for all isotopologues. Agreement with high-resolution experiment for 14N2H+ and 14N2D+ was excellent, but for 14N16O2+ agreement for the two stretching fundamentals is outside the expected residual uncertainty in the theoretical values, and it is concluded that there is an error in the experimental quantities. It is hoped that the highly accurate spectroscopic data presented for the minor isotopologues of N2H+ and NO2+ will be useful in the interpretation of future laboratory or astronomical observations.

  8. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2.

    PubMed

    Huang, Xinchuan; Valeev, Edward F; Lee, Timothy J

    2010-12-28

    One-particle basis set extrapolation is compared with one of the new R12 methods for computing highly accurate quartic force fields (QFFs) and spectroscopic data, including molecular structures, rotational constants, and vibrational frequencies for the H(2)O, N(2)H(+), NO(2)(+), and C(2)H(2) molecules. In general, agreement between the spectroscopic data computed from the best R12 and basis set extrapolation methods is very good with the exception of a few parameters for N(2)H(+) where it is concluded that basis set extrapolation is still preferred. The differences for H(2)O and NO(2)(+) are small and it is concluded that the QFFs from both approaches are more or less equivalent in accuracy. For C(2)H(2), however, a known one-particle basis set deficiency for C-C multiple bonds significantly degrades the quality of results obtained from basis set extrapolation and in this case the R12 approach is clearly preferred over one-particle basis set extrapolation. The R12 approach used in the present study was modified in order to obtain high precision electronic energies, which are needed when computing a QFF. We also investigated including core-correlation explicitly in the R12 calculations, but conclude that current approaches are lacking. Hence core-correlation is computed as a correction using conventional methods. Considering the results for all four molecules, it is concluded that R12 methods will soon replace basis set extrapolation approaches for high accuracy electronic structure applications such as computing QFFs and spectroscopic data for comparison to high-resolution laboratory or astronomical observations, provided one uses a robust R12 method as we have done here. The specific R12 method used in the present study, CCSD(T)(R12), incorporated a reformulation of one intermediate matrix in order to attain machine precision in the electronic energies. Final QFFs for N(2)H(+) and NO(2)(+) were computed, including basis set extrapolation, core-correlation, scalar relativity, and higher-order correlation and then used to compute highly accurate spectroscopic data for all isotopologues. Agreement with high-resolution experiment for (14)N(2)H(+) and (14)N(2)D(+) was excellent, but for (14)N(16)O(2)(+) agreement for the two stretching fundamentals is outside the expected residual uncertainty in the theoretical values, and it is concluded that there is an error in the experimental quantities. It is hoped that the highly accurate spectroscopic data presented for the minor isotopologues of N(2)H(+) and NO(2)(+) will be useful in the interpretation of future laboratory or astronomical observations. PMID:21197977

  9. The integrated analyses of digital field mapping techniques and traditional field methods: implications from the Burdur-Fethiye Shear Zone, SW Turkey as a case-study

    NASA Astrophysics Data System (ADS)

    Elitez, İrem; Yaltırak, Cenk; Zabcı, Cengiz; Şahin, Murat

    2015-04-01

    The precise geological mapping is one of the most important issues in geological studies. Documenting the spatial distribution of geological bodies and their contacts play a crucial role on interpreting the tectonic evolution of any region. Although the traditional field techniques are still accepted to be the most fundamental tools in construction of geological maps, we suggest that the integration of digital technologies to the classical methods significantly increases the resolution and the quality of such products. We simply follow the following steps in integration of the digital data with the traditional field observations. First, we create the digital elevation model (DEM) of the region of interest by interpolating the digital contours of 1:25000 scale topographic maps to 10 m of ground pixel resolution. The non-commercial Google Earth satellite imagery and geological maps of previous studies are draped over the interpolated DEMs in the second stage. The integration of all spatial data is done by using the market leading GIS software, ESRI ArcGIS. We make the preliminary interpretation of major structures as tectonic lineaments and stratigraphic contacts. These preliminary maps are controlled and precisely coordinated during the field studies by using mobile tablets and/or phablets with GPS receivers. The same devices are also used in measuring and recording the geologic structures of the study region. Finally, all digitally collected measurements and observations are added to the GIS database and we finalise our geological map with all available information. We applied this integrated method to map the Burdur-Fethiye Shear Zone (BFSZ) in the southwest Turkey. The BFSZ is an active sinistral 60-to-90 km-wide shear zone, which prolongs about 300 km-long between Suhut-Cay in the northeast and Köyceğiz Lake-Kalkan in the southwest on land. The numerous studies suggest contradictory models not only about the evolution but also about the fault geometry of this wide deformation zone. In our study, we have mapped this complicated region since 2008 by using the data and the steps, which are described briefly above. After our joint-analyses, we show that there is no continuous single and narrow fault, the Burdur-Fethiye Fault, as it was previously suggested by many researches. Instead, the whole region is deformed under the oblique-sinistral shearing with considerable amount of extension, which causes a counterclockwise rotation within the zone.

  10. Developing a library of authenticated Traditional Chinese Medicinal (TCM) plants for systematic biological evaluation — Rationale, methods and preliminary results from a Sino-American collaboration☆

    PubMed Central

    Eisenberg, David M.; Harris, Eric S.J.; Littlefield, Bruce A.; Cao, Shugeng; Craycroft, Jane A.; Scholten, Robert; Bayliss, Peter; Fu, Yanling; Wang, Wenquan; Qiao, Yanjiang; Zhao, Zhongzhen; Chen, Hubiao; Liu, Yong; Kaptchuk, Ted; Hahn, William C.; Wang, Xiaoxing; Roberts, Thomas; Shamu, Caroline E.; Clardy, Jon

    2011-01-01

    While the popularity of and expenditures for herbal therapies (aka “ethnomedicines”) have increased globally in recent years, their efficacy, safety, mechanisms of action, potential as novel therapeutic agents, cost-effectiveness, or lack thereof, remain poorly defined and controversial. Moreover, published clinical trials evaluating the efficacy of herbal therapies have rightfully been criticized, post hoc, for their lack of quality assurance and reproducibility of study materials, as well as a lack of demonstration of plausible mechanisms and dosing effects. In short, clinical botanical investigations have suffered from the lack of a cohesive research strategy which draws on the expertise of all relevant specialties. With this as background, US and Chinese co-investigators with expertise in Traditional Chinese Medicine (TCM), botany, chemistry and drug discovery, have jointly established a prototype library consisting of 202 authenticated medicinal plant and fungal species that collectively represent the therapeutic content of the majority of all commonly prescribed TCM herbal prescriptions. Currently housed at Harvard University, the library consists of duplicate or triplicate kilogram quantities of each authenticated and processed species, as well as “detanninized” extracts and sub-fractions of each mother extract. Each species has been collected at 2–3 sites, each separated geographically by hundreds of miles, with precise GPS documentation, and authenticated visually and chemically prior to testing for heavy metals and/or pesticides contamination. An explicit decision process has been developed whereby samples with the least contamination were selected to undergo ethanol extraction and HPLC sub-fractionation in preparation for high throughput screening across a broad array of biological targets including cancer biology targets. As envisioned, the subfractions in this artisan collection of authenticated medicinal plants will be tested for biological activity individually and in combinations (i.e., “complex mixtures”) consistent with traditional ethnomedical practice. This manuscript summarizes the rationale, methods and preliminary “proof of principle” for the establishment of this prototype, authenticated medicinal plant library. It is hoped that these methods will foster scientific discoveries with therapeutic potential and enhance efforts to systematically evaluate commonly used herbal therapies worldwide. PMID:21108995

  11. A 4+1 phase shifting algorithm for rotating-compensator spectroscopic ellipsometry

    NASA Astrophysics Data System (ADS)

    Han, Zhi-gang; Xu, Zhi; Chen, Lei

    2014-09-01

    A 4+1 phase shifting algorithm is proposed for rotating-compensator spectroscopic ellipsometry (RCSE). The spectroscopic ellipsometric parameters are determined with five spectra, taken when the compensator is rotated at the detection angles of 0°, 45°, 90°, 135°, and an additional detection angle of 22.5°. There is no need to take the dark spectrum of the spectrometer for error correction using the new method, compared to Lee's method [2] which also utilizes five spectra for RCSE. It also indicates the algorithm designed to suppress the second harmonic frequency component in traditional phase shifting algorithm is helpful to determine both fundamental and second harmonic frequency components. By taking an additional spectrum, both the two harmonic frequency components of spectra in RCSE are determined by the designed 4+1 phase shifting algorithm.

  12. Chemical and Physical Methods to Analyze a Multicomponent Traditional Chinese Herbal Prescription Using LC-MS/MS, Electron Microscope, and Congo Red Staining

    PubMed Central

    Lu, Chia-Ming; Lin, Lie-Chwen; Tsai, Tung-Hu

    2013-01-01

    This study develops several chemical and physical methods to evaluate the quality of a traditional Chinese formulation, Jia-Wei-Xiao-Yao-San. Liquid chromatography-tandem mass spectrometry (LC-MS/MS) coupled with electrospray ionization was used to measure the herbal biomarkers of saikosaponin A, saikosaponin D, ferulic acid, and paeoniflorin from this herbal formula. A scanning electron microscope (SEM) and light microscopy photographs with Congo red staining were used to identify the cellulose fibers if raw herbal powder had been added to the herbal pharmaceutical product. Moreover, water solubility and crude fiber content examination were used to inspect for potential herbal additives to the herbal pharmaceutical products. The results demonstrate that the contents of the herbal ingredients of saikosaponin A, saikosaponin D, ferulic acid, and paeoniflorin were around 0.351 ± 0.017, 0.136 ± 0.010, 0.140 ± 0.005, and 2.281 ± 0.406 mg/g, respectively, for this herbal pharmaceutical product. The physical examination data demonstrate that the raw herbal powder had rough, irregular, lumpy, filamentous, and elongated shapes, as well as strong Congo red staining. In addition, water solubility and crude fiber content were not consistent in the herbal pharmaceutical products. PMID:23997802

  13. Application of molecular genetics method for differentiating Martes zibellina L. heart from its adulterants in traditional Chinese medicine based on mitochondrial cytochrome b gene.

    PubMed

    Li, Mingcheng; Xia, Wei; Wang, Miao; Yang, Mingyan; Zhang, Lihua; Guo, Jie

    2014-02-01

    The use of Martes zibellina L. heart as a famous kind of traditional Chinese medicine has been documented for many years in China. Identification of its authenticity as raw materials became a key in controlling of herbal preparations. In this study, the characteristics of mitochondrial cytochrome b (Cyt b) gene from four species of Martes were explored, and a specific molecular genetics technique for identifying the heart of M. zibellina L. in addition to some close relatives from their counterfeits was established. The bioinformatics was carried out to design the primers for the Cyt b gene based on the different species of Martes. PCR and sequencing technology were performed. The mt DNA was extracted from all of fresh M. zibellina L., Martes melampus. Martes flavigula. Martes martes heart samples and dry M. zibellina L. heart powder through the modified alkaline extracting method in addition to its counterfeits including the chicken heart, duck heart, goose heart, rabbit heart and Mustela vison. The complete mt DNA was separated from all samples used in the study, and the Cyt b gene with 310 bp segments was amplified only from M. zibellina L. heart as DNA template by the PCR technique. The sequencing indicated that the segment amplified by the PCR was homologous with the species of M. zibellina in GenBank. The data revealed that the primers and selected segment could be used as the genetic markers to identify M. zibellina L. heart from its counterfeits among different animal species. PMID:23919324

  14. From traditional cognitivebehavioural therapy to acceptance and commitment therapy for chronic pain: a mixed-methods study of staff experiences of change

    PubMed Central

    Barker, Estelle

    2014-01-01

    Health care organizations, both large and small, frequently undergo processes of change. In fact, if health care organizations are to improve over time, they must change; this includes pain services. The purpose of the present study was to examine a process of change in treatment model within a specialty interdisciplinary pain service in the UK. This change entailed a switch from traditional cognitivebehavioural therapy to a form of cognitivebehavioural therapy called acceptance and commitment therapy. An anonymous online survey, including qualitative and quantitative components, was carried out approximately 15 months after the initial introduction of the new treatment model and methods. Fourteen out of 16 current clinical staff responded to the survey. Three themes emerged in qualitative analyses: positive engagement in change; uncertainty and discomfort; and group cohesion versus discord. Quantitative results from closed questions showed a pattern of uncertainty about the superiority of one model over the other, combined with more positive views on progress reflected, and the experience of personal benefits, from adopting the new model. The psychological flexibility model, the model behind acceptance and commitment therapy, may clarify both processes in patient behaviour and processes of staff experience and skilful treatment delivery. This integration of processes on both sides of treatment delivery may be a strength of acceptance and commitment therapy. PMID:26516541

  15. NMR-spectroscopic analysis of mixtures: from structure to function

    PubMed Central

    Forseth, Ry R.; Schroeder, Frank C.

    2010-01-01

    NMR spectroscopy as a particularly information-rich method offers unique opportunities for improving the structural and functional characterization of metabolomes, which will be essential for advancing the understanding of many biological processes. Whereas traditionally NMR spectroscopy was mostly relegated to the characterization of pure compounds, the last few years have seen a surge of interest in using NMR spectroscopic techniques for characterizing complex metabolite mixtures. Development of new methods was motivated partly by the realization that using NMR for the analysis of metabolite mixtures can help identify otherwise inaccessible small molecules, for example compounds that are prone to chemical decomposition and thus cannot be isolated. Furthermore, comparative metabolomics and statistical analyses of NMR-spectra have proven highly effective at identifying novel and known metabolites that correlate with changes in genotype or phenotype. In this review, we provide an overview of the range of NMR spectroscopic techniques recently developed for characterizing metabolite mixtures, including methods used in discovery-oriented natural product chemistry, in the study of metabolite biosynthesis and function, or for comparative analyses of entire metabolomes. PMID:21071261

  16. Probing the interaction of a new synthesized CdTe quantum dots with human serum albumin and bovine serum albumin by spectroscopic methods.

    PubMed

    Bardajee, Ghasem Rezanejade; Hooshyar, Zari

    2016-05-01

    A novel CdTe quantum dots (QDs) were prepared in aqueous phase via a facile method. At first, poly (acrylic amide) grafted onto sodium alginate (PAAm-g-SA) were successfully synthesized and then TGA capped CdTe QDs (CdTe-TGA QDs) were embed into it. The prepared CdTe-PAAm-g-SA QDs were optimized and characterized by transmission electron microscopy (TEM), thermo-gravimetric (TG) analysis, Fourier transform infrared (FT-IR), UV-vis and fluorescence spectroscopy. The characterization results indicated that CdTe-TGA QDs, with particles size of 2.90nm, were uniformly dispersed on the chains of PAAm-g-SA biopolymer. CdTe-PAAm-g-SA QDs also exhibited excellent UV-vis absorption and high fluorescence intensity. To explore biological behavior of CdTe-PAAm-g-SA QDs, the interactions between CdTe-PAAm-g-SA QDs and human serum albumin (HSA) (or bovine serum albumin (BSA)) were investigated by cyclic voltammetry, FT-IR, UV-vis, and fluorescence spectroscopic. The results confirmed the formation of CdTe-PAAm-g-SA QDs-HSA (or BSA) complex with high binding affinities. The thermodynamic parameters (ΔG<0, ΔH<0 and ΔS<0) were indicated that binding reaction was spontaneous and van der Waals interactions and hydrogen-bond interactions played a major role in stabilizing the CdTe-PAAm-g-SA QDs-HSA (or BSA) complexes. The binding distance between CdTe-PAAm-g-SA QDs and HSA (or BSA)) was calculated about 1.37nm and 1.27nm, respectively, according to Forster non-radiative energy transfer theory (FRET). Analyzing FT-IR spectra showed that the formation of QDs-HSA and QDs-BSA complexes led to conformational changes of the HSA and BSA proteins. All these experimental results clarified the effective transportation and elimination of CdTe-PAAm-g-SA QDs in the body by binding to HSA and BSA, which could be a useful guideline for the estimation of QDs as a drug carrier. PMID:26952487

  17. Retrieval of greenhouse gases from space-based spectroscopic measurements with the photon pathlength probability density function method: application to GOSAT observations

    NASA Astrophysics Data System (ADS)

    Oshchepkov, Sergey; Morino, Isamu; Yoshida, Yukio; Yokota, Tatsuya; Bril, Andrey

    The Greenhouse Gases Observing Satellite IBUKI (GOSAT) is the worlds first satellite to observe concentrations of carbon dioxide (CO2) and methane (CH4) through the atmosphere. The spacecraft is in orbit since 23rd January, 2009. A large number of high-resolution spectroscopic observational data of reflected sunlight measured with the Thermal And Near-infrared Sensor for carbon Observation-Fourier Transform Spectrometer (TANSO-FTS) are available from the National Institute for Environmental Studies (NIES). The major source of error in retrieving gas amounts from space-based measurements of reflected sunlight is atmospheric light scattering. Several algorithms have been developed in different groups throughout the world to process the GOSAT data for retrieving global and temporal distributions of the gas amounts. These algorithms mainly differ in how they account for atmospheric light scattering. This presentation describes application of the photon Path length Probability Density Function (PPDF) method to process GOSAT observations from three TANSO-FTS Short-Wavelength InfraRed (SWIR) bands (centered at 0.76 m, 1.6 m, and 2.0 m). The retrieval procedure includes constrained minimization of the residual between the modeled and observed GOSAT spectra. We retrieve the column-averaged dry air mole fractions of the greenhouse gases (XCO2 and XCH4) simultaneously with PPDF parameters from each GOSAT single sounding. PPDF parameters characterize light path shortening and light path lengthening that could take place depending on the amount and location of thin clouds and aerosols as well as depending on surface properties. As a part of validation study, we compared PPDF-based gas retrievals with those derived from FTS ground-based measurements over twelve sites included in the Total Carbon Column Observing Network (TCCON). The sites are located in both the Southern (3 sites) and the Northern (9 sites) Hemispheres. TCCON is a reliable reference source of greenhouse gas measurements due to the direct solar-viewing geometry, which virtually eliminates the impact of atmospheric light scattering on the measurements. Both seasonal trends and pairwise GOSAT-TCCON statistical comparisons have been considered. We also evaluated XCO2 and XCH4 retrievals globally using atmospheric transport model.

  18. A comparative study on the pharmacokinetics of a traditional Chinese herbal preparation with the single herb extracts in rats by LC-MS/MS method.

    PubMed

    Sun, Ying-guang; Du, Ying-feng; Yang, Kai; Chang, Lu; Cao, Liang; Ren, Yan-ping; Sun, Qian; Wang, Qiao; Zhang, Lan-tong; Lv, Pin-tian

    2013-01-01

    The Er-Mu preparation (EMP) is a well-known traditional Chinese prescription that has been clinically employed for the treatment of asthma and bronchial inflammation for hundreds of years. Neomangiferin, mangiferin, peimine, peiminine, timosaponin BII and timosaponin AIII are the major active ingredients of EMP for their anti-inflammatory or anti-asthmatic effects. The aim of this study was to investigate the pharmacokinetics of the target compounds from the recipe of EMP and the single herb extracts of Anemarrhenae asphodeloides Bge. (ARR) and Fritillariae cirrhosae D.Don (FCB), and the influence of compatibility on the pharmacokinetics of the main active ingredients. The rats were randomly assigned to three groups and orally administered with the recipe of EMP and the single herb extracts of ARR and FCB, respectively. The concentrations of the target compounds in rat plasma were determined by an optimal liquid chromatography-electrospray ionization mass spectrometry (HPLC-ESI-MS) and multiple reaction monitoring (MRM) with a multi-switching monitoring mode coupled with simple protein precipitation method, and the main pharmacokinetic parameters were estimated. Significant differences (p<0.05) were found in the pharmacokinetic parameters of neomangiferin, mangiferin, peimine and peiminine between the single ARR or FCB extract and the combination treatment (p<0.05). The developed HPLC-ESI-MS method by switching positive and negative ESI sources in a single run was successfully applied to study the pharmacokinetics of six compounds in SD rat, which was powerful in terms of sensitivity, selectivity, time savings and solvent consumption in the quantitative analysis of complex herbal medicines. It was surmised that formula compatibility could significantly influence the pharmacokinetics of EMP and our study has preliminarily elucidated the priority in the compatible administration of EMP based on pharmacokinetic studies. PMID:23624157

  19. Spectroscopic Detection of Pathogens

    SciTech Connect

    ALAM,M. KATHLEEN; TIMLIN,JERILYN A.; MARTIN,LAURA E.; HJELLE,DRIAN; LYONS,RICK; GARRISON,KRISTIN

    2000-11-01

    The goal of this LDRD Research project was to provide a preliminary examination of the use of infrared spectroscopy as a tool to detect the changes in cell cultures upon activation by an infectious agent. Due to a late arrival of funding, only 5 months were available to transfer and setup equipment at UTTM,develop cell culture lines, test methods of in-situ activation and collect kinetic data from activated cells. Using attenuated total reflectance (ATR) as a sampling method, live cell cultures were examined prior to and after activation. Spectroscopic data were collected from cells immediately after activation in situ and, in many cases for five successive hours. Additional data were collected from cells activated within a test tube (pre-activated), in both transmission mode as well as in ATR mode. Changes in the infrared data were apparent in the transmission data collected from the pre-activated cells as well in some of the pre-activated ATR data. Changes in the in-situ activated spectral data were only occasionally present due to (1) the limited time cells were studied and (2) incomplete activation. Comparison of preliminary data to infrared bands reported in the literature suggests the primary changes seen are due an increase in ribonucleic acid (RNA) production. This work will be continued as part of a 3 year DARPA grant.

  20. Understanding traditional African healing

    PubMed Central

    MOKGOBI, M.G.

    2015-01-01

    Traditional African healing has been in existence for many centuries yet many people still seem not to understand how it relates to God and religion/spirituality. Some people seem to believe that traditional healers worship the ancestors and not God. It is therefore the aim of this paper to clarify this relationship by discussing a chain of communication between the worshipers and the Almighty God. Other aspects of traditional healing namely types of traditional healers, training of traditional healers as well as the role of traditional healers in their communities are discussed. In conclusion, the services of traditional healers go far beyond the uses of herbs for physical illnesses. Traditional healers serve many roles which include but not limited to custodians of the traditional African religion and customs, educators about culture, counselors, social workers and psychologists. PMID:26594664

  1. Spectroscopic full polarimeters using spatial carriers

    NASA Astrophysics Data System (ADS)

    Oka, Kazuhiko; Haga, Yujin; Komaki, Yoshihiko

    2013-09-01

    Several implementations of spectroscopic polarimeters using spatial carriers are presented. The first implementation incorporates two Savart plates and a spectrometer including a two-dimensional CCD to generate a spectrum with spatial carriers. The frequency filtering along the spatial coordinate at each wavelength allows us to conduct the snapshot measurement of the wavelength-resolved Stokes parameters. The spectral resolution of the SOP measurement can be enhanced up to that of the spectrometer. In the second implementation, two achromatic birefringent prism pairs are used to decrease the limitation in the design of the spectroscopic polarimeter. Finally, the present method is combined with a channeled spectroscopic polarization state generator so that the spectroscopic Mueller matrix of a sample can be determined by the snapshot measurement of the two-dimensional spectrum.

  2. IMPROVED SPECTROSCOPIC PARAMETERS FOR TRANSITING PLANET HOSTS

    SciTech Connect

    Torres, Guillermo; Holman, Matthew J.; Carter, Joshua A.; Fischer, Debra A.; Sozzetti, Alessandro; Buchhave, Lars A.; Winn, Joshua N.

    2012-10-01

    We report homogeneous spectroscopic determinations of the effective temperature, metallicity, and projected rotational velocity for the host stars of 56 transiting planets. Our analysis is based primarily on the stellar parameter classification (SPC) technique. We investigate systematic errors by examining subsets of the data with two other methods that have often been used in previous studies (Spectroscopy Made Easy (SME) and MOOG). The SPC and SME results, both based on comparisons between synthetic spectra and actual spectra, show strong correlations between T{sub eff}, [Fe/H], and log g when solving for all three quantities simultaneously. In contrast the MOOG results, based on a more traditional curve-of-growth approach, show no such correlations. To combat the correlations and improve the accuracy of the temperatures and metallicities, we repeat the SPC analysis with a constraint on log g based on the mean stellar density that can be derived from the analysis of the transit light curves. Previous studies that have not taken advantage of this constraint have been subject to systematic errors in the stellar masses and radii of up to 20% and 10%, respectively, which can be larger than other observational uncertainties, and which also cause systematic errors in the planetary mass and radius.

  3. Traditional Agriculture and Permaculture.

    ERIC Educational Resources Information Center

    Pierce, Dick

    1997-01-01

    Discusses benefits of combining traditional agricultural techniques with the concepts of "permaculture," a framework for revitalizing traditions, culture, and spirituality. Describes school, college, and community projects that have assisted American Indian communities in revitalizing sustainable agricultural practices that incorporate cultural

  4. College Student Competency and Attitudes in Algebra Classes: A Comparison of Traditional and Online Delivery Methods in Exponents and Polynomials Concepts

    ERIC Educational Resources Information Center

    Huang, Kai-Yi Clark

    2012-01-01

    The purpose of this study was to measure the difference in achievement between those students enrolled in a beginning-level, university Algebra course in southeastern Idaho university the spring semester of 2012 who received an Algebra Exponents and Polynomials instructional unit in a traditional face-to-face setting and those students who…

  5. College Student Competency and Attitudes in Algebra Classes: A Comparison of Traditional and Online Delivery Methods in Exponents and Polynomials Concepts

    ERIC Educational Resources Information Center

    Huang, Kai-Yi Clark

    2012-01-01

    The purpose of this study was to measure the difference in achievement between those students enrolled in a beginning-level, university Algebra course in southeastern Idaho university the spring semester of 2012 who received an Algebra Exponents and Polynomials instructional unit in a traditional face-to-face setting and those students who

  6. How the Internet Is Changing the Implementation of Traditional Research Methods, People's Daily Lives, and the Way in Which Developmental Scientists Conduct Research

    ERIC Educational Resources Information Center

    Denissen, Jaap J. A.; Neumann, Linus; van Zalk, Maarten

    2010-01-01

    Recent years have seen an impressive increase in web-based research, of which we review and discuss two main types. First, researchers can create online versions of traditional questionnaires. Using the internet in this way usually does not compromise the psychometric properties of such measures, and participants are typically not less

  7. [Spectroscopic and dynamical studies of highly energized small polyatomic molecules]. [Stimulated emission pumping

    SciTech Connect

    Not Available

    1992-01-01

    Stimulated emission pumping (SEP) spectroscopy was used on acetylene and on formyl radical. An attempt was made for pattern recognition based on statistics; a method was invented that combined CNPI (complete nuclear permutation-inversion) group theory and SCC (spectral cross-correlation). But the direction away from statistical pattern recognition back to traditional spectroscopic pattern recognition was taken. Vibrational states and quantum numbers are discussed. For the formyl radical, the fluorescence excitation spectrum was recorded and a rotational analysis of the 0[sup 0][sub 0] band performed.

  8. Comparison of an automated Most Probable Number (MPN) technique to traditional plating methods for estimating populations of total aerobes, coliforms and E. coli associated with freshly processed broiler chickens

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Recently, an instrument (TEMPOTM) has been developed to automate the Most Probable Number (MPN) technique and reduce the effort required to estimate some bacterial populations. We compared the automated MPN technique to traditional microbiological plating methods or PetrifilmTM for estimating the t...

  9. X-Ray Absorption And EPR Spectroscopic Studies of the Biotransformations of Chromium(Vi) in Mammalian Cells. Is Chromodulin An Artifact of Isolation Methods?

    SciTech Connect

    Levina, A.; Harris, H.H.; Lay, P.A.; /Sydney U.

    2007-07-10

    Very different biological activities are usually ascribed to Cr(VI) (a toxin and carcinogen) and Cr(III) (an antidiabetic agent), although recent evidence suggests that both these types of actions are likely to arise from cellular uptake of varying concentrations of Cr(VI). The first systematic study of XANES spectra of Cr(III) complexes formed in Cr(VI)-treated mammalian cells (A549, HepG2, V79, and C2C12 cell lines), and in subcellular fractions of A549 cells, has been performed using a library of XANES spectra of model Cr(III) complexes. The results of multiple linear regression analyses of XANES spectra, in combination with multiple-scattering fits of XAFS spectra, indicate that Cr(III) formed in Cr(VI)-treated cells is most likely to bind to carboxylato, amine, and imidazole residues of amino acids, and to a lesser extent to hydroxo or aqua ligands. A combination of XANES and EPR spectroscopic data for Cr(VI)-treated cells indicates that the main component of Cr(III) formed in such cells is bound to high-molecular-mass ligands (>30 kDa, probably proteins), but significant redistribution of Cr(III) occurs during the cell lysis, which leads to the formation of a low-molecular-mass (<30 kDa) Cr(III)-containing fraction. The spectroscopic (XANES, XAFS, and EPR) properties of this fraction were strikingly similar to those of the purported natural Cr(III)-containing factor, chromodulin, that was reported to be isolated from the reaction of Cr(VI) with liver. These data support the hypothesis that a chromodulin-like species, which is formed from such a reaction, is an artifact of the reported isolation procedure.

  10. A Spectroscopic-Based Laboratory Experiment for Protein Conformational Studies

    ERIC Educational Resources Information Center

    Ramos, Carlos Henrique I.

    2004-01-01

    This article describes a practical experiment for teaching basic spectroscopic techniques to introduce the topic of protein conformational change to students in the field of molecular biology, biochemistry, or structural biology. The spectroscopic methods employed in the experiment are absorbance, for protein concentration measurements, and

  11. A Spectroscopic-Based Laboratory Experiment for Protein Conformational Studies

    ERIC Educational Resources Information Center

    Ramos, Carlos Henrique I.

    2004-01-01

    This article describes a practical experiment for teaching basic spectroscopic techniques to introduce the topic of protein conformational change to students in the field of molecular biology, biochemistry, or structural biology. The spectroscopic methods employed in the experiment are absorbance, for protein concentration measurements, and…

  12. Traditional Construction in Burma

    USGS Multimedia Gallery

    Traditional construction throughout Burma utilizes bamboo and other lightweight building materials, resulting in structures that are not generally durable but are quite earthquake-safe.  As traditional structures such as this house give way to more modern masonry buildings, seismic risk will in...

  13. Family Customs and Traditions.

    ERIC Educational Resources Information Center

    MacGregor, Cynthia

    Recognizing the importance of maintaining open communication with immediate and extended family members, this book provides a compilation of ideas for family traditions and customs that are grounded in compassion and human kindness. The traditions were gathered from families in the United States and Canada who responded to advertisements in

  14. Teaching Tradition Teaches Us.

    ERIC Educational Resources Information Center

    Graveline, Fyre Jean

    2002-01-01

    Presented in a poetic format, the challenges of revitalizing traditional Indigenous healing and teaching strategies in an Aboriginal counseling program within a Eurocentric university are highlighted from a Native perspective. Contradictions that have arisen in bringing tradition into a modern university context provide lessons from which to

  15. Traditional Native Poetry.

    ERIC Educational Resources Information Center

    Grant, Agnes

    1985-01-01

    While Native myths and legends were educational tools to transmit tribal beliefs and history, traditional American Indian poetry served a ritualistic function in everyday life. Few traditional Native songs, which all poems were, survive; only Mayan and Aztec poems were written, and most of these were burned by a Spanish bishop. In addition, many…

  16. Family Customs and Traditions.

    ERIC Educational Resources Information Center

    MacGregor, Cynthia

    Recognizing the importance of maintaining open communication with immediate and extended family members, this book provides a compilation of ideas for family traditions and customs that are grounded in compassion and human kindness. The traditions were gathered from families in the United States and Canada who responded to advertisements in…

  17. Traditional Native Poetry.

    ERIC Educational Resources Information Center

    Grant, Agnes

    1985-01-01

    While Native myths and legends were educational tools to transmit tribal beliefs and history, traditional American Indian poetry served a ritualistic function in everyday life. Few traditional Native songs, which all poems were, survive; only Mayan and Aztec poems were written, and most of these were burned by a Spanish bishop. In addition, many

  18. Rethinking the "Western Tradition"

    ERIC Educational Resources Information Center

    Enslin, Penny; Horsthemke, Kai

    2015-01-01

    In recent years, the "Western tradition" has increasingly come under attack in anti-colonialist and postmodernist discourses. It is not difficult to sympathise with the concerns that underlie advocacy of historically marginalised traditions, and the West undoubtedly has a lot to answer for. Nonetheless, while arguing a qualified yes to

  19. Rethinking the "Western Tradition"

    ERIC Educational Resources Information Center

    Enslin, Penny; Horsthemke, Kai

    2015-01-01

    In recent years, the "Western tradition" has increasingly come under attack in anti-colonialist and postmodernist discourses. It is not difficult to sympathise with the concerns that underlie advocacy of historically marginalised traditions, and the West undoubtedly has a lot to answer for. Nonetheless, while arguing a qualified yes to…

  20. Spectroscopic wear detector

    NASA Technical Reports Server (NTRS)

    Madzsar, George C. (Inventor)

    1993-01-01

    The elemental composition of a material exposed to hot gases and subjected to wear is determined. Atoms of an elemental species not appearing in this material are implanted in a surface at a depth based on the maximum allowable wear. The exhaust gases are spectroscopically monitored to determine the exposure of these atoms when the maximum allowable wear is reached.

  1. Study on the interaction between methyl jasmonate and the coiled-coil domain of rice blast resistance protein Pi36 by spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Liu, Xin Q.; Zhang, Dan; Zhang, Xiang M.; Wang, Chun T.; Liu, Xue Q.; Tan, Yan P.; Wu, Yun H.

    2012-03-01

    Interaction between the coiled-coil domain of rice blast resistance protein Pi36 and methyl-jasmonate (MeJA) was studied by fluorescence and UV-vis spectroscopic techniques. The quenching mechanism of fluorescence of MeJA by this domain was discussed to be a static quenching procedure. Fluorescence quenching was explored to measure the number of binding sites n and apparent binding constants K. The thermodynamics parameters ΔH, ΔG, ΔS were also calculated. The results indicate the binding reaction was not entropy-driven but enthalpy-driven, and hydrophobic binding played major role in the interaction. The binding sites of MeJA with the coiled-coil structural domain of rice blast resistance protein Pi36 were found to approach the microenvironment of both Tyr and Trp by the synchronous fluorescence spectrometry. The distance r between donor (the coiled-coil domain of rice blast resistance protein Pi36) and acceptor (MeJA) was obtained according to Förster theory of non-radioactive energy transfer.

  2. Application of spectroscopic and theoretical methods in the studies of photoisomerization and photophysical properties of the push-pull styryl-benzimidazole dyes.

    PubMed

    J?drzejewska, B; O?mia?owski, B; Zale?ny, R

    2016-01-01

    The synthesis and spectroscopic properties of a series of substituted 1,3-dimethyl-2-aminostyrylbenzimidazolium iodides are described and discussed. The products were identified by NMR, IR and UV-Vis spectroscopy and elemental analysis. Their electronic absorption and fluorescence band positions are affected by the character of the substituent and by the solvent polarity. The fluorescence decay of the dyes shows two lifetimes interpreted in terms of emission from two forms of the dye in the excited state. Moreover, the photochemical trans?cis isomerization is reported for these compounds. It occurs from the first excited singlet state of the trans isomer to the cis isomer following a trans-S0? S1 excitation. The electron-donating character of the substituent in a styrene moiety is one of the crucial factors influencing the photoisomerization process. The structure of the cis isomer was established by (1)H and (15)N NMR. Experimental studies are supported by the results of quantum chemical calculations. PMID:26692103

  3. A comparative study of caffeine and theophylline binding to Mg(II) and Ca(II) ions: studied by FTIR and UV spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Nafisi, Shohreh; Shamloo, Delaram Sadraii; Mohajerani, Nasser; Omidi, Akram

    2002-08-01

    The interactions of calcium and magnesium ions with caffeine and theophylline have been investigated in aqueous solution at physiological pH. Fourier Transform infrared (FTIR) spectroscopy and absorption spectra were used to determine the cation binding mode and the association constants. Our spectroscopic results showed that calcium and magnesium ions do not complex with caffeine strongly and the weak interactions between caffeine and Mg 2+ and Ca 2+ might be via O6 atom. In Ca 2+-theophylline complex, binding between Ca 2+ with C?O and N7 is observed, however in Mg 2+-theophylline complex, binding between Mg 2+ and N7 is more likely. The k values of these complexes are as follows: k(caffeine-Ca)=29.8 M -1, k(caffeine-Mg)=22.4 M -1, k(theophylline-Ca)=59.8 M -1 and k(theophylline-Mg)=33.8 M -1. These values are evidence for a weak cation interaction in these metal complexes.

  4. The "Natural Law Tradition."

    ERIC Educational Resources Information Center

    Finnis, John

    1986-01-01

    A discussion of natural law outlines some of the theory and tradition surrounding it and examines its relationship to the social science and legal curriculum and to the teaching of jurisprudence. (MSE)

  5. CLASSIFICATION OF IRANIAN NURSES ACCORDING TO THEIR MENTAL HEALTH OUTCOMES USING GHQ-12 QUESTIONNAIRE: A COMPARISON BETWEEN LATENT CLASS ANALYSIS AND K-MEANS CLUSTERING WITH TRADITIONAL SCORING METHOD

    PubMed Central

    Jamali, Jamshid; Ayatollahi, Seyyed Mohammad Taghi

    2015-01-01

    Background: Nurses constitute the most providers of health care systems. Their mental health can affect the quality of services and patients satisfaction. General Health Questionnaire (GHQ-12) is a general screening tool used to detect mental disorders. Scoring method and determining thresholds for this questionnaire are debatable and the cut-off points can vary from sample to sample. This study was conducted to estimate the prevalence of mental disorders among Iranian nurses using GHQ-12 and also compare Latent Class Analysis (LCA) and K-means clustering with traditional scoring method. Methodology: A cross-sectional study was carried out in Fars and Bushehr provinces of southern Iran in 2014. Participants were 771 Iranian nurses, who filled out the GHQ-12 questionnaire. Traditional scoring method, LCA and K-means were used to estimate the prevalence of mental disorder among Iranian nurses. Cohens kappa statistic was applied to assess the agreement between the LCA and K-means with traditional scoring method of GHQ-12. Results: The nurses with mental disorder by scoring method, LCA and K-mean were 36.3% (n=280), 32.2% (n=248), and 26.5% (n=204), respectively. LCA and logistic regression revealed that the prevalence of mental disorder in females was significantly higher than males. Conclusion: Mental disorder in nurses was in a medium level compared to other people living in Iran. There was a little difference between prevalence of mental disorder estimated by scoring method, K-means and LCA. According to the advantages of LCA than K-means and different results in scoring method, we suggest LCA for classification of Iranian nurses according to their mental health outcomes using GHQ-12 questionnaire PMID:26622202

  6. Traditional Indonesian dairy foods.

    PubMed

    Surono, Ingrid S

    2015-01-01

    Indonesia is the largest archipelago blessed with one of the richest mega-biodiversities and also home to one of the most diverse cuisines and traditional fermented foods. There are 3 types of traditional dairy foods, namely the butter-like product minyak samin; yogurt-like product dadih; and cheese-like products dali or bagot in horbo, dangke, litsusu, and cologanti, which reflect the culture of dairy product consumption in Indonesia. PMID:26715081

  7. Spectroscopic Low Coherence Interferometry

    NASA Astrophysics Data System (ADS)

    Bosschaart, Nienke; van Leeuwen, T. G.; Aalders, Maurice C.; Hermann, Boris; Drexler, Wolfgang; Faber, Dirk J.

    Low-coherence interferometry (LCI) allows high-resolution volumetric imaging of tissue morphology and provides localized optical properties that can be related to the physiological status of tissue. This chapter discusses the combination of spatial and spectroscopic information by means of spectroscopic OCT (sOCT) and low-coherence spectroscopy (LCS). We describe the theory behind these modalities for the assessment of spatially resolved optical absorption and (back)scattering coefficient spectra. These spectra can be used for the highly localized quantification of chromophore concentrations and assessment of tissue organization on (sub)cellular scales. This leads to a wealth of potential clinical applications, ranging from neonatology for the determination of billibrubin concentrations, to oncology for the optical assessment of the aggressiveness of a cancerous lesion.

  8. Spectroscopic Binary Stars

    NASA Astrophysics Data System (ADS)

    Batten, A.; Murdin, P.

    2000-11-01

    Historically, spectroscopic binary stars were binary systems whose nature was discovered by the changing DOPPLER EFFECT or shift of the spectral lines of one or both of the component stars. The observed Doppler shift is a combination of that produced by the constant RADIAL VELOCITY (i.e. line-of-sight velocity) of the center of mass of the whole system, and the variable shift resulting from the o...

  9. The HITRAN2012 molecular spectroscopic database

    NASA Astrophysics Data System (ADS)

    Rothman, L. S.; Gordon, I. E.; Babikov, Y.; Barbe, A.; Chris Benner, D.; Bernath, P. F.; Birk, M.; Bizzocchi, L.; Boudon, V.; Brown, L. R.; Campargue, A.; Chance, K.; Cohen, E. A.; Coudert, L. H.; Devi, V. M.; Drouin, B. J.; Fayt, A.; Flaud, J.-M.; Gamache, R. R.; Harrison, J. J.; Hartmann, J.-M.; Hill, C.; Hodges, J. T.; Jacquemart, D.; Jolly, A.; Lamouroux, J.; Le Roy, R. J.; Li, G.; Long, D. A.; Lyulin, O. M.; Mackie, C. J.; Massie, S. T.; Mikhailenko, S.; Mller, H. S. P.; Naumenko, O. V.; Nikitin, A. V.; Orphal, J.; Perevalov, V.; Perrin, A.; Polovtseva, E. R.; Richard, C.; Smith, M. A. H.; Starikova, E.; Sung, K.; Tashkun, S.; Tennyson, J.; Toon, G. C.; Tyuterev, Vl. G.; Wagner, G.

    2013-11-01

    This paper describes the status of the 2012 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2008 and its updates during the intervening years. The HITRAN molecular absorption compilation is comprised of six major components structured into folders that are freely accessible on the internet. These folders consist of the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, ultraviolet spectroscopic parameters, aerosol indices of refraction, collision-induced absorption data, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, and validity. Molecules and isotopologues have been added that address the issues of atmospheres beyond the Earth. Also discussed is a new initiative that casts HITRAN into a relational database format that offers many advantages over the long-standing sequential text-based structure that has existed since the initial release of HITRAN in the early 1970s.

  10. LIBS spectroscopic classification relative to compressive sensing

    NASA Astrophysics Data System (ADS)

    Griffin, Steven T.; Jacobs, Eddie; Furxhi, Orges

    2011-05-01

    Laser Induced Breakdown Spectroscopy (LIBS) utilizes a diversity of standard spectroscopic techniques for classification of materials present in the sample. Pre-excitation processing sometimes limits the analyte to a short list of candidates. Prior art demonstrates that sparsity is present in the data. This is sometimes characterized as identification by components. Traditionally, spectroscopic identification has been accomplished by an expert reader in a manner typical for MRI images in the medicine. In an effort to automate this process, more recent art has emphasized the use of customized variations to standard classification algorithms. In addition, formal mathematical proofs for compressive sensing have been advanced. Recently the University of Memphis has been contracted by the Spectroscopic Materials Identification Center to advance and characterize the sensor research and development related to LIBS. Applications include portable standoff sensing for improvised explosive device detection and related law enforcement and military applications. Reduction of the mass, power consumption and other portability parameters is seen as dependent on classification choices for a LIBS system. This paper presents results for the comparison of standard LIBS classification techniques to those implied by Compressive Sensing mathematics. Optimization results and implications for portable LIBS design are presented.

  11. Preferences of interns and residents for E-mail, paging, or traditional methods for the delivery of different types of clinical information.

    PubMed Central

    Wagner, M. M.; Eisenstadt, S. A.; Hogan, W. R.; Pankaskie, M. C.

    1998-01-01

    We elicited from medical house staff their preferences for e-mail and alphanumeric pager as communication channels for the delivery of 18 different types of clinical information about their inpatients. For each type, we calculated the proportion of users who preferred delivery by e-mail, pager, both, or neither (usual delivery). For 14/18 (78%) types, more users preferred delivery by pager than by the other options. For 2/18 (11%) types, e-mail was preferred. For 2/18 (11%) types, more users preferred redundant delivery using both channels. For no types did more users prefer neither, meaning that the information would be delivered by traditional channels, if any. We conclude that medical house staff in the inpatient setting prefer to receive many types of clinical information by pager. The reason may be that they otherwise would have to query clinical information systems for these data, which is wasteful of their time and introduces delays into the process of care. Additionally, we found significant inter-user variability, suggesting that it may be useful for the notification services of an enterprise to employ user profiles for the delivery of clinical information. PMID:9929198

  12. Passive solar in China: traditional and new

    SciTech Connect

    Balcomb, J.D.; Balcomb, S.A.

    1986-04-01

    The authors' observations of a tradition of passive solar architecture in northern China are described. Tendencies for modern buildings to depart from this tradition are noted. Major passive solar research programs are discussed and experimental buildings are illustrated. It is concluded that the Chinese could realize a major advantage by combining their strong tradition of passive solar architecture with modern insulation methods and improved glazing systems.

  13. Spectroscopic diversity of type Ia supernovae

    NASA Astrophysics Data System (ADS)

    Hsiao, Yi Chi Eric

    Type Ia supernovae (SNe Ia) are excellent tools in cosmology. Their intrinsic luminosities are found to vary systematically with the light-curve widths, providing an empirical calibration. This property, called the width-luminosity relation (WLR), is the basis of modern SN Ia cosmology and led to the unexpected discovery of the current accelerated rate of cosmic expansion. By examining the spectroscopic diversity of SNe Ia, this thesis aims to improve both the use of SNe Ia in cosmology and the physical understanding of the observed properties. Spectra of SNe Ia contain a wealth of information, but are difficult to organize. In this thesis, new methods are developed to consistently quantify and analyze the spectral features of supernovae. The efficacy of the methods is tested on a large library of observed spectra encompassing a wide range of properties. The spectroscopic diversity of SNe Ia enters cosmology through K-correction calculations. Before this work, K-correction was a major contributor of the systematic errors in cosmology. It is shown here that the systematic errors can be largely diminished by carefully quantifying the mean spectroscopic properties of SNe Ia. The remaining statistical errors are also quantified and shown to be redshift dependent. With the aid of principal component analysis (PCA), the multidimensional spectral information is reduced to a few components describing the largest variations in the spectral library. Using this tool, it is shown here that SN Ia intrinsic luminosity is the main driver of the spectroscopic diversity at maximum light, for every spectral feature from the ultraviolet to the near-infrared. These spectroscopic sequences can potentially account for a large fraction of the K-correction statistical errors and even enable the use of SN Ia spectra as independent indicators of intrinsic luminosity and colors. The established relations will also disentangle the effects of demographic shift and true evolution in high-redshift SN Ia spectra. The temporal evolution of the spectral features is shown to exhibit the persistence of the spectroscopic sequences throughout other epochs. The effect is attributed to the more rapid spectroscopic temporal evolution of fainter SNe Ia. This conclusion supports the theory that WLR is primarily a spectroscopic effect, rather than a bolometric one.

  14. A Comparison of Near- and Mid-Infrared Spectroscopic Methods for the Analysis of Several Nutritionally Important Chemical Substances in the Chinese Yam (Dioscorea opposita): Total Sugar, Polysaccharides, and Flavonoids.

    PubMed

    Zhuang, Hua; Ni, Yongnian; Kokot, Serge

    2015-04-01

    The Chinese yam (Dioscorea opposita) is a basic food in Asia and especially China. Consequently, an uncomplicated, reliable method should be available for the analysis of the quality and origin of the yams. Thus, near-infrared (NIR) and mid-infrared (mid-IR) spectroscopic methods were developed to discriminate among Chinese yam samples collected from four geographical regions. The yam samples were analyzed also for total sugar, polysaccharides, and flavonoids. These three analytes were used to compare the performance of the analytical methods. Overlapping spectra were resolved using chemometrics methods. Such spectra were compared qualitatively using principal component analysis (PCA) and quantitatively using partial least squares (PLS) and least squares-support vector machine (LS-SVM) models. We discriminated among the four sets of yam data using PCA, and the NIR data performed somewhat better than the mid-IR data. We constructed the PLS and LS-SVM calibration models for the prediction of the three key variables, and the LS-SVM model produced better results. Also, the NIR prediction model produced better outcomes than the mid-IR prediction model. Thus, both infrared (IR) techniques performed well for the analysis of the three key analytes, and the samples were qualitatively discriminated according to their provinces of origin. Both techniques may be recommended for the analysis of Chinese yams, although the NIR technique would be preferred. PMID:25742643

  15. Traditional Chinese herbal medicine.

    PubMed

    Zhu, Y P; Woerdenbag, H J

    1995-07-28

    Herbal medicine, acupuncture and moxibustion, and massage are the three major constituent parts of traditional Chinese medicine. Although acupuncture is well known in many Western countries, Chinese herbal medicine, the most important part of traditional Chinese medicine, is less well known in the West. This article gives a brief introduction to the written history, theory, and teaching of Chinese herbal medicine in China. It also describes modern scientific research into and the quality control of Chinese herbal medicines in China. Some examples of how new drugs derived from Chinese herbs have been developed on the basis of traditional therapeutic experience are presented. Finally, the situation of Chinese herbal medicine in the West is discussed. PMID:7581215

  16. Methods for improving accuracy and extending results beyond periods covered by traditional ground-truth in remote sensing classification of a complex landscape

    NASA Astrophysics Data System (ADS)

    Mueller-Warrant, George W.; Whittaker, Gerald W.; Banowetz, Gary M.; Griffith, Stephen M.; Barnhart, Bradley L.

    2015-06-01

    Successful development of approaches to quantify impacts of diverse landuse and associated agricultural management practices on ecosystem services is frequently limited by lack of historical and contemporary landuse data. We hypothesized that ground truth data from one year could be used to extrapolate previous or future landuse in a complex landscape where cropping systems do not generally change greatly from year to year because the majority of crops are established perennials or the same annual crops grown on the same fields over multiple years. Prior to testing this hypothesis, it was first necessary to classify 57 major landuses in the Willamette Valley of western Oregon from 2005 to 2011 using normal same year ground-truth, elaborating on previously published work and traditional sources such as Cropland Data Layers (CDL) to more fully include minor crops grown in the region. Available remote sensing data included Landsat, MODIS 16-day composites, and National Aerial Imagery Program (NAIP) imagery, all of which were resampled to a common 30 m resolution. The frequent presence of clouds and Landsat7 scan line gaps forced us to conduct of series of separate classifications in each year, which were then merged by choosing whichever classification used the highest number of cloud- and gap-free bands at any given pixel. Procedures adopted to improve accuracy beyond that achieved by maximum likelihood pixel classification included majority-rule reclassification of pixels within 91,442 Common Land Unit (CLU) polygons, smoothing and aggregation of areas outside the CLU polygons, and majority-rule reclassification over time of forest and urban development areas. Final classifications in all seven years separated annually disturbed agriculture, established perennial crops, forest, and urban development from each other at 90 to 95% overall 4-class validation accuracy. In the most successful use of subsequent year ground-truth data to classify prior year landuse, an overall 57-class accuracy of 75% was achieved despite the omission of 10 entire classes, most of which were annually disturbed or perennial crops grown on very few fields. Synthetic ground-truth data for the 2004 harvest year based on the most common landuse classes over the following 7 years classified 49 of 57 categories at an overall accuracy of 96% in a final version that included CLU polygon majority rule, default smoothing and aggregation, and forcing of urban development and forest from multi-year majority-rule.

  17. Validation of a near-infrared transmission spectroscopic procedure. Part B: Application to alternate content uniformity and release assay methods for pharmaceutical solid dosage forms.

    PubMed

    Ritchie, Gary E; Roller, Robert W; Ciurczak, Emil W; Mark, Howard; Tso, Cindy; MacDonald, Stacy A

    2002-06-20

    NIR analytical methods can be validated to meet the requirement of demonstrating that it is suitable for the analysis of the materials for which it is being used. Applying previously described protocols for NIR methods to the analysis of two types of pharmaceutical products shows that for these products, NIR is suitable as an alternate analytical method for assay and for content uniformity. PMID:12062675

  18. Menorrhagia Management in Iranian Traditional Medicine.

    PubMed

    Tansaz, Mojgan; Memarzadehzavareh, Hajar; Qaraaty, Marzieh; Eftekhar, Tahereh; Tabarrai, Malihe; Kamalinejad, Mohammad

    2016-01-01

    Menorrhagia is a common problem. Medical management for menorrhagia includes hormonal and nonhormonal treatments. These treatments have different side effects, which reduce quality of life. Complementary and traditional medicines have been used to handle menorrhagia for centuries in many cultures. There is a lot of information and data in Iranian traditional documents or books about medicinal herbs that are used by Iranian traditional medicine scientists for the treatment of menorrhagia. The aim of this study was to review the approaches to menorrhagia in Iranian traditional medicine texts. In this study, some main Iranian traditional medicine manuscripts including Canon of Medicine and Al-Havi of Rhazes were studied to extract important information about menorrhagia management. Iranian traditional medicine physicians have relied on an organized system of etiological theories and treatments for menorrhagia. Their methods for menorrhagia management may be able to convince the desire of many women to preserve their uterus and avoid hormonal therapy. PMID:26072222

  19. [Spectroscopic and dynamical studies of highly energized small polyatomic molecules]. Technical progress report, February 1, 1990--June 30, 1992

    SciTech Connect

    Not Available

    1992-12-31

    Stimulated emission pumping (SEP) spectroscopy was used on acetylene and on formyl radical. An attempt was made for pattern recognition based on statistics; a method was invented that combined CNPI (complete nuclear permutation-inversion) group theory and SCC (spectral cross-correlation). But the direction away from statistical pattern recognition back to traditional spectroscopic pattern recognition was taken. Vibrational states and quantum numbers are discussed. For the formyl radical, the fluorescence excitation spectrum was recorded and a rotational analysis of the 0{sup 0}{sub 0} band performed.

  20. Development of a Moodle Course for Schoolchildren's Table Tennis Learning Based on Competence Motivation Theory: Its Effectiveness in Comparison to Traditional Training Method

    ERIC Educational Resources Information Center

    Zou, Junhua; Liu, Qingtang; Yang, Zongkai

    2012-01-01

    Based on Competence Motivation Theory (CMT), a Moodle course for schoolchildren's table tennis learning was developed (The URL is http://www.bssepp.com, and this course allows guest access). The effects of the course on students' knowledge, perceived competence and interest were evaluated through quantitative methods. The sample of the study

  1. Co-Teaching: A Mixed Methods Study of the Effectiveness of a Secondary Co-Taught Classroom versus a Traditional Model

    ERIC Educational Resources Information Center

    Chilcoat, Eric R.

    2011-01-01

    Due to numerous mandates in the educational field, it is imperative to schools that teachers incorporate effective instructional methods to reach the diverse student population within a classroom. One way some educators have chosen to meet these challenges is by using the co-teaching model. In this setting, two or more teachers work in a…

  2. Co-Teaching: A Mixed Methods Study of the Effectiveness of a Secondary Co-Taught Classroom versus a Traditional Model

    ERIC Educational Resources Information Center

    Chilcoat, Eric R.

    2011-01-01

    Due to numerous mandates in the educational field, it is imperative to schools that teachers incorporate effective instructional methods to reach the diverse student population within a classroom. One way some educators have chosen to meet these challenges is by using the co-teaching model. In this setting, two or more teachers work in a

  3. Development of a Moodle Course for Schoolchildren's Table Tennis Learning Based on Competence Motivation Theory: Its Effectiveness in Comparison to Traditional Training Method

    ERIC Educational Resources Information Center

    Zou, Junhua; Liu, Qingtang; Yang, Zongkai

    2012-01-01

    Based on Competence Motivation Theory (CMT), a Moodle course for schoolchildren's table tennis learning was developed (The URL is http://www.bssepp.com, and this course allows guest access). The effects of the course on students' knowledge, perceived competence and interest were evaluated through quantitative methods. The sample of the study…

  4. In Defense of Tradition.

    ERIC Educational Resources Information Center

    Pekich, John

    A disturbing trend is developing in higher education which may jeopardize the quality and importance of the classical tradition in education. This trend is exemplified by demands that the liberal arts be made relevant and comprehensible to the student and that they be related in some way to the search for a good job. The great classical…

  5. Non-Traditional Wraps

    ERIC Educational Resources Information Center

    Owens, Buffy

    2009-01-01

    This article presents a recipe for non-traditional wraps. In this article, the author describes how adults and children can help with the recipe and the skills involved with this recipe. The bigger role that children can play in the making of the item the more they are apt to try new things and appreciate the texture and taste.

  6. Child Psychotherapy: Converging Traditions

    ERIC Educational Resources Information Center

    Altman, Neil

    2004-01-01

    In this paper I outline some of the ways in which I believe the psychoanalytic traditions in North America and in Great Britain are influencing each other. I identify points of convergence and divergence at this moment in the evolution of psychoanalytic theory and technique. I then point out some of the implications of relational perspectives in

  7. The Traditional Rebel.

    ERIC Educational Resources Information Center

    Lemansky, Janet

    1993-01-01

    Outlines the Linden, New Jersey, schools' introduction and use of electronic musical technology and contemporary instruments in the orchestral music program, which has broadened the musical repertoire and the recruitment of talented students not schooled in the classical tradition. Four applications of technology for rehearsals and instrumental

  8. Traditional Cherokee Food.

    ERIC Educational Resources Information Center

    Hendrix, Janey B.

    A collection for children and teachers of traditional Cherokee recipes emphasizes the art, rather than the science, of cooking. The hand-printed, illustrated format is designed to communicate the feeling of Cherokee history and culture and to encourage readers to collect and add family recipes. The cookbook could be used as a starting point for

  9. A Comparison of Spectroscopic versus Imaging Techniques for Detecting Close Companions to Kepler Objects of Interest

    NASA Astrophysics Data System (ADS)

    Teske, Johanna K.; Everett, Mark E.; Hirsch, Lea; Furlan, Elise; Horch, Elliott P.; Howell, Steve B.; Ciardi, David R.; Gonzales, Erica; Crepp, Justin R.

    2015-11-01

    Kepler planet candidates require both spectroscopic and imaging follow-up observations to rule out false positives and detect blended stars. Traditionally, spectroscopy and high-resolution imaging have probed different host star companion parameter spaces, the former detecting tight binaries and the latter detecting wider bound companions as well as chance background stars. In this paper, we examine a sample of 11 Kepler host stars with companions detected by two techniques—near-infrared adaptive optics and/or optical speckle interferometry imaging, and a new spectroscopic deblending method. We compare the companion effective temperatures (Teff) and flux ratios (FB/FA, where A is the primary and B is the companion) derived from each technique and find no cases where both companion parameters agree within 1σ errors. In 3/11 cases the companion Teff values agree within 1σ errors, and in 2/11 cases the companion FB/FA values agree within 1σ errors. Examining each Kepler system individually considering multiple avenues (isochrone mapping, contrast curves, probability of being bound), we suggest two cases for which the techniques most likely agree in their companion detections (detect the same companion star). Overall, our results support the advantage that the spectroscopic deblending technique has for finding very close-in companions (θ ≲ 0.″02-0.″05) that are not easily detectable with imaging. However, we also specifically show how high-contrast AO and speckle imaging observations detect companions at larger separations (θ ≥ 0.″02-0.″05) that are missed by the spectroscopic technique, provide additional information for characterizing the companion and its potential contamination (e.g., position angle, separation, magnitude differences), and cover a wider range of primary star effective temperatures. The investigation presented here illustrates the utility of combining the two techniques to reveal higher-order multiples in known planet-hosting systems.

  10. Effect of variety and processing method on functional properties of traditional sweet potato flour ("elubo") and sensory acceptability of cooked paste ("amala").

    PubMed

    Fetuga, Ganiyat; Tomlins, Keith; Henshaw, Folake; Idowu, Michael

    2014-11-01

    "Amala" is a generic term in Nigeria, used to describe a thick paste prepared by stirring flour ("elubo") from yam, cassava or unripe plantain, in hot water, to form a smooth consistency. In order to overcome its high perishability and increase the utilization of sweet potato roots, three varieties of sweet potato roots were processed into flour using two methods. The interactive effect of variety and the processing method had a significant effect (P<0.05) on all the functional properties of the flour except yellowness, setback viscosity, and peak time. Acceptable sweet potato "amala" with average sensory acceptability score of 7.5 were obtained from yellow-fleshed varieties irrespective of the processing method. Flour that produced acceptable "amala" were characterized by lower values of protein (2.20-3.94%), fiber (1.30-1.65%), total sugar (12.41-38.83?g/mg), water absorption capacity (168-215g/100g), water solubility (8.29-14.65%), swelling power (0.52-0.82g/g), and higher peak time (6.9-8.7min). PMID:25493186

  11. Effect of variety and processing method on functional properties of traditional sweet potato flour (elubo) and sensory acceptability of cooked paste (amala)

    PubMed Central

    Fetuga, Ganiyat; Tomlins, Keith; Henshaw, Folake; Idowu, Michael

    2014-01-01

    Amala is a generic term in Nigeria, used to describe a thick paste prepared by stirring flour (elubo) from yam, cassava or unripe plantain, in hot water, to form a smooth consistency. In order to overcome its high perishability and increase the utilization of sweet potato roots, three varieties of sweet potato roots were processed into flour using two methods. The interactive effect of variety and the processing method had a significant effect (P<0.05) on all the functional properties of the flour except yellowness, setback viscosity, and peak time. Acceptable sweet potato amala with average sensory acceptability score of 7.5 were obtained from yellow-fleshed varieties irrespective of the processing method. Flour that produced acceptable amala were characterized by lower values of protein (2.203.94%), fiber (1.301.65%), total sugar (12.4138.83?g/mg), water absorption capacity (168215g/100g), water solubility (8.2914.65%), swelling power (0.520.82g/g), and higher peak time (6.98.7min). PMID:25493186

  12. How effective are traditional methods of compositional analysis in providing an accurate material balance for a range of softwood derived residues?

    PubMed Central

    2013-01-01

    Background Forest residues represent an abundant and sustainable source of biomass which could be used as a biorefinery feedstock. Due to the heterogeneity of forest residues, such as hog fuel and bark, one of the expected challenges is to obtain an accurate material balance of these feedstocks. Current compositional analytical methods have been standardised for more homogenous feedstocks such as white wood and agricultural residues. The described work assessed the accuracy of existing and modified methods on a variety of forest residues both before and after a typical pretreatment process. Results When “traditional” pulp and paper methods were used, the total amount of material that could be quantified in each of the six softwood-derived residues ranged from 88% to 96%. It was apparent that the extractives present in the substrate were most influential in limiting the accuracy of a more representative material balance. This was particularly evident when trying to determine the lignin content, due to the incomplete removal of the extractives, even after a two stage water-ethanol extraction. Residual extractives likely precipitated with the acid insoluble lignin during analysis, contributing to an overestimation of the lignin content. Despite the minor dissolution of hemicellulosic sugars, extraction with mild alkali removed most of the extractives from the bark and improved the raw material mass closure to 95% in comparison to the 88% value obtained after water-ethanol extraction. After pretreatment, the extent of extractive removal and their reaction/precipitation with lignin was heavily dependent on the pretreatment conditions used. The selective removal of extractives and their quantification after a pretreatment proved to be even more challenging. Regardless of the amount of extractives that were originally present, the analytical methods could be refined to provide reproducible quantification of the carbohydrates present in both the starting material and after pretreatment. Conclusion Despite the challenges resulting from the heterogeneity of the initial biomass substrates a reasonable summative mass closure could be obtained before and after steam pretreatment. However, method revision and optimisation was required, particularly the effective removal of extractives, to ensure that representative and reproducible values for the major lignin and carbohydrate components. PMID:23800175

  13. Supporting traditional instructional methods with a constructivist approach to learning: Promoting conceputal change and understanding of stoichiometry using e-learning tools

    NASA Astrophysics Data System (ADS)

    Abayan, Kenneth Munoz

    Stoichiometry is a fundamental topic in chemistry that measures a quantifiable relationship between atoms, molecules, etc. Stoichiometry is usually taught using expository teaching methods. Students are passively given information, in the hopes they will retain the transmission of information to be able to solve stoichiometry problems masterfully. Cognitive science research has shown that this kind of instructional teaching method is not very effecting in meaningful learning practice. Instead, students must take ownership of their learning. The students need to actively construct their own knowledge by receiving, interpreting, integrating and reorganizing that information into their own mental schemas. In the absence of active learning practices, tools must be created in such a way to be able to scaffold difficult problems by encoding opportunities necessary to make the construction of knowledge memorable, thereby creating a usable knowledge base. Using an online e-learning tool and its potential to create a dynamic and interactive learning environment may facilitate the learning of stoichiometry. The study entailed requests from volunteer students, IRB consent form, a baseline questionnaire, random assignment of treatment, pre- and post-test assessment, and post assessment survey. These activities were given online. A stoichiometry-based assessment was given in a proctored examination at the University of Texas at Arlington (UTA) campus. The volunteer students who took part in these studies were at least 18 of age and were enrolled in General Chemistry 1441, at the University of Texas at Arlington. Each participant gave their informed consent to use their data in the following study. Students were randomly assigned to one of 4 treatments groups based on teaching methodology, (Dimensional Analysis, Operational Method, Ratios and Proportions) and a control group who just received instruction through lecture only. In this study, an e-learning tool was created to demonstrate several methodologies, on how to solve stoichiometry, which are all supported by chemical education research. Comparisons of student performance based on pre- and post-test assessment, and a stoichiometry-based examination was done to determine if the information provided within the e-learning tool yielded greater learning outcomes compared to the students in the absence of scaffold learning material. The e-learning tool was created to help scaffold the problem solving process necessary to help students (N=394) solve stoichiometry problems. Therein the study investigated possible predictors for success on a stoichiometry based examination, students' conceptual understanding of solving stoichiometry problems, and their explanation of reasoning. It was found that the way the student answered a given stoichiometry question (i.e. whether the student used dimensional analysis, operational method or any other process) was not statistically relevant (p=0.05). More importantly, if the students were able to describe their thought process clearly, these students scored significantly higher on stoichiometry test (mean 84, p<0.05). This finding has major implications in teaching the topic, as lecturers tend to stress and focus on the method rather than the process on how to solve stoichiometry problems.

  14. Validating Raman spectroscopic calibrations of phonon deformation potentials in silicon single crystals: A comparison between ball-on-ring and micro-indentation methods

    NASA Astrophysics Data System (ADS)

    Miyatake, Takahiro; Pezzotti, Giuseppe

    2011-11-01

    Of main interest in the present work is a quantitative comparison between the phonon deformation potential (PDP) values determined for silicon single crystals by two different calibration methods: (i) a macroscopic method exploiting the stress field developed in a ball-on-ring (biaxial) bending configuration; and (ii) a microscopic method using the residual stress field stored around an indentation print. A comparison between the two methods helps to establish the reliability limits for experimental stress analyses in the (001), (011), and (111) planes of silicon devices by means of polarized Raman spectroscopy. Emphasis is also placed on evaluating the degree of precision involved with using a closed-form equation (i.e., as proposed by other authors), which describes the stress state when different crystallographic planes of the Si sample are loaded in the ball-on- ring jig. A comparison between stress profiles obtained by such equations and those computed by the finite element method (FEM) in the loaded disk reveals a clear discrepancy for the (011) plane. Such a discrepancy could be attributed to elastic coupling and anisotropic effects (particularly relevant along the <011> direction), which can lead to errors up to 15% in computing the stress field stored in the silicon lattice.

  15. Validated spectrophotometric method for the determination, spectroscopic characterization and thermal structural analysis of duloxetine with 1,2-naphthoquinone-4-sulphonate

    NASA Astrophysics Data System (ADS)

    Ulu, Sevgi Tatar; Elmali, Fikriye Tuncel

    2012-03-01

    A novel, selective, sensitive and simple spectrophotometric method was developed and validated for the determination of the antidepressant duloxetine hydrochloride in pharmaceutical preparation. The method was based on the reaction of duloxetine hydrochloride with 1,2-naphthoquinone-4-sulphonate (NQS) in alkaline media to yield orange colored product. The formation of this complex was also confirmed by UV-visible, FTIR, 1H NMR, Mass spectra techniques and thermal analysis. This method was validated for various parameters according to ICH guidelines. Beer's law is obeyed in a range of 5.0-60 μg/mL at the maximum absorption wavelength of 480 nm. The detection limit is 0.99 μg/mL and the recovery rate is in a range of 98.10-99.57%. The proposed methods was validated and applied to the determination of duloxetine hydrochloride in pharmaceutical preparation. The results were statistically analyzed and compared to those of a reference UV spectrophotometric method.

  16. A prospective comparative study to evaluate the utility of lung ultrasonography to improve the accuracy of traditional clinical methods to confirm position of left sided double lumen tube in elective thoracic surgeries

    PubMed Central

    Parab, Swapnil Y; Divatia, Jigishu V; Chogle, Apurva

    2015-01-01

    Background and Aims: Traditional clinical methods like auscultation or inspection have been found to be inaccurate in confirmation of double-lumen tube (DLT) position. Lung ultrasonography (USG) reliably identifies the tidal movement (lung sliding) and the collapse of the lung (lung pulse). We intended to check whether the accuracy of clinical methods can be improved by the addition of USG in confirmation of left DLT (LDLT) position. Methods: A single centred, prospective, comparative study was conducted involving 70 patients undergoing thoracic surgeries requiring the use of LDLT. The patients were assigned to Group A - where LDLT position was assessed by using clinical methods alone, and Group B - where LDLT position was assessed by USG and clinical methods. The correct position was predicted when USG demonstrated the absence of lung sliding and the presence of lung pulse on the operative side, the presence of lung sliding on non-operative side, along with normal airway pressures and oxygenation. The final verification of LDLT position was done by direct observation of lung isolation by one surgeon who was blinded to the method of confirmation. Contingency tables were drawn to calculate sensitivity, specificity, positive predictive value, negative predictive value and accuracy of each method. Results: Compared to clinical methods alone, addition of lung USG improved sensitivity (75% vs. 88%), specificity (18% vs. 75%) and accuracy (57% vs. 85%) for correct prediction of LDLT position. Conclusion: USG is a useful addition to the armamentarium of anaesthesiologist for the confirmation of LDLT position. PMID:26379290

  17. [Children and traditional practices].

    PubMed

    Aholi, P

    1990-07-01

    African traditional practices can be both beneficial and harmful to the newly born. This article describes these practices from 4 perspectives: 1) the period following childbirth or "maternage;" 2) nutrition; 3) curative care; and 4) social customs. The beneficial practices include: 1) giving the baby water as soon as he is washed to prevent neonatal hypoglycemia; 2) breast feeding; 3) carrying the baby on the mother's back and 4) the traditional massage. The harmful practices during maternage include: 1) the baby is rolled in the dirt to protect him and "give birth to his race;" 2) after birth the baby is given lemon juice or gin to prevent the obstruction of the respiratory cords; 3) mother and baby are "put in the dark" or a separate room for the rest of the family and community for 6 days to protect them against evil influences. The harmful nutritional practices are based on superstitions that relate to all animal products because they might produce diseases. 1) Eggs are known to cause diarrhea and throughout Africa eggs are forbidden because of their effect on children's physical development. 2) Chicken and pigeon and "everything that flies" causes convulsions. 3) Palm oil, oranges and bananas cause coughing. 4) Sugar cane, manioc leaves and everything with natural sugar cause intestinal ailments. Traditional health cures are used during an illness and are aimed at reestablishing the balance between man and his environment. Examples described include treatment for measles and chicken pox; fevers; diarrhea, and vomiting and convulsions. The positive traditional African practices need to be combined with those of modern medicine while discouraging the harmful practices. PMID:12342828

  18. Near-infrared spectroscopic method for the identification of Fusarium head blight damage and prediction of deoxynivalenol in single wheat kernels

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Fusarium Head Blight (FHB), or scab, can result in significant crop yield losses and contaminated grain in wheat (Triticum aestivum L.). Growing less susceptible varieties is one of the most effective methods for managing FHB and for reducing deoxynivalenol (DON) levels in grain, but breeding progra...

  19. Spectroscopic Databases for Astronomical Applications

    NASA Astrophysics Data System (ADS)

    Brown, L. R.

    2011-05-01

    Astronomers detect new species (atoms, molecules, ions, radicals present in gas, liquid and solid phase) and determine their abundances, temperatures, pressures, velocities etc. through spectroscopic remote sensing. Nearly every physical phenomenon that in uences the radiative transfer of an astronomical body can be detected and quantified using specific spectral features, provided sufficient spectroscopic knowledge is available. Collections of spectroscopic information are formed and then revised as new objectives and techniques evolve. The resulting spectroscopic databases should be complete, accurate and organized in convenient forms. Much is accessible for far- and mid-IR applications, but the available compilations are often deficient at shorter wavelengths. In this presentation, the current status of these molecular spectroscopic databases will be reviewed.

  20. Adjusted blank correction method for UV-vis spectroscopic analysis of PTIO-coated filters used in nitrogen oxide passive samplers

    NASA Astrophysics Data System (ADS)

    DeForest Hauser, Cindy; Battle, Paul; Mace, Nina

    Passive sampling devices are popular in applications which do not require the monitoring of hourly concentrations. Nitrogen oxides are often collected using filters coated with 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (PTIO). The filter extract can then be analyzed using flow injection analysis ion chromatography fitted with a copper/cadmium reduction column or UV-vis spectroscopy. When the latter is used to measure low concentrations of nitrogen oxides, absorbance by PTIO at the analytical wavelength of 545 nm contributes significantly. PTIO concentration on the filter also shows variation with filter storage and exposure time not accounted for in a single point blank subtraction at the analytical wavelength. A method is presented that uses a scaling factor to account for variations in concentration of PTIO on the field blank and provides a more accurate method for determining and correcting for the PTIO contribution to absorption when measuring ambient nitrogen oxide concentrations.

  1. New validated liquid chromatographic and chemometrics-assisted UV spectroscopic methods for the determination of two multicomponent cough mixtures in syrup.

    PubMed

    Hadad, Ghada M; El-Gindy, Alaa; Mahmoud, Waleed M M

    2008-01-01

    Multivariate spectrophotometric calibration and liquid chromatographic (LC) methods were applied to the determination of 2 multicomponent mixtures containing diprophylline, guaiphenesin, methylparaben, and propylparaben (Mixture 1), or clobutinol, orciprenaline, saccharin sodium, and sodium benzoate (Mixture 2). For the multivariate spectrophotometric calibration methods, principal component regression (PCR) and partial least-squares regression (PLS-1), a calibration set of the mixtures consisting of the components of each mixture was prepared in 0.1 M HCl. Analytical figures of merit such as sensitivity, selectivity, limit of quantitation, and limit of detection were determined for both PLS-1 and PCR. The LC separation was achieved on a reversed-phase C18 analytical column by using isocratic elution with 20 mM potassium dihydrogen phosphate, pH 3.3-acetonitrile (55 + 45, v/v) as the mobile phase and UV detection at 260 and 220 nm for Mixture 1 and Mixture 2, respectively. The proposed methods were validated and successfully applied to the analysis of pharmaceutical formulations and laboratory-prepared mixtures containing the 2 multicomponent combinations. PMID:18376584

  2. Raman spectroscopic analysis of cyanogenic glucosides in plants: development of a flow injection surface-enhanced Raman scatter (FI-SERS) method for determination of cyanide.

    PubMed

    Thygesen, Lisbeth Garbrecht; Jrgensen, Kirsten; Mller, Birger Lindberg; Engelsen, Sren Balling

    2004-02-01

    Cyanogenic glucosides were studied using Raman spectroscopy. Spectra of the crystal forms of linamarin, linustatin, neolinustatin, amygdalin, sambunigrin, and dhurrin were obtained using a Raman spectrograph microscope equipped with a 532 nm laser. The position of the signal from the C identical with N triple bond of the cyanohydrin group was influenced by the nature of the side group and was above 2240 cm(-1) for the three cyanogenic glucosides that contain a neighboring aromatic ring, and below or partially below 2240 cm(-1) for the non-aromatic cyanoglucosides. Signals from the CN bond of linamarin/lotaustralin in leaves and roots from a medium cyanogenic cassava variety were obtained in situ using a Fourier transform near-infrared (FT-NIR) Raman interferometer with a 1064 nm laser, but the signal was very weak and difficult to obtain. A spectrum containing a signal from the CN bond of dhurrin in a freeze-dried sorghum leaf was also obtained using this instrument. Surface-enhanced Raman Spectroscopy (SERS) was demonstrated to be a more sensitive method that enabled determination of the cyanogenic potential of plant tissue. The SERS method was optimized by flow injection (FI) using a colloidal gold dispersion as effluent. Potential problems and pitfalls of the method are discussed. PMID:15000716

  3. Exploring supervised neighborhood preserving embedding (SNPE) as a nonlinear feature extraction method for vibrational spectroscopic discrimination of agricultural samples according to geographical origins.

    PubMed

    Lee, Sanguk; Hwang, Jinyoung; Lee, Hyeseon; Chung, Hoeil

    2015-11-01

    Supervised neighborhood preserving embedding (SNPE), a nonlinear dimensionality reduction method, was employed to represent near-infrared (NIR) and Raman spectral features of agricultural samples (Angelica gigas, sesame, and red pepper), and the newly constructed variables were used to discriminate their geographical origins. This study was done to evaluate the potential of SNPE for recognizing minute spectral differences between classes by preserving local relationships, in comparison with widely adopted linear feature representation methods such as principal component analysis (PCA) and partial least squares (PLS). For this purpose, diffuse reflectance NIR spectral datasets of Angelica gigas, sesame, and red pepper, and a Raman spectral dataset of the same red pepper were prepared. The spectra were represented into new variables in reduced dimensions by PCA, PLS, neighborhood preserving embedding (NPE), and SNPE, and the represented variables were used to determine the geographical origins of samples by using the k-nearest neighbor (k-NN) and support vector machine (SVM). The combination of SNPE and SVM differentiated the geographical origins with improved accuracy. Overall results demonstrate that SNPE is a valuable alternative feature representation method, especially when complex and highly overlapping vibrational spectra are used for analysis. PMID:26452914

  4. Age Determinations of Early-M Type Pre-Main Sequence Stars Using a High-Resolution Near-Infrared Spectroscopic Method

    NASA Astrophysics Data System (ADS)

    Takagi, Yuhei; Itoh, Yoichi; Oasa, Yumiko; Sugitani, Koji

    2011-06-01

    We present a method for determining the age of early-M type pre-main sequence (PMS) stars based on estimations of the surface gravity. The surface gravity was measured using high-resolution near-infrared K-band spectroscopy. The age of the PMS stars can be determined from the surface gravity, which correlates with the photospheric contraction. To estimate the surface gravity while avoiding veiling contamination, we developed a surface gravity indicator using equivalent width ratios (EWRs) of nearby absorption lines. We derived a relationship between the ratios of the Sc (22057.8 and 22071.3 ) and Na (22062.4 and 22089.7 ) absorption lines and the surface gravity by observing giants and main-sequence stars. The surface gravities of early-M type stars were determined with an accuracy of 0.1 in logg. The ages of target PMS stars were estimated within a factor of 1.5 by comparing the surface gravity with the evolution model of Baraffe et al. (1998, A&A, 337, 403). The ages of 4 PMS stars were estimated to be older than indicated by previous age determinations made using the photometric method. The EWR method allows estimating the age of PMS stars without contaminating the uncertainty of the distance, extinction, and veiling.

  5. Spectroscopic Detection of Caries Lesions

    PubMed Central

    Ruohonen, Mika; Palo, Katri; Alander, Jarmo

    2013-01-01

    Background. A caries lesion causes changes in the optical properties of the affected tissue. Currently a caries lesion can be detected only at a relatively late stage of development. Caries diagnosis also suffers from high interobserver variance. Methods. This is a pilot study to test the suitability of an optical diffuse reflectance spectroscopy for caries diagnosis. Reflectance visible/near-infrared spectroscopy (VIS/NIRS) was used to measure caries lesions and healthy enamel on extracted human teeth. The results were analysed with a computational algorithm in order to find a rule-based classification method to detect caries lesions. Results. The classification indicated that the measured points of enamel could be assigned to one of three classes: healthy enamel, a caries lesion, and stained healthy enamel. The features that enabled this were consistent with theory. Conclusions. It seems that spectroscopic measurements can help to reduce false positives at in vitro setting. However, further research is required to evaluate the strength of the evidence for the method's performance.

  6. Spectroscopic (FT-IR, FT-Raman, FT-NMR and UV-Vis) investigation on benzil dioxime using quantum computational methods

    NASA Astrophysics Data System (ADS)

    Bakkiyaraj, D.; Periandy, S.; Xavier, S.

    2016-03-01

    The spectral analysis of benzil dioxime is carried out using the FTIR, FT Raman, FT NMR and UV-Vis spectra of the compound with the help of quantum computations by density functional theories. The FT-IR (4000 - 400 cm-1) and FT-Raman (4000-100 cm-1) spectra are recorded in solid phase, the 1H and 13C NMR spectra in DMSO phase and the UV spectrum (200-400 nm) in ethanol phase. The different conformers of the compound and their minimum energies are studied by potential energy surface scan, using semi-empirical method PM6. The computed wavenumbers from different methods are scaled so as to agree with the experimental values and the scaling factors are reported. All the fundamental modes have been assigned based on the potential energy distribution (PED) values and the structure the molecule is analyzed interms of parameters like bond length, bond angle and dihedral angles predicted byB3LYP and CAM-B3LYP methods with cc-pVDZ basis sets. The values of dipole moment (μ), polarizability (α) and hyperpolarizability (β) of the molecule are reported, using which the non -linear optical property of the molecule is discussed. The HOMO-LUMO mappings are reported which reveals the different charge transfer possibilities within the molecule. The isotropic chemical shifts predicted for 1H and 13C atoms using gauge invariant atomic orbital (GIAO) theory show good agreement with experimental shifts and the same is discussed in comparison with atomic charges, predicted by Mullikan and APT charge analysis. NBO analysis is carried out to picture the probable electronic transitions in the molecule.

  7. Quantitative spectroscopic imaging of the human brain.

    PubMed

    Pan, J W; Twieg, D B; Hetherington, H P

    1998-09-01

    A method to provide B1 correction and cerebrospinal fluid (CSF) referencing is developed and applied to spectroscopic imaging of the human brain at 4.1 T using a volume head coil. The B1 image allows rapid determination of the spatially dependent B1 that is then used to compensate for the B1 sensitivity of the spectroscopic sequence. The reference signal is acquired from CSF located in a lateral ventricular position using a point-resolved echo spectroscopy (PRESS) acquisition. The CSF spectrum is also corrected for B1 dependence. Together with T2 and T1 corrections, this method is used to provide quantitative values of N-acetylaspartate (NAA), creatine (Cr), and choline (Ch). The metabolite concentrations obtained from a spectroscopic imaging slice through the ventricles in seven normal controls are in good agreement with previously published literature values. This method is applied in a patient with secondary progressive multiple sclerosis, showing separate areas of abnormalities in both NAA and Cr. PMID:9727938

  8. Vibrational spectroscopic studies, normal co-ordinate analysis, first order hyperpolarizability, HOMO-LUMO of midodrine by using density functional methods.

    PubMed

    Shahidha, R; Al-Saadi, Abdulaziz A; Muthu, S

    2015-01-01

    The FTIR (4000-400 cm(-1)), FT-Raman (4000-100 cm(-1)) and UV-Visible (400-200 nm) spectra of midodrine were recorded in the condensed state. The complete vibrational frequencies, optimized geometry, intensity of vibrational bands and atomic charges were obtained by using Density Functional Theory (DFT) with the help of 6-311++G(d,p) basis set. The first order hyperpolarizability (?) and related properties (?, ? and ??) of this molecular system were calculated by using DFT/6-311++G(d,p) method based on the finite-field approach. The assignments of the vibrational spectra have been carried out with the help of Normal Co-ordinate Analysis (NCA) following the scaled quantum mechanical force methodology. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using NBO analysis. From the recorded UV-Visible spectrum, the electronic properties such as excitation energies, oscillator strength and wavelength are calculated by DFT in water and gas methods using 6-311++G(d,p) basis set. The calculated HOMO and LUMO energies confirm that charge transfer occurs within the molecule. Besides MEP, NLO and thermodynamic properties were also calculated and interpreted. The electron density-based local reactivity descriptor such as Fukui functions was calculated to explain the chemical selectivity or reactivity site in midodrine. PMID:25011041

  9. Early stage phase separation in pharmaceutical solid dispersion thin films under high humidity: improved spatial understanding using probe-based thermal and spectroscopic nanocharacterization methods.

    PubMed

    Qi, Sheng; Moffat, Jonathan G; Yang, Ziyi

    2013-03-01

    Phase separation in pharmaceutical solid dispersion thin films under high humidity is still poorly understood on the submicrometer scale. This study investigated the phase separation of a model solid dispersion thin film, felodipine-PVP K29/32, prepared by spin-coating and analyzed using probe-based methods including atomic force microscopy, nanothermal analysis, and photothermal infrared microspectroscopy. The combined use of these techniques revealed that the phase separation process occurring in the thin films under high humidity is different from that in dry conditions reported previously. The initial stage of phase separation is primarily initiated in the bulk of the films as amorphous drug domains. Drug migration toward the surface of the solid dispersion film was then observed to occur under exposure to increased humidity. PVP cannot prevent phase separation of felodipine under high humidity but can minimize the crystallization of amorphous felodipine domains in the solid dispersion thin films. This study demonstrates the unique abilities of these nanocharacterization methods for studying, in three dimensions, the phase separation of thin films for pharmaceutical applications. PMID:23320617

  10. Determination of structural and vibrational spectroscopic features of neutral and anion forms of dinicotinic acid by using NMR, infrared and Raman experimental methods combined with DFT and HF

    NASA Astrophysics Data System (ADS)

    Kose, E.; Bardak, F.; Atac, A.; Karabacak, M.; Cipiloglu, M. A.

    2013-10-01

    In this study; the experimental (NMR, infrared and Raman) and theoretical (HF and DFT) analysis of dinicotinic acid were presented. 1H and 13C NMR spectra were recorded in DMSO solution and chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The vibrational spectra of dinicotinic acid were recorded by FT-Raman and FT-IR spectra in the range of 4000-10 cm-1 and 4000-400 cm-1, respectively. To determine the most stable neutral conformer of molecule, the selected torsion angle was changed every 10 and molecular energy profile was calculated from 0 to 360. The geometrical parameters and energies were obtained for all conformers form from density functional theory (DFT/B3LYP) and HF with 6-311++G(d,p) basis set calculations. However, the results of the most stable neutral and two anion forms (anion-1 and anion-2 forms) of dinicotinic acid are reported here. The complete assignments were performed on the basis of the total energy distribution (TED) of the vibrational wavenumbers, calculated with scaled quantum mechanics (SQM) method and PQS program.

  11. Aplisulfamines, New Sulfoxide-Containing Metabolites from an Aplidium Tunicate: Absolute Stereochemistry at Chiral Sulfur and Carbon Atoms Assigned Through an Original Combination of Spectroscopic and Computational Methods

    PubMed Central

    Aiello, Anna; Fattorusso, Ernesto; Imperatore, Concetta; Luciano, Paolo; Menna, Marialuisa; Vitalone, Rocco

    2012-01-01

    Two new sulfoxide-containing metabolites, aplisulfamines A (1) and B (2), have been isolated from an Aplidium sp. collected in the Bay of Naples. Their planar structure and geometry of a double bond were readily determined by using standard methods, mainly NMR spectroscopy. An original approach was used to assign the absolute configuration at the three contiguous chiral centers present in the structures of both aplisulfamines, two at carbon and one at sulfur. This involved Electronic Circular Dichroism (ECD) studies, J-based configuration analysis and Density Functional Theory (DFT) calculations and represents an interesting integration of modern techniques in stereoanalysis, which could contribute to the enhancement of theoretical protocols recently applied to solve stereochemical aspects in structure elucidation. PMID:22363220

  12. Spatially resolved energy dispersive x-ray spectroscopic method for in-situ evaluation of mechanical properties during the growth of a C - Pt composite nanowire

    SciTech Connect

    Banerjee, Amit; Banerjee, S. S.

    2014-05-15

    A core-shell type C-Pt composite nanowire is fabricated using focused ion and electron beam induced chemical vapor deposition techniques. Using information from spatially resolved energy dispersive x-ray spectra, we detect the resonance vibration in the C-Pt composite nanowire. We use this method to measure the Young's moduli of the constituents (C, Pt) of the composite nanowire and also estimate the density of the FEB CVD grown Pt shell surrounding the C core. By measuring the resonance characteristics of the composite nanowire we estimate a Pt shell growth rate of ?0.9 nms{sup ?1}. The study is analyzed to suggest that the Pt shell growth mechanism is primarily governed by the sticking coefficient of the organometallic vapor on the C nanowire core.

  13. Improvement of near infrared spectroscopic (NIRS) analysis of caffeine in roasted Arabica coffee by variable selection method of stability competitive adaptive reweighted sampling (SCARS)

    NASA Astrophysics Data System (ADS)

    Zhang, Xuan; Li, Wei; Yin, Bin; Chen, Weizhong; Kelly, Declan P.; Wang, Xiaoxin; Zheng, Kaiyi; Du, Yiping

    2013-10-01

    Coffee is the most heavily consumed beverage in the world after water, for which quality is a key consideration in commercial trade. Therefore, caffeine content which has a significant effect on the final quality of the coffee products requires to be determined fast and reliably by new analytical techniques. The main purpose of this work was to establish a powerful and practical analytical method based on near infrared spectroscopy (NIRS) and chemometrics for quantitative determination of caffeine content in roasted Arabica coffees. Ground coffee samples within a wide range of roasted levels were analyzed by NIR, meanwhile, in which the caffeine contents were quantitative determined by the most commonly used HPLC-UV method as the reference values. Then calibration models based on chemometric analyses of the NIR spectral data and reference concentrations of coffee samples were developed. Partial least squares (PLS) regression was used to construct the models. Furthermore, diverse spectra pretreatment and variable selection techniques were applied in order to obtain robust and reliable reduced-spectrum regression models. Comparing the respective quality of the different models constructed, the application of second derivative pretreatment and stability competitive adaptive reweighted sampling (SCARS) variable selection provided a notably improved regression model, with root mean square error of cross validation (RMSECV) of 0.375 mg/g and correlation coefficient (R) of 0.918 at PLS factor of 7. An independent test set was used to assess the model, with the root mean square error of prediction (RMSEP) of 0.378 mg/g, mean relative error of 1.976% and mean relative standard deviation (RSD) of 1.707%. Thus, the results provided by the high-quality calibration model revealed the feasibility of NIR spectroscopy for at-line application to predict the caffeine content of unknown roasted coffee samples, thanks to the short analysis time of a few seconds and non-destructive advantages of NIRS.

  14. Infrared and Raman spectroscopic methods for characterization of Taxus baccata L.--Improved taxane isolation by accelerated quality control and process surveillance.

    PubMed

    Gudi, Gennadi; Krhmer, Andrea; Koudous, Iraj; Strube, Jochen; Schulz, Hartwig

    2015-10-01

    Different yew species contain poisonous taxane alkaloids which serve as resources for semi-synthesis of anticancer drugs. The highly variable amounts of taxanes demand new methods for fast characterization of the raw plant material and the isolation of the target structures during phyto extraction. For that purpose, applicability of different vibrational spectroscopy methods in goods receipt of raw plant material and in process control was investigated and demonstrated in online tracking isolation and purification of the target taxane 10-deacetylbaccatin III (10-DAB) during solvent extraction. Applying near (NIRS) and mid infrared spectroscopy (IRS) the amount of botanical impurities in mixed samples of two different yew species (R(2)=0.993), the leave-to-wood ratio for Taxus baccata material (R(2)=0.94) and moisture in dried yew needles (R(2)=0.997) can be quantified. By partial least square analysis (PCA) needles of different Coniferales species were successfully discriminated by Attenuated Total Reflectance-Fourier-Transform Infrared Spectroscopy (ATR-FT-IR). The analytical potential of ATR-FT-IR and Fourier Transform-Raman Spectroscopy (FT-RS) in process control of extraction and purification of taxanes is demonstrated for determination of the water content in methanolic yew extracts (R(2)=0.999) and for quantification of 10-DAB (R(2)=0.98) on a highly sophisticated level. The decrease of 10-DAB in the plant tissue during extraction was successfully visualized by FT-IR imaging of thin cross sections providing new perspectives for process control and design. PMID:26078126

  15. Comparative ab initio studies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods.

    PubMed

    Solomonik, Victor G; Stanton, John F; Boggs, James E

    2008-06-28

    The electronic excitation energies, molecular geometry, quadratic force fields, and vibrational frequencies in the ground (5)Delta(g) and low-lying excited (5)Sigma(g) (+) and (5)Pi(g) electronic states of iron difluoride are studied at sophisticated levels of theory. Two families of basis sets, nonrelativistic and Douglas-Kroll-Hess relativistic, are used that range in quality from triple-zeta to quintuple-zeta. These are augmented by additional diffuse functions (on fluorine atoms) and tight functions (on all atoms) for the description of core-valence correlation and utilized to determine complete basis set molecular properties. The quality of electron correlation treatment using conventional single reference coupled cluster methods CCSD and CCSD(T) is compared to that attained at the multiconfigurational quasidegenerate second-order perturbation theory (CASSCF+MCQDPT2) and the electron attachment equation-of-motion coupled cluster (EOMEA-CCSD) levels. Spin-orbit coupling effects are studied by the SO-MCQDPT2 method using the full Breit-Pauli spin-orbit operator. Effects of spin contamination in the coupled cluster molecular calculations are carefully analyzed. Results of the single reference CCSD(T) and multireference calculations are found to be in a remarkable agreement. The calculations indicate that the EOMEA-CC approach provides a suitable tool for an accurate treatment of FeF(2) and other systems where delicate electron correlation effects have to be carefully dealt with. The inclusion of relativistic effects is shown to be necessary for an accurate description of the molecular geometry and excitation energies of FeF(2). The results of calculations are in good agreement with the experimental data available. The predicted FeF(2) molecular properties are compared to those of the related FeF(3). PMID:18601314

  16. Are AB Initio Quantum Chemistry Methods Able to Predict Vibrational States up to the Dissociation Limit for Multi-Electron Molecules Close to Spectroscopic Accuracy?

    NASA Astrophysics Data System (ADS)

    Szalay, Péter G.; Holka, Filip; Fremont, Julien; Rey, Michael; Tyuterev, Vladimir G.

    2011-06-01

    The aim of the study was to explore the limits of initio methods towards the description of excited vibrational levels up to the dissociation limit for molecules having more than two electrons. To this end a high level ab initio potential energy function was constructed for the four-electron LiH molecule in order to accurately predict a complete set of bound vibrational levels corresponding to the electronic ground state. It was composed from: a) an ab initio non-relativistic potential obtained at the MR-CISD level including size-extensivity corrections and quintuple-sextuple ζ extrapolation of the basis, b) MVD (Mass-velocity-Darwin) relativistic corrections obtained at icMR-CISD/cc-pwCV5Z level, and c) DBOC (Diagonal Born-Oppenheimer correction) obtained at the MR-CISD/cc-pwCVTZ level. Finally, the importance of non-adiabatic effects was also tested by using atomic masses in the vibrational kinetic energy operator and by calculation of non-adiabatic coupling by ab initio methods. The calculated vibrational levels were compared with those obtained from experimental data [J.A. Coxon and C.S. Dickinson, J. Chem. Phys., 2004, 121, 9378]. Our best estimate of the potential curve results in vibrational energies with a RMS deviation of only ˜1 wn\\ for the entire set of all empirically determined vibrational levels known so far. These results represent a drastic improvement over previous theoretical predictions of vibrational levels of ^7LiH up to dissociation, D_0, which was predicted to be 19594 Cm-1. In addition, rotational levels have also been calculated. The RMS deviation between our ab initio calculations and empirical results by Coxon and Dickinson for rotational spacings Δ E = E(v, J = 1)-E(v, J = 0) over all available vibrational states of ^7LiH from v = 0 to v= 20 is 0.010 wn (with nuclear masses) and 0.006 wn (with atomic masses). Note that for high vibrational states with v > 6 this falls within the uncertainty of the measurements.

  17. Spectroscopic and electrical studies on Nd(3+), Zr(4+) ions doped nano-sized BaTiO3 ferroelectrics prepared by sol-gel method.

    PubMed

    Sameera Devi, Ch; Kumar, G S; Prasad, G

    2015-02-01

    Lead free ferroelectric ceramics in the form of Ba(1-3x)Nd(2x)Ti(1-y)ZryO3 ((where x=0.025, y=0 (BT1), 0.025 (BT2), 0.05 (BT3)) were prepared using sol-gel method. The surface morphology and the orientation of grains of the present ceramics were examined using Field Emission Scanning Electron Microscope (FESEM) images. The effect of Nd(3+), Zr(4+) ions content on the BaTiO3 was studied using Raman and Fourier Transform Infrared (FTIR) spectroscopies. From the Raman analysis the band observed at ?838 cm(-1) was attributed due to the presence of Nd(3+)-barium vacancy pairs. The FTIR studies suggested that the addition of Nd(3+) ions in A-site of BaTiO3 (ABO3) perovskite create lattice distortion by forming A-site vacancies and Zr(4+) ions in B-site of BaTiO3 induce the lattice distortion by forming ZrO6 octahedra in the place of TiO6 octahedra. Dielectric measurements of the samples were done at different frequencies from RT-150C. Charge transportation phenomenon is explained using DC conductivity, which is found to increase with temperature. PMID:25448941

  18. Investigation of the adsorption properties of borazine and characterisation of boron nitride on Rh(1 1 1) by electron spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Farkas, A. P.; Trk, P.; Solymosi, F.; Kiss, J.; Knya, Z.

    2015-11-01

    The adsorption and dissociation of borazine were investigated on Rh(1 1 1) single crystal surface by Auger electron spectroscopy (AES), high resolution electron energy loss spectroscopy (HREELS) and temperature programmed desorption (TPD) methods. Borazine is one of the most frequently applied precursor molecules in the preparation process of boron nitride overlayer on metal single crystal surfaces. On Rh(1 1 1) surface it adsorbs molecularly at 140 K. We did not find any preferred orientation, although there is evidence of "flat" and perpendicular molecular geometry, too. Dehydrogenation starts even below 200 K and finishes until ?7-800 K. No other boron or nitrogen containing products were observed in TPD beyond molecular borazine. Through the hydrogen loss of molecules hexagonal boron nitride layer forms in the 600-1100 K temperature range as it was indicated by AES and the characteristic optical phonon HREEL losses of h-BN overlayer. The adsorption behaviour of the boron nitride covered surface was also studied through the adsorption of methanol at 140 K. HREELS and TPD measurements showed that methanol adsorbed molecularly and a fraction of it dissociated to form surface methoxy and gas phase hydrogen on the h-BN/Rh(1 1 1) surface.

  19. Spectroscopic investigation (FTIR spectrum), NBO, HOMO-LUMO energies, NLO and thermodynamic properties of 8-Methyl-N-vanillyl-6-nonenamideby DFT methods.

    PubMed

    Leela, J Sherin Percy Prema; Hemamalini, R; Muthu, S; Al-Saadi, Abdulaziz A

    2015-07-01

    Capsicum a hill grown vegetable is also known as red pepper or chili pepper. Capsaicin(8-Methyl-N-vanillyl-6-nonenamide) is the active component in chili peppers, which is currently used in the treatment of osteoarthritis, psoriasis and cancer. Fourier transform infrared (FT-IR) spectrum of Capsaicin in the solid phase were recorded in the region 4000-400 cm(-1) and analyzed. The vibrational frequencies of the title compound were obtained theoretically by DFT/B3LYP calculations employing the standard 6-311++G(d,p) basis set and were compared with Fourier transform infrared spectrum. Complete vibrational assignment analysis and correlation of the fundamental modes for the title compound were carried out. The vibrational harmonic frequencies were scaled using scale factor, yielding a good agreement between the experimentally recorded and the theoretically calculated values. Stability of the molecule arising from hyper conjugative interactions, charge delocalization and intra molecular hydrogen bond-like weak interaction has been analyzed using Natural bond orbital (NBO) analysis by using B3LYP/6-311++G(d,p) method. The results show that electron density (ED) in the ?? and ?? antibonding orbitals and second-order delocalization energies E (2) confirm the occurrence of intra molecular charge transfer (ICT) within the molecule. The dipole moment (?), polarizability (?) and the hyperpolarizability (?) values of the molecule has been computed. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures were calculated. PMID:25813174

  20. The spectroscopic (FT-IR, FT-Raman), MESP, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 1,5-dimethyl napthalene by density functional method.

    PubMed

    Arivazhagan, M; Subhasini, V P; Kavitha, R; Senthilkumar, R

    2014-10-15

    The Fourier-transform infrared and FT-Raman spectra of 1,5-Dimethyl Napthalene (15DMN) was recorded in the region 4000-400cm(-1) and 3500-50cm(-1) respectively. Quantum chemical calculations of energies, geometrical structure and vibrational wavenumbers of 6M2C were carried out by density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis set. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. The values of the total dipole moment (?) and the first order hyperpolarizability (?) of the investigated compound were computed using B3LYP/6-311++G(d,p) calculations. The calculated results also show that 15DMN might have microscopic non-linear optical, MESP, NBO analysis with non-zero values. A detailed interpretation of infrared and Raman spectra of 15DMN is also reported. The calculated HOMO7-LUMO energy gap shows that charge transfer occur within the molecule. The molecular electrostatic potential map shows that the negative potential sites are on the electronegative atoms as well as the positive potential sites are around the hydrogen atoms. PMID:24915765

  1. Screening the bio-safety of wheat produced from pretreated grains to enhance tolerance against drought using physiological and spectroscopic methods.

    PubMed

    Abdelkader, Amal Fadl; Hassanein, Raifa Ahmed; Abo-Aly, Mohamed Mahmoud; Attia, Mohamed Said; Bakir, Esam Mohamed

    2010-07-01

    Drought is a serious abiotic stress, causes worldwide intensive reduction in crop growth and productivity. Plants in contrast to other organisms, do not enjoy the luxury of being able to change their environment or seeking shelters. In this investigation, wheat grains were pre-soaked for 12h in salicylic acid (SA) and/or thiourea (ThU) prior they were left to grow in dry land (40% field water capacity) until harvest. The bio-safety of the harvested wheat was deduced using technical physiological and spectral methods. The pretreatment using SA up to ( approximately 1.5mmol) viewed homologous protein profile and less flag leaf proline in comparison to the non-stressed wheat. In addition, SA-pretreatment has maintained 70% of the emission intensity of yielded grain. The spectra of FTIR were more or less similar in yielded grain and flag leaf in SA-pretreatment. On the other hand, ThU pretreatment induced varied protein profile, higher proline than normal, reduced the fluorescence emission intensity by 52%, and induced varied FTIR spectra. Pretreatment of SA not only has enhanced wheat productivity but also increased yield and straw productions even above the non-treated-non-stressed wheat plant. In contrast to ThU SA was considered safe for drought-stress alleviation in crop plant agriculture. PMID:20398722

  2. Elemental and structural analysis of silicon forms in herbal drugs using silicon-29 MAS NMR and WD-XRF spectroscopic methods.

    PubMed

    Pajchel, L; Nykiel, P; Kolodziejski, W

    2011-12-01

    The objective of this work was to study concentration of silicon and its structural forms present in herbal drugs. Equisetum arvense and Urtica dioica L. from teapot bags, dietary supplements (tablets and capsules) containing those herbs, dry extract obtained from a teapot bag of E. arvense, and samples of the latter herb harvested in wild habitat over four months were studied using wavelength dispersive X-ray spectroscopy (WD-XRF) and high-resolution solid-state (29)Si NMR. The highest concentration of Si, ca. 27mg/g, was found in the herbal material from the teapot bags containing E. arvense. The Si content in natural E. arvense (whole plants) increased from May to August by ca. 7mg/g, reaching value 26mg/g. Three different silicon forms were detected in the studied herbal samples: Si(OSi)4 (Q(4)), Si(OH)(OSi)3 (Q(3)) and Si(OH)2(OSi)2 (Q(2)). Those sites were populated in E. arvense in the following order: Q(4)≫Q(3)>Q(2). A dramatic, ca. 50-fold decrease of the Si concentration during the infusion process was observed. The infusion process and the subsequent drying procedure augmented population of the Q(4) sites at the cost of the Q(2) sites. The WD-XRF and (29)Si NMR methods occurred useful and complementary in the study of herbal materials. PMID:21813258

  3. Study of fluorescence interaction and conformational changes of bovine serum albumin with histamine H₁ -receptor--drug epinastine hydrochloride by spectroscopic and time-resolved fluorescence methods.

    PubMed

    Ariga, Girish G; Naik, Praveen N; Nandibewoor, Sharanappa T; Chimatadar, Shivamurti A

    2015-11-01

    The fluorescence, ultraviolet (UV) absorption, time resolved techniques, circular dichroism (CD), and infrared spectral methods were explored as tools to investigate the interaction between histamine H1 drug, epinastine hydrochloride (EPN), and bovine serum albumin (BSA) under simulated physiological conditions. The experimental results showed that the quenching of the BSA by EPN was static quenching mechanism and also confirmed by lifetime measurements. The value of n close to unity indicated that one molecule of EPN was bound to protein molecule. The binding constants (K) at three different temperatures were calculated (7.1 × 10(4), 5.5 × 10(4), and 3.9 × 10(4) M(-1)). Based on the thermodynamic parameters (ΔH(0), ΔG(0), and ΔS(0)), the nature of binding forces operating between drug and protein was proposed. The site of binding of EPN in the protein was proposed to be Sudlow's site I based on displacement experiments using site markers viz, warfarin, ibuprofen, and digitoxin. Based on the Förster's theory of non-radiation energy transfer, the binding average distance, r between the donor (BSA) and acceptor (EPN) was evaluated and found to be 4.48 nm. The UV-visible, synchronous fluorescence, CD, and three-dimensional fluorescence spectral results revealed the changes in secondary structure of the protein upon its interaction with EPN. PMID:26215421

  4. Are ab initio quantum chemistry methods able to predict vibrational states up to the dissociation limit for multi-electron molecules close to spectroscopic accuracy?

    PubMed

    Szalay, Pter G; Holka, Filip; Fremont, Julien; Rey, Michael; Peterson, Kirk A; Tyuterev, Vladimir G

    2011-03-01

    The aim of the study was to explore the limits of ab initio methods towards the description of excited vibrational levels up to the dissociation limit for molecules having more than two electrons. To this end a high level ab initio potential energy function was constructed for the four-electron LiH molecule in order to accurately predict a complete set of bound vibrational levels corresponding to the electronic ground state. It was composed from: (a) an ab initio non-relativistic potential obtained at the MR-CISD level including size-extensivity corrections and quintuple-sextuple ? extrapolation of the basis, (b) MVD relativistic corrections obtained at icMR-CISD/cc-pwCV5Z level, and (c) DBOC obtained at the MR-CISD/cc-pwCVTZ level. Finally, the importance of non-adiabatic effects was also tested by using atomic masses in the vibrational kinetic energy operator. The calculated vibrational levels were compared with those obtained from experimental data [J. A. Coxon and C. S. Dickinson, J. Chem. Phys., 2004, 121, 9378]. Our best estimate of the potential curve results in vibrational energies with a RMS deviation of only ?1 cm(-1) for the entire set of all empirically determined vibrational levels known so far. These results represent a drastic improvement over previous theoretical predictions of vibrational levels of (7)LiH up to dissociation, D(0), which was predicted to be 19,594 cm(-1). PMID:21180724

  5. Involvement of tyrosine residues in the protomer-protomer interaction of Proteus mirabilis flagella as studied by spectroscopic methods, chemical modification and aggregation experiments.

    PubMed

    Schalch, W; Bode, W

    1975-10-20

    Using spectrophotometrical titration, chemical modification, and ultraviolet difference spectral methods, the existence of at least two distinct tyrosine groups in the isolated flagellin of Proteus mirabilis flagella has been established. Three of the five flagellin tyrosines are buried in the protein matrix, whereas the other two seem to lie on the protein surface accessible to perturbants. Also about two tyrosine residues, presumably the latter ones exposed to the environment, can be nitrated with tetranitromethane in the monomeric flagellin with a concomitant loss of the polymerization ability after about one tyrosine per mol flagellin has been nitrated. Nitrated flagellin, homogeneous with respect to molecular weight, degree of nitration and isoelectric point, could be isolated and characterized. On the other hand, it could be shown that in the polymeric flagellum the phenolic groups of all five tyrosine residues are inaccessible to perturbing and modifying reagents. It seems, therefore, that the integrity of the phenolic groups is necessary for the proper folding and aggregation of the flagellin subunits to form the stable helical flagella. PMID:241412

  6. Improving the classification accuracy for IR spectroscopic diagnosis of stomach and colon malignancy using non-linear spectral feature extraction methods.

    PubMed

    Lee, Sanguk; Kim, Kyoungok; Lee, Hyeseon; Jun, Chi-Hyuck; Chung, Hoeil; Park, Jong-Jae

    2013-07-21

    Non-linear feature extraction methods, neighborhood preserving embedding (NPE) and supervised NPE (SNPE), were employed to effectively represent the IR spectral features of stomach and colon biopsy tissues for classification, and improve the classification accuracy for diagnosis of malignancy. The motivation was to utilize the NPE and SNPE's capability of capturing non-linear spectral behaviors by simultaneously preserving local relationships in order that minute spectral differences among classes would be effectively recognized. NPE and SNPE derive an optimal embedding feature such that the local neighborhood structure can be preserved in reduced spaces (variables). The IR spectra collected from stomach and colon tissues were represented by several new variables through NPE and SNPE, and also by using the principal component analysis (PCA). Then, the feature-extracted variables were subsequently classified into normal, adenoma and cancer tissues by using both k-nearest neighbor (k-NN) and support vector machine (SVM), and the resulting accuracies were compared with each other. In both cases, the combination of SNPE-SVM provided the best classification performance, and the accuracy was substantially improved compared to when PCA-SVM was used. Overall results demonstrate that NPE and SNPE could be potential feature-representation strategies useful in biomedical diagnosis based on vibrational spectroscopy where effective recognition of minute spectral differences is critical. PMID:23687649

  7. Spectroscopic investigation (FTIR spectrum), NBO, HOMO-LUMO energies, NLO and thermodynamic properties of 8-Methyl-N-vanillyl-6-nonenamideby DFT methods

    NASA Astrophysics Data System (ADS)

    Sherin Percy Prema Leela, J.; Hemamalini, R.; Muthu, S.; Al-Saadi, Abdulaziz A.

    2015-07-01

    Capsicum a hill grown vegetable is also known as red pepper or chili pepper. Capsaicin(8-Methyl-N-vanillyl-6-nonenamide) is the active component in chili peppers, which is currently used in the treatment of osteoarthritis, psoriasis and cancer. Fourier transform infrared (FT-IR) spectrum of Capsaicin in the solid phase were recorded in the region 4000-400 cm-1 and analyzed. The vibrational frequencies of the title compound were obtained theoretically by DFT/B3LYP calculations employing the standard 6-311++G(d,p) basis set and were compared with Fourier transform infrared spectrum. Complete vibrational assignment analysis and correlation of the fundamental modes for the title compound were carried out. The vibrational harmonic frequencies were scaled using scale factor, yielding a good agreement between the experimentally recorded and the theoretically calculated values. Stability of the molecule arising from hyper conjugative interactions, charge delocalization and intra molecular hydrogen bond-like weak interaction has been analyzed using Natural bond orbital (NBO) analysis by using B3LYP/6-311++G(d,p) method. The results show that electron density (ED) in the σ∗ and π∗ antibonding orbitals and second-order delocalization energies E (2) confirm the occurrence of intra molecular charge transfer (ICT) within the molecule. The dipole moment (μ), polarizability (α) and the hyperpolarizability (β) values of the molecule has been computed. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures were calculated.

  8. Non-invasive in vivo determination of the carotenoids beta-carotene and lycopene concentrations in the human skin using the Raman spectroscopic method

    NASA Astrophysics Data System (ADS)

    Darvin, M. E.; Gersonde, I.; Meinke, M.; Sterry, W.; Lademann, J.

    2005-08-01

    Resonance Raman spectroscopy was used as a fast and non-invasive optical method of measuring the absolute concentrations of beta-carotene and lycopene in living human skin. Beta-carotene and lycopene have different absorption values at 488 and 514.5 nm and, consequently, the Raman lines for beta-carotene and lycopene have different scattering efficiencies at 488 and 514.5 nm excitations. These differences were used for the determination of the concentrations of beta-carotene and lycopene. Using multiline Ar+ laser excitation, clearly distinguishable carotenoid Raman spectra can be obtained which are superimposed on a large fluorescence background. The Raman signals are characterized by two prominent Stokes lines at 1160 and 1525 cm-1, which have nearly identical relative intensities. Both substances were detected simultaneously. The Raman spectra are obtained rapidly, i.e. within about 10 s, and the required laser light exposure level is well within safety standards. The disturbance of the measurements by non-homogeneous skin pigmentation was avoided by using a relatively large measuring area of 35 mm2. It was shown that beta-carotene and lycopene distribution in human skin strongly depends upon the skin region studied and drastically changed inter-individually. Skin beta-carotene and lycopene concentrations are lower in smokers than in non-smokers and higher in the vegetarian group.

  9. A grid matrix-based Raman spectroscopic method to characterize different cell milieu in biopsied axillary sentinel lymph nodes of breast cancer patients.

    PubMed

    Som, Dipasree; Tak, Megha; Setia, Mohit; Patil, Asawari; Sengupta, Amit; Chilakapati, C Murali Krishna; Srivastava, Anurag; Parmar, Vani; Nair, Nita; Sarin, Rajiv; Badwe, R

    2016-01-01

    Raman spectroscopy which is based upon inelastic scattering of photons has a potential to emerge as a noninvasive bedside in vivo or ex vivo molecular diagnostic tool. There is a need to improve the sensitivity and predictability of Raman spectroscopy. We developed a grid matrix-based tissue mapping protocol to acquire cellular-specific spectra that also involved digital microscopy for localizing malignant and lymphocytic cells in sentinel lymph node biopsy sample. Biosignals acquired from specific cellular milieu were subjected to an advanced supervised analytical method, i.e., cross-correlation and peak-to-peak ratio in addition to PCA and PC-LDA. We observed decreased spectral intensity as well as shift in the spectral peaks of amides and lipid bands in the completely metastatic (cancer cells) lymph nodes with high cellular density. Spectral library of normal lymphocytes and metastatic cancer cells created using the cellular specific mapping technique can be utilized to create an automated smart diagnostic tool for bench side screening of sampled lymph nodes. Spectral library of normal lymphocytes and metastatic cancer cells created using the cellular specific mapping technique can be utilized to develop an automated smart diagnostic tool for bench side screening of sampled lymph nodes supported by ongoing global research in developing better technology and signal and big data processing algorithms. PMID:26552923

  10. The spectroscopic (FT-IR, FT-Raman), MESP, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 1,5-dimethyl napthalene by density functional method

    NASA Astrophysics Data System (ADS)

    Arivazhagan, M.; Subhasini, V. P.; Kavitha, R.; Senthilkumar, R.

    2014-10-01

    The Fourier-transform infrared and FT-Raman spectra of 1,5-Dimethyl Napthalene (15DMN) was recorded in the region 4000-400 cm-1 and 3500-50 cm-1 respectively. Quantum chemical calculations of energies, geometrical structure and vibrational wavenumbers of 6M2C were carried out by density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis set. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. The values of the total dipole moment (?) and the first order hyperpolarizability (?) of the investigated compound were computed using B3LYP/6-311++G(d,p) calculations. The calculated results also show that 15DMN might have microscopic non-linear optical, MESP, NBO analysis with non-zero values. A detailed interpretation of infrared and Raman spectra of 15DMN is also reported. The calculated HOMO7-LUMO energy gap shows that charge transfer occur within the molecule. The molecular electrostatic potential map shows that the negative potential sites are on the electronegative atoms as well as the positive potential sites are around the hydrogen atoms.

  11. Application of spectroscopic methods for identification (FT-IR, Raman spectroscopy) and determination (UV, EPR) of quercetin-3-O-rutinoside. Experimental and DFT based approach.

    PubMed

    Paczkowska, Magdalena; Lewandowska, Kornelia; Bednarski, Waldemar; Mizera, Miko?aj; Podborska, Agnieszka; Krause, Anna; Cielecka-Piontek, Judyta

    2015-04-01

    Vibrational (FT-IR, Raman) and electronic (UV, EPR) spectral measurements were performed for an analysis of rutin (quercetin-3-O-rutinoside) obtained from Rutaofficinalis. The identification of rutin was done with the use of FT-IR and Raman spectra. Those experimental spectra were determined with the support of theoretical calculations based on a DFT method with the B3LYP hybrid functional and 6-31G(d,p) basis set. The application of UV and EPR spectra was found to be a suitable analytical approach to the evaluation of changes in rutin exposed to certain physicochemical factors. Differences in absorbance observed in direct UV spectra were used to monitor changes in the concentration of rutin in degraded samples. Spectra of electron paramagnetic resonance allowed studying the process of free-radical quenching in rutin following its exposure to light. The molecular electrostatic potential (MEP) and frontier molecular orbitals (LUMO-HOMO) were also determined in order to predict structural changes and reactive sites in rutin. PMID:25589394

  12. Application of spectroscopic methods for identification (FT-IR, Raman spectroscopy) and determination (UV, EPR) of quercetin-3-O-rutinoside. Experimental and DFT based approach

    NASA Astrophysics Data System (ADS)

    Paczkowska, Magdalena; Lewandowska, Kornelia; Bednarski, Waldemar; Mizera, Mikołaj; Podborska, Agnieszka; Krause, Anna; Cielecka-Piontek, Judyta

    2015-04-01

    Vibrational (FT-IR, Raman) and electronic (UV, EPR) spectral measurements were performed for an analysis of rutin (quercetin-3-O-rutinoside) obtained from Rutaofficinalis. The identification of rutin was done with the use of FT-IR and Raman spectra. Those experimental spectra were determined with the support of theoretical calculations based on a DFT method with the B3LYP hybrid functional and 6-31G(d,p) basis set. The application of UV and EPR spectra was found to be a suitable analytical approach to the evaluation of changes in rutin exposed to certain physicochemical factors. Differences in absorbance observed in direct UV spectra were used to monitor changes in the concentration of rutin in degraded samples. Spectra of electron paramagnetic resonance allowed studying the process of free-radical quenching in rutin following its exposure to light. The molecular electrostatic potential (MEP) and frontier molecular orbitals (LUMO-HOMO) were also determined in order to predict structural changes and reactive sites in rutin.

  13. Multi-residue Method for Determination of Selected Neonicotinoid Insecticides in Traditional Chinese Medicine Using Modified Dispersive Solid-phase Extraction Combined with Ultra-performance Liquid Chromatography Tandem Mass Spectrometry.

    PubMed

    Qin, Yao; Chen, Lina; Yang, Xiaojing; Li, Sainan; Wang, Yumeng; Tang, Ying; Liu, Chunming

    2015-01-01

    A reliable and cost-effective method for the determination of multiple neonicotinoids was developed using a modified QuEChERS-based extraction procedure in complex matrices, namely Hedyotis diffusa (a representative of the Traditional Chinese herb which contains lots of pigment, saponin and terpene) and Semifluid extract of deer foetus (a representative of the Chinese traditional patent medicine that was produced with several different herbs, and especially containing lots of protein, except for other interference components). Ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) was used for the quantification and confirmation of five compounds. Except for two transitions obtained by the MRM mode, identification was further carried out by the ion radios. The proposed chemical structure of every selected product ion and the proposed pyrolysis way were presented. The extraction, clean-up, UPLC separation and MS/MS parameters were especially optimized in order to obtain better recoveries. The low limits of detection (LODs) of five insecticides ranged from 0.04 to 0.81 ?g kg(-1). Matrix matched calibration in the concentration range of 0.05 - 50 ?g kg(-1) were used to compensate the matrix effect, and reasonable recoveries 80.2 - 105.4% of five compounds were demonstrated in different spiked levels with inter-RSD from 1.7 to 10.6%. The proposed method is an alternative approach to make an analysis of neonicotinoids in Chinese medicine, which is more reliable and promising compared with other detection methods. PMID:26256607

  14. Rethinking traditional methods for measuring intellectual capital.

    PubMed

    Corso, John A

    2007-01-01

    Historically, approaches to measuring intellectual capital have included both conventional accounting-based measures, such as variants of the market-to-book ratio, and more progressive measures, such as the measurement of intangible assets found in approaches such as the Balanced Scorecard and Human Resource Accounting. As greater emphasis is placed on intellectual capital and its various aspects in the continually growing service and knowledge economy, the use of assessment instruments to inventory the alignment, balance, and variety of intellectual capacities and metrics that assess the effectiveness of succession planning may represent new directions in which organizations can head in the measurement of this important construct. PMID:17198113

  15. Mono-N-acyl-2,6-diaminopimelic acid derivatives: analysis by electromigration and spectroscopic methods and examination of enzyme inhibitory activity.

    PubMed

    Hlav?ek, Jan; Vtovcov, Miloslava; Szelov, Petra; Pcha, Jan; Van?k, Vclav; Bud?nsk, Milo; Jir?ek, Ji?; Gillner, Danuta M; Holz, Richard C; Mikk, Ivan; Kai?ka, Vclav

    2014-12-15

    Thirteen mono-N-acyl derivatives of 2,6-diaminopimelic acid (DAP)-new potential inhibitors of the dapE-encoded N-succinyl-l,l-diaminopimelic acid desuccinylase (DapE; EC 3.5.1.18)-were analyzed and characterized by infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies and two capillary electromigration methods: capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC). Structural features of DAP derivatives were characterized by IR and NMR spectroscopies, whereas CZE and MEKC were applied to evaluate their purity and to investigate their electromigration properties. Effective electrophoretic mobilities of these compounds were determined by CZE in acidic and alkaline background electrolytes (BGEs) and by MEKC in acidic and alkaline BGEs containing a pseudostationary phase of anionic detergent sodium dodecyl sulfate (SDS) or cationic detergent cetyltrimethylammonium bromide (CTAB). The best separation of DAP derivatives, including diastereomers of some of them, was achieved by MEKC in an acidic BGE (500 mM acetic acid [pH 2.54] and 60mM SDS). All DAP derivatives were examined for their ability to inhibit catalytic activity of DapE from Haemophilus influenzae (HiDapE) and ArgE from Escherichia coli (EcArgE). None of these DAP derivatives worked as an effective inhibitor of HiDapE, but one derivative-N-fumaryl, Me-ester-DAP-was found to be a moderate inhibitor of EcArgE, thereby providing a promising lead structure for further studies on ArgE inhibitors. PMID:25205653

  16. Data Acquisition System for Instructional Spectroscopes

    NASA Astrophysics Data System (ADS)

    Almeida, C. B. S. B.; Hetem, A.

    2014-10-01

    This article aims to present the software for data acquisition developed in scientific initiation program - IC, for use in the design of a spectrometer built by students. The program was built in C++, a language in wide use today. The origin of spectra used is a simplified model of rustic spectroscope. This equipment basically consists of a box that does not allow light to enter, except through a slit made in the side of it, a diffraction media and a camera for data acquisition. After the image acquisition, one executes the data processing, followed by the usual steps of reduction and analysis of this type of tool. We have implemented a method for calibrating the spectroscope, through which one can compare the incidence of the photons with characteristic of each monochromatic wave. The final result is a one-dimensional spectrum that can be subsequently analyzed.

  17. Validation of an in-line Raman spectroscopic method for continuous active pharmaceutical ingredient quantification during pharmaceutical hot-melt extrusion.

    PubMed

    Saerens, L; Segher, N; Vervaet, C; Remon, J P; De Beer, T

    2014-01-01

    A calibration model for in-line API determination was developed based on Raman spectra collected during hot-melt extrusion. This predictive model was validated by calculating the accuracy profile based on the analysis results of validation experiments. Furthermore, based on the data of the accuracy profile, the measurement uncertainty was determined. Finally, the robustness of the model was evaluated. A Raman probe was implemented in the die of a twin-screw extruder, to monitor the drug concentration during extrusion of physical mixtures containing 15, 20, 25, 30 and 35% (w/w) metoprolol tartrate (MPT) in Eudragit() RS PO, an amorphous copolymer of acrylic and methacrylic acid esters with a low content of quaternary ammonium groups, which are present as salts. Several different calibration models for the prediction of the MPT content were developed, based on the use of single spectra or averaged spectra, and using partial least squares (PLS) regression or multivariate curve resolution (MCR). These predictive models were validated by extruding and monitoring mixtures containing 17.5, 22.5, 25.0, 27.5 and 32.5% (w/w) MPT. Each validated concentration was monitored on three different days, by two different operators. The ?-expectation tolerance intervals were calculated for each model and for each of the validated MPT concentration levels (? was set at 95%), and acceptance limits were set at 10% (relative bias), indicating that at least 95% of future measurements should not deviate more than 10% from the true value. The only model where these acceptance limits were not exceeded was the MCR model based on averaged Raman spectra. The uncertainty measurements for this model showed that the unknown true value can be found at a maximum of 7.00% around the measured result, with a confidence level of 95%. The robustness of this model was evaluated via an experimental design varying throughput, screw speed and barrel temperature. The robustness designs showed no significant influence of any of the process settings on the predicted concentration values. Raman spectroscopy proved to be a fast, non-destructive and reliable method for the quantification of MPT during hot-melt extrusion. From the accuracy profile of the MCR model based on averaged spectra, it was concluded that for each MPT concentration in the validated concentration range, 95 out 100 future routine measurements will be included within the acceptance limits (10%). PMID:24331054

  18. Spectroscopic null ellipsometer using a variable retarder.

    PubMed

    Watkins, Lionel R; Shamailov, Sophie S

    2011-01-01

    We describe a polarizer-compensator-sample-analyzer (PCSA) null ellipsometer in which a variable retarder is used as the compensator and either the polarizer or the analyzer is held at a fixed azimuthal angle. Ellipsometric angles ψ and Δ are determined directly from the azimuth of the rotating component and the compensator delay, respectively. A Soleil-Babinet compensator with quartz plates is used as the variable delay element and the delay at any wavelength is calculated from the independently measured delay at 632.8 nm and a knowledge of the dispersion of quartz. The thicknesses of thin silicon dioxide films on a silicon wafer were determined both spectroscopically and at a single wavelength and show excellent agreement with those determined using a traditional single wavelength PCSA null ellipsometer. PMID:21221159

  19. Spectroscopic Visualization of Grain Boundaries of Monolayer Molybdenum Disulfide by Stacking Bilayers.

    PubMed

    Park, Seki; Kim, Min Su; Kim, Hyun; Lee, Jubok; Han, Gang Hee; Jung, Jeil; Kim, Jeongyong

    2015-11-24

    Polycrystalline growth of molybdenum disulfide (MoS2) using chemical vapor deposition (CVD) methods is subject to the formation of grain boundaries (GBs), which have a large effect on the electrical and optical properties of MoS2-based optoelectronic devices. The identification of grains and GBs of CVD-grown monolayer MoS2 has traditionally required atomic resolution microscopy or nonlinear optical imaging techniques. Here, we present a simple spectroscopic method for visualizing GBs of polycrystalline monolayer MoS2 using stacked bilayers and mapping their indirect photoluminescence (PL) peak positions and Raman peak intensities. We were able to distinguish a GB between two MoS2 grains with tilt angles as small as 6 in their grain orientations and, based on the inspection of several GBs, found a simple empirical rule to predict the location of the GBs. In addition, the large number of twist angle domains traced through our facile spectroscopic mapping technique allowed us to identify a continuous evolution of the coupled structural and optical properties of bilayer MoS2 in the vicinity of the 0 and 60 commensuration angles which were explained by elastic deformation model of the MoS2 membranes. PMID:26446399

  20. Magnetic resonance spectroscopic imaging at superresolution: Overview and perspectives

    NASA Astrophysics Data System (ADS)

    Kasten, Jeffrey; Klauser, Antoine; Lazeyras, François; Van De Ville, Dimitri

    2016-02-01

    The notion of non-invasive, high-resolution spatial mapping of metabolite concentrations has long enticed the medical community. While magnetic resonance spectroscopic imaging (MRSI) is capable of achieving the requisite spatio-spectral localization, it has traditionally been encumbered by significant resolution constraints that have thus far undermined its clinical utility. To surpass these obstacles, research efforts have primarily focused on hardware enhancements or the development of accelerated acquisition strategies to improve the experimental sensitivity per unit time. Concomitantly, a number of innovative reconstruction techniques have emerged as alternatives to the standard inverse discrete Fourier transform (DFT). While perhaps lesser known, these latter methods strive to effect commensurate resolution gains by exploiting known properties of the underlying MRSI signal in concert with advanced image and signal processing techniques. This review article aims to aggregate and provide an overview of the past few decades of so-called "superresolution" MRSI reconstruction methodologies, and to introduce readers to current state-of-the-art approaches. A number of perspectives are then offered as to the future of high-resolution MRSI, with a particular focus on translation into clinical settings.