Estabilidade de fases em blendas de policarbonato-poliestireno avaliada por micro-FTIR, análise térmica e microscopia eletrônica de varredura Phase stability of polycarbonate-polystyrene blends evaluated by micro-FTIR, thermal analyses and scanning electron microscopy

Directory of Open Access Journals (Sweden)

Rodrigo L. Oréfice

2004-06-01

Full Text Available Nos últimos anos tem-se verificado uma acentuada desaceleração no desenvolvimento de novos homopolímeros, e nota-se um crescente interesse no estudo e desenvolvimento de processos que misturam os polímeros já existentes, dando origem às blendas poliméricas. Neste trabalho, blendas de poliestireno e policarbonato foram preparadas por extrusão em diferentes proporções. O processo de separação de fases foi estudado através da combinação de ferramentas analíticas como microscopias de infravermelho (micro-FTIR, óptica, eletrônica de varredura, e análise térmica. Resultados obtidos a partir das microscopias eletrônica e óptica permitiram definir as correlações entre morfologia e grau de estabilidade das fases do sistema. A composição e proporção relativas das fases das blendas foram determinadas usando microscopia de infravermelho. Tais resultados foram utilizados no cálculo do parâmetro de interação polímero-polímero de Flory-Huggins.In the last decade, a progressive reduction on the development of new homopolymers could be observed, while processes, such as blending, that combine commercially available polymers were emphasized. In this work, polycarbonate-polystyrene blends were extruded in compositions from 0% to 100% of polycarbonate in weight. The phase separation process was studied by combining a series of analytical techniques such as scanning electron, optical and infrared microscopy (micro-FTIR. Electron and optical microscopy allowed the determination of a correlation between phase morphology and the degree of phase stability of the system. The composition of the phases and information on phase stability were determined by using micro-FTIR. The Flory-Huggins interaction parameter could also be calculated from the micro-FTIR data.

Robust and unobtrusive algorithm based on position independence for step detection

Science.gov (United States)

Qiu, KeCheng; Li, MengYang; Luo, YiHan

2018-04-01

Running is becoming one of the most popular exercises among the people, monitoring steps can help users better understand their running process and improve exercise efficiency. In this paper, we design and implement a robust and unobtrusive algorithm based on position independence for step detection under real environment. It applies Butterworth filter to suppress high frequency interference and then employs the projection based on mathematics to transform system to solve the problem of unknown position of smartphone. Finally, using sliding window to suppress the false peak. The algorithm was tested for eight participants on the Android 7.0 platform. In our experiments, the results show that the proposed algorithm can achieve desired effect in spite of device pose.

Am I who I say I am? Unobtrusive self-representation and personality recognition on Facebook.

Science.gov (United States)

Hall, Margeret; Caton, Simon

2017-01-01

Across social media platforms users (sub)consciously represent themselves in a way which is appropriate for their intended audience. This has unknown impacts on studies with unobtrusive designs based on digital (social) platforms, and studies of contemporary social phenomena in online settings. A lack of appropriate methods to identify, control for, and mitigate the effects of self-representation, the propensity to express socially responding characteristics or self-censorship in digital settings, hinders the ability of researchers to confidently interpret and generalize their findings. This article proposes applying boosted regression modelling to fill this research gap. A case study of paid Amazon Mechanical Turk workers (n = 509) is presented where workers completed psychometric surveys and provided anonymized access to their Facebook timelines. Our research finds indicators of self-representation on Facebook, facilitating suggestions for its mitigation. We validate the use of LIWC for Facebook personality studies, as well as find discrepancies with extant literature about the use of LIWC-only approaches in unobtrusive designs. Using survey data and LIWC sentiment categories as predictors, the boosted regression model classified the Five Factor personality model with an average accuracy of 74.6%. The contribution of this work is an accurate prediction of psychometric information based on short, informal text.

Am I who I say I am? Unobtrusive self-representation and personality recognition on Facebook

Science.gov (United States)

2017-01-01

Across social media platforms users (sub)consciously represent themselves in a way which is appropriate for their intended audience. This has unknown impacts on studies with unobtrusive designs based on digital (social) platforms, and studies of contemporary social phenomena in online settings. A lack of appropriate methods to identify, control for, and mitigate the effects of self-representation, the propensity to express socially responding characteristics or self-censorship in digital settings, hinders the ability of researchers to confidently interpret and generalize their findings. This article proposes applying boosted regression modelling to fill this research gap. A case study of paid Amazon Mechanical Turk workers (n = 509) is presented where workers completed psychometric surveys and provided anonymized access to their Facebook timelines. Our research finds indicators of self-representation on Facebook, facilitating suggestions for its mitigation. We validate the use of LIWC for Facebook personality studies, as well as find discrepancies with extant literature about the use of LIWC-only approaches in unobtrusive designs. Using survey data and LIWC sentiment categories as predictors, the boosted regression model classified the Five Factor personality model with an average accuracy of 74.6%. The contribution of this work is an accurate prediction of psychometric information based on short, informal text. PMID:28926569

Am I who I say I am? Unobtrusive self-representation and personality recognition on Facebook.

Directory of Open Access Journals (Sweden)

Margeret Hall

Full Text Available Across social media platforms users (subconsciously represent themselves in a way which is appropriate for their intended audience. This has unknown impacts on studies with unobtrusive designs based on digital (social platforms, and studies of contemporary social phenomena in online settings. A lack of appropriate methods to identify, control for, and mitigate the effects of self-representation, the propensity to express socially responding characteristics or self-censorship in digital settings, hinders the ability of researchers to confidently interpret and generalize their findings. This article proposes applying boosted regression modelling to fill this research gap. A case study of paid Amazon Mechanical Turk workers (n = 509 is presented where workers completed psychometric surveys and provided anonymized access to their Facebook timelines. Our research finds indicators of self-representation on Facebook, facilitating suggestions for its mitigation. We validate the use of LIWC for Facebook personality studies, as well as find discrepancies with extant literature about the use of LIWC-only approaches in unobtrusive designs. Using survey data and LIWC sentiment categories as predictors, the boosted regression model classified the Five Factor personality model with an average accuracy of 74.6%. The contribution of this work is an accurate prediction of psychometric information based on short, informal text.

FTIR

International Nuclear Information System (INIS)

Gierczak, C.A.; Andino, J.M.; Butler, J.W.; Heiser, G.A.; Jesion, G.; Korniski, T.J.

1991-01-01

FTIR spectroscopy has been shown to be a valuable tool in the analysis of complex gas phase mixtures, such as dilute vehicle exhaust. Regulated and non-regulated vehicle emissions have been routinely sampled and analyzed using prototype instrumentation developed in this laboratory, and in several other laboratories over the last decade. More recently, commercial versions of these FTIR analyzers have become available through several manufacturers. This paper reviews the data acquisition and processing techniques utilized by the FTIR analyzer developed in this laboratory. The statistical detection limits for 22 of the components analyzed by the system are presented. In addition, the linearity of the carbon monoxide (CO) analysis is demonstrated over several orders of magnitude. Experiments designed to study the effects of environmental parameters on the accuracy and the sensitivity of the system are also described

Thyroid lesions diagnosis by Fourier transformed infrared absorption spectroscopy (FTIR)

International Nuclear Information System (INIS)

Albero, Felipe Guimaraes

2009-01-01

Thyroid nodules are a common disorder, with 4-7% of incidence in the Brazilian population. Although the fine needle aspiration (FNA) is an accurate method for thyroid tumors diagnosis, the discrimination between benign and malignant neoplasm is currently not possible in some cases with high incidence of false negative diagnosis, leading to a surgical intervention due to the risk of carcinomas. The aim of this study was to verify if the Fourier Transform infrared spectroscopy (FTIR) can contribute to the diagnosis of thyroid carcinomas and goiters, using samples of tissue and aspirates. Samples of FNA, homogenates and tissues of thyroid nodules with histopathological diagnosis were obtained and prepared for FTIR spectroscopy analysis. The FNA and homogenates samples were measured by μ-FTIR (between 950 . 1750 cm -1 ), at a nominal resolution of 4 cm -1 and 120 scans). Tissue samples were analyzed directly by ATR-FTIR technique, at a resolution 2 cm -1 , with 60 scans in the same region. All spectra were corrected by the baseline and normalized by amides area (1550-1640 cm -1 ) in order to minimize variations of sample homogeneity. Then, spectra were converted into second derivatives using the Savitzk-Golay algorithm with a 13 points window. The Ward's minimum variance algorithm and Euclidean distances among the points were used for cluster analysis. Some FNA samples showed complex spectral pattern. All samples showed some cell pellets and large amount of hormone, represented by the bands of 1545 and 1655 cm -1 . Bands in 1409, 1412, 1414, 1578 and 1579 cm -1 were also found, indicating possible presence of sugar, DNA, citric acid or metabolic products. In this study, it was obtained an excellent separation between goiter and malign lesion for the samples of tissues, with 100% of specificity in specific cluster and 67% sensibility and 50 of specificity. In homogenate and FNA samples this sensibility and specificity were lower, because among these samples, it were

A Radar-Based Smart Sensor for Unobtrusive Elderly Monitoring in Ambient Assisted Living Applications

Directory of Open Access Journals (Sweden)

Giovanni Diraco

2017-11-01

Full Text Available Continuous in-home monitoring of older adults living alone aims to improve their quality of life and independence, by detecting early signs of illness and functional decline or emergency conditions. To meet requirements for technology acceptance by seniors (unobtrusiveness, non-intrusiveness, and privacy-preservation, this study presents and discusses a new smart sensor system for the detection of abnormalities during daily activities, based on ultra-wideband radar providing rich, not privacy-sensitive, information useful for sensing both cardiorespiratory and body movements, regardless of ambient lighting conditions and physical obstructions (through-wall sensing. The radar sensing is a very promising technology, enabling the measurement of vital signs and body movements at a distance, and thus meeting both requirements of unobtrusiveness and accuracy. In particular, impulse-radio ultra-wideband radar has attracted considerable attention in recent years thanks to many properties that make it useful for assisted living purposes. The proposed sensing system, evaluated in meaningful assisted living scenarios by involving 30 participants, exhibited the ability to detect vital signs, to discriminate among dangerous situations and activities of daily living, and to accommodate individual physical characteristics and habits. The reported results show that vital signs can be detected also while carrying out daily activities or after a fall event (post-fall phase, with accuracy varying according to the level of movements, reaching up to 95% and 91% in detecting respiration and heart rates, respectively. Similarly, good results were achieved in fall detection by using the micro-motion signature and unsupervised learning, with sensitivity and specificity greater than 97% and 90%, respectively.

A Radar-Based Smart Sensor for Unobtrusive Elderly Monitoring in Ambient Assisted Living Applications.

Science.gov (United States)

Diraco, Giovanni; Leone, Alessandro; Siciliano, Pietro

2017-11-24

Continuous in-home monitoring of older adults living alone aims to improve their quality of life and independence, by detecting early signs of illness and functional decline or emergency conditions. To meet requirements for technology acceptance by seniors (unobtrusiveness, non-intrusiveness, and privacy-preservation), this study presents and discusses a new smart sensor system for the detection of abnormalities during daily activities, based on ultra-wideband radar providing rich, not privacy-sensitive, information useful for sensing both cardiorespiratory and body movements, regardless of ambient lighting conditions and physical obstructions (through-wall sensing). The radar sensing is a very promising technology, enabling the measurement of vital signs and body movements at a distance, and thus meeting both requirements of unobtrusiveness and accuracy. In particular, impulse-radio ultra-wideband radar has attracted considerable attention in recent years thanks to many properties that make it useful for assisted living purposes. The proposed sensing system, evaluated in meaningful assisted living scenarios by involving 30 participants, exhibited the ability to detect vital signs, to discriminate among dangerous situations and activities of daily living, and to accommodate individual physical characteristics and habits. The reported results show that vital signs can be detected also while carrying out daily activities or after a fall event (post-fall phase), with accuracy varying according to the level of movements, reaching up to 95% and 91% in detecting respiration and heart rates, respectively. Similarly, good results were achieved in fall detection by using the micro-motion signature and unsupervised learning, with sensitivity and specificity greater than 97% and 90%, respectively.

Thyroid lesions diagnosis by Fourier transformed infrared absorption spectroscopy (FTIR); Diagnostico de lesoes da tireoide pela espectroscopia de absorcao no infravermelho por transformada de Fourier - FTIR

Energy Technology Data Exchange (ETDEWEB)

Albero, Felipe Guimaraes

2009-07-01

Thyroid nodules are a common disorder, with 4-7% of incidence in the Brazilian population. Although the fine needle aspiration (FNA) is an accurate method for thyroid tumors diagnosis, the discrimination between benign and malignant neoplasm is currently not possible in some cases with high incidence of false negative diagnosis, leading to a surgical intervention due to the risk of carcinomas. The aim of this study was to verify if the Fourier Transform infrared spectroscopy (FTIR) can contribute to the diagnosis of thyroid carcinomas and goiters, using samples of tissue and aspirates. Samples of FNA, homogenates and tissues of thyroid nodules with histopathological diagnosis were obtained and prepared for FTIR spectroscopy analysis. The FNA and homogenates samples were measured by {mu}-FTIR (between 950 . 1750 cm{sup -1}), at a nominal resolution of 4 cm{sup -1} and 120 scans). Tissue samples were analyzed directly by ATR-FTIR technique, at a resolution 2 cm{sup -1}, with 60 scans in the same region. All spectra were corrected by the baseline and normalized by amides area (1550-1640 cm{sup -1}) in order to minimize variations of sample homogeneity. Then, spectra were converted into second derivatives using the Savitzk-Golay algorithm with a 13 points window. The Ward's minimum variance algorithm and Euclidean distances among the points were used for cluster analysis. Some FNA samples showed complex spectral pattern. All samples showed some cell pellets and large amount of hormone, represented by the bands of 1545 and 1655 cm{sup -1}. Bands in 1409, 1412, 1414, 1578 and 1579 cm{sup -1} were also found, indicating possible presence of sugar, DNA, citric acid or metabolic products. In this study, it was obtained an excellent separation between goiter and malign lesion for the samples of tissues, with 100% of specificity in specific cluster and 67% sensibility and 50 of specificity. In homogenate and FNA samples this sensibility and specificity were lower

Divided attention in computer game play: analysis utilizing unobtrusive health monitoring.

Science.gov (United States)

McKanna, James A; Jimison, Holly; Pavel, Misha

2009-01-01

Divided attention is a vital cognitive ability used in important daily activities (e.g., driving), which tends to deteriorate with age. As with Alzheimer's and other neural degenerative conditions, treatment for divided attention problems is likely to be more effective the earlier it is detected. Thus, it is important that a method be found to detect changes in divided attention early on in the process, for both safety and health care reasons. We present here a new method for detecting divided attention unobtrusively, using performance on a computer game designed to force players to attend to different dimensions simultaneously in order to succeed. Should this model prove to predict scores on a standard test for divided attention, it could help to detect cognitive decline earlier in our increasingly computer-involved aging population, providing treatment efficacy benefits to those who will experience cognitive decline.

Combination of FTIR and SEM for Identifying Freshwater-Cultured Pearls from Different Quality

Science.gov (United States)

Satitkune, Somruedee; Monarumit, Natthapong; Boonmee, Chakkrich; Phlayrahan, Aumaparn; Promdee, Kittiphop; Won-in, Krit

2016-03-01

The freshwater-cultured pearl ( Chamberlainia hainesiana species) is an organic gemstone mainly composed of calcium carbonate mineral including calcite, aragonite and vaterite phases. Generally, the quality of freshwater-cultured pearl is based on its luster. The high luster pearl is full of the aragonite phase without vaterite phase. On the other hand, the low luster pearl consists of aragonite and vaterite phases. These data could be proved by the Fourier Transform Infrared (FTIR) spectroscopy combined with the scanning electron microscopy (SEM). As the results, the high luster pearl similarly shows the FTIR spectrum of aragonite phase, and also, it shows the hexagonal shape of aragonite for the SEM image. On the other hand, the FTIR spectrum of low luster pearl has been pointed to the mixture component among aragonite and vaterite phases, and based on the SEM image; the irregular form is also interpreted to the mixture of aragonite and vaterite phases. This research concludes that the quality of freshwater-cultured pearls can be identified by the combination data of FTIR spectra and SEM images. These techniques are suitable for applied gemology.

Unobtrusive Wireless Monitoring System for Assisted Living and Improving the Wellbeing of Elderly People

International Nuclear Information System (INIS)

Browne, Aidan; Duncliffe, Richard; Spillane, James; Walsh, Colin; Hill, Martin; O'Mahony, Tom; O'Reilly, Fergus

2011-01-01

A novel system to unobtrusively monitor the wellbeing of elderly people based on their activity patterns is presented. The system uses a wireless ZigBee network to monitor the electrical usage in a subject's home and then sends this data to an Apache server via HTTP from a GPRS unit. The data is logged in a MySQL database where pattern analysis is used to identify periods of significant inactivity. When such an event is identified designated contacts are notified by text message. For subjects requiring higher levels of monitoring a portable health monitor can be integrated incorporating a fall detector and panic button to inform of emergency situations.

Infrared spectroscopy as a tool to characterise starch ordered structure--a joint FTIR-ATR, NMR, XRD and DSC study.

Science.gov (United States)

Warren, Frederick J; Gidley, Michael J; Flanagan, Bernadine M

2016-03-30

Starch has a heterogeneous, semi-crystalline granular structure and the degree of ordered structure can affect its behaviour in foods and bioplastics. A range of methodologies are employed to study starch structure; differential scanning calorimetry, (13)C nuclear magnetic resonance, X-ray diffraction and Fourier transform infrared spectroscopy (FTIR). Despite the appeal of FTIR as a rapid, non-destructive methodology, there is currently no systematically defined quantitative relationship between FTIR spectral features and other starch structural measures. Here, we subject 61 starch samples to structural analysis, and systematically correlate FTIR spectra with other measures of starch structure. A hydration dependent peak position shift in the FTIR spectra of starch is observed, resulting from increased molecular order, but with complex, non-linear behaviour. We demonstrate that FTIR is a tool that can quantitatively probe short range interactions in starch structure. However, the assumptions of linear relationships between starch ordered structure and peak ratios are overly simplistic. Copyright © 2015 Elsevier Ltd. All rights reserved.

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite

International Nuclear Information System (INIS)

Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L.; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E.; García-García, Ramiro

2013-01-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI) XRD index is related to the crystal structure of the samples and the (CI) FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI) XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI) FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. - Highlights: • XRD and FTIR crystallinity indices for tooth enamel and synthetic HAP were obtained. • SEM and TEM images were more correlated with (CI) XRD than with (CI) FTIR . • Regardless of the temperature, (CI) XRD and (CI) FTIR showed similar behavior. • XRD and FTIR crystallinity indices resulted in a fast and qualitative measurement

Willingness of older adults to share data and privacy concerns after exposure to unobtrusive in-home monitoring.

Science.gov (United States)

Boise, Linda; Wild, Katherine; Mattek, Nora; Ruhl, Mary; Dodge, Hiroko H; Kaye, Jeffrey

2013-01-01

Older adult participants in the Intelligent Systems for Assessment of Aging Changes study (ISAAC) carried out by the Oregon Center for Aging and Technology (ORCATECH) were surveyed regarding their attitudes about unobtrusive home monitoring and computer use at baseline and after one year (n=119). The survey was part of a longitudinal study using in-home sensor technology to detect cognitive changes and other health problems. Our primary objective was to measure willingness to share health or activity data with one's doctor or family members and concerns about privacy or security of monitoring over one year of study participation. Differences in attitudes of participants with Mild Cognitive Impairment (MCI) compared to those with normal cognition were also examined. A high proportion (over 72%) of participants reported acceptance of in-home and computer monitoring and willingness to have data shared with their doctor or family members. However, a majority (60%) reported concerns related to privacy or security; these concerns increased after one year of participation. Few differences between participants with MCI and those with normal cognition were identified. Findings suggest that involvement in this unobtrusive in-home monitoring study may have raised awareness about the potential privacy risks of technology. Still, results show high acceptance, stable over time, of sharing information from monitoring systems with family members and doctors. Our findings have important implications for the deployment of technologies among older adults in research studies as well as in the general community.

Vacuum FTIR Observation on the Dynamic Hygroscopicity of Aerosols under Pulsed Relative Humidity.

Science.gov (United States)

Leng, Chun-Bo; Pang, Shu-Feng; Zhang, Yun; Cai, Chen; Liu, Yong; Zhang, Yun-Hong

2015-08-04

A novel approach based on a combination of a pulse RH controlling system and a rapid scan vacuum FTIR spectrometer (PRHCS-RSVFTIR) was utilized to investigate dynamic hygroscopicity of two atmospheric aerosols: ammonium sulfate ((NH4)2SO4) and magnesium sulfate (MgSO4). In this approach, rapid-scan infrared spectra of water vapor and aerosols were obtained to determine relative humidity (RH) in sample cell and hygroscopic property of aerosols with a subsecond time resolution. Heterogeneous nucleation rates of (NH4)2SO4 were, for the first time, measured under low RH conditions (nucleation kinetics of liquid aerosols.

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite

Energy Technology Data Exchange (ETDEWEB)

Reyes-Gasga, José, E-mail: jreyes@fisica.unam.mx [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Martínez-Piñeiro, Esmeralda L., E-mail: esmemapi@gmail.com [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Rodríguez-Álvarez, Galois, E-mail: galoisborre@yahoo.com [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Tiznado-Orozco, Gaby E., E-mail: gab0409@yahoo.com.mx [Unidad Académica de Odontología, Universidad Autónoma de Nayarit, Edificio E7, Ciudad de la Cultura “Amado Nervo”, C.P. 63190 Tepic, Nayarit (Mexico); García-García, Ramiro, E-mail: ramiro@fisica.unam.mx [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); and others

2013-12-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI){sub XRD} index is related to the crystal structure of the samples and the (CI){sub FTIR} index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI){sub XRD} value indicated that enamel is more crystalline than synthetic HAP, while (CI){sub FTIR} indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. - Highlights: • XRD and FTIR crystallinity indices for tooth enamel and synthetic HAP were obtained. • SEM and TEM images were more correlated with (CI){sub XRD} than with (CI){sub FTIR}. • Regardless of the temperature, (CI){sub XRD} and (CI){sub FTIR} showed similar behavior. • XRD and FTIR crystallinity indices resulted in a fast and qualitative measurement.

Application of microfluidic devices for time resolved FTIR spectroscopy

International Nuclear Information System (INIS)

Wagner, C.

2012-01-01

Within this thesis, micro fluidic mixers, operated in continuous flow mode, were used for time resolved FTIR studies of chemical reactions in aqueous solution. Any chemical reaction, that can be started upon mixing two reagents, can be examined with this technique. The mixing channel also serves as the observation window for the IR measurements. The actual measurements take place at well defined spots along this channel, corresponding to specific reaction times: moving the measurement spot (100 × 100 μm 2 ) towards the entry yields shorter reaction times, moving it towards the channel's end gives longer reaction times. The temporal resolution of the experiment depends on the flow rate inside the mixing channel and the spacing between subsequent measurement points. Fast flow rates, limited by the back pressure of the mixer leading to leakages, allow time resolutions in the sub-millisecond time range using a standard FTIR microscope, whereas slow flow rates allow the measurement of reaction times up to 1000 ms. Evaluating the mixer using a fast chemical reaction resulted in mixing times of approximately 5 ms and a homogeneous distribution of the liquids across the width of the mixing channel. The mixer was then used for the measurement of the H/D exchange on carbohydrates, the complex formaldehyde sulfite clock reaction, and the folding of the protein ubiquitin from its native to the ''A'' state, induced by mixing it with an acidified methanol solution. For cleaning the mixer a software tool, called ATLAS, was developed in LabVIEW, which was used to automatize the necessary cleaning steps performed by a dedicated flow system. Additionally, the micro mixer technology was combined with the step scan measurement technique using a beam condenser focusing the IR beam of an FTIR spectrometer down to a spot size of 1 mm diameter and through the mixer. The laser light, initiating the chemical reaction inside the mixing channel, was coupled into the focusing unit using a

Characterization of banana peel by scanning electron microscopy and FT-IR spectroscopy and its use for cadmium removal.

Science.gov (United States)

Memon, Jamil R; Memon, Saima Q; Bhanger, M I; Memon, G Zuhra; El-Turki, A; Allen, Geoffrey C

2008-10-15

This study describes the use of banana peel, a commonly produced fruit waste, for the removal of Cd(II) from environmental and industrial wastewater. The banana peel was characterized by FT-IR and scanning electron microscopy (SEM) coupled with energy dispersive X-ray (EDX) analysis. The parameters pH, contact time, initial metal ion concentration and temperature were investigated and found to be rapid ( approximately 97% within 10 min). The Langmuir adsorption isotherm was used to describe partitioning behavior for the system at room temperature. The value of Q(L) was found to be (35.52 mg g(-1)) higher than the previously reported materials. The binding of metal ions was found to be pH-dependent with the optimal sorption occurring at pH 8. The retained species were eluted with 5 mL of 5 x 10(-3)M HNO(3) with the detection limit of 1.7 x 10(-3)mg L(-1). Kinetics of sorption followed the pseudo-first-order rate equation with the rate constant k, equal to 0.13+/-0.01 min(-1). Thermodynamic parameters such as Gibbs free energy at 303K (-7.41+/-0.13 kJ mol(-1)) and enthalpy (40.56+/-2.34 kJ mol(-1)) indicated the spontaneous and endothermic nature of the sorption process. The developed method was utilized for the removal of Cd(II) ions from environmental and industrial wastewater samples using flame atomic absorption spectrophotometer (FAAS).

Autonomous unobtrusive detection of mild cognitive impairment in older adults.

Science.gov (United States)

Akl, Ahmad; Taati, Babak; Mihailidis, Alex

2015-05-01

The current diagnosis process of dementia is resulting in a high percentage of cases with delayed detection. To address this problem, in this paper, we explore the feasibility of autonomously detecting mild cognitive impairment (MCI) in the older adult population. We implement a signal processing approach equipped with a machine learning paradigm to process and analyze real-world data acquired using home-based unobtrusive sensing technologies. Using the sensor and clinical data pertaining to 97 subjects, acquired over an average period of three years, a number of measures associated with the subjects' walking speed and general activity in the home were calculated. Different time spans of these measures were used to generate feature vectors to train and test two machine learning algorithms namely support vector machines and random forests. We were able to autonomously detect MCI in older adults with an area under the ROC curve of 0.97 and an area under the precision-recall curve of 0.93 using a time window of 24 weeks. This study is of great significance since it can potentially assist in the early detection of cognitive impairment in older adults.

Photoacoustic FTIR spectroscopic study of undisturbed nacre from red abalone

Science.gov (United States)

Verma, Devendra; Katti, Kalpana; Katti, Dinesh

2006-07-01

In this work, photoacoustic Fourier transform infrared (PA-FTIR) spectroscopy has been utilized to study interfacial interactions of undisturbed nacre and nacre powder from red abalone shell. The spectra of both undisturbed nacre and nacre powder showed characteristic bands of aragonite and proteins. Although nacre powder and undisturbed nacre are chemically identical, PA-FTIR spectrum of undisturbed nacre is found to be significantly different from that of nacre powder. A broad and strong band is observed at around 1485 cm -1 in nacre powder. The intensity of this band is notably reduced in undisturbed nacre. This result is explained on the basis of interfacial interactions between aragonite platelets and acidic proteins. It is also observed that band at around 1788 cm -1 originates from three overlapping bands 1797, 1787 and 1778 cm -1. The band at around 1787 cm -1 is assigned to C dbnd O stretching of carboxylate groups of acidic proteins. The other two bands at 1797 and 1778 cm -1, originate from aragonite and have been assigned to combination bands, ν 3 + ν 4a and ν 3 + ν 4b, respectively. For the study of stratification in undisturbed nacre, PA-FTIR spectra have been collected in step scan mode. The variation in spectra with depth can be attributed to changes in conformation of proteins as well as interfacial interactions.

An Unobtrusive System to Measure, Assess, and Predict Cognitive Workload in Real-World Environments

Science.gov (United States)

Bracken, Bethany K.; Palmon, Noa; Elkin-Frankston, Seth; Irvin, Scott; Jenkins, Michael; Farry, Mike

2017-01-01

Across many careers, individuals face alternating periods of high and low attention and cognitive workload, which can result in impaired cognitive functioning and can be detrimental to job performance. For example, some professions (e.g., fire fighters, emergency medical personnel, doctors and nurses working in an emergency room, pilots) require long periods of low workload (boredom), followed by sudden, high-tempo operations during which they may be required to respond to an emergency and perform at peak cognitive levels. Conversely, other professions (e.g., air traffic controllers, market investors in financial industries, analysts) require long periods of high workload and multitasking during which the addition of just one more task results in cognitive overload resulting in mistakes. An unobtrusive system to measure, assess, and predict cognitive workload could warn individuals, their teammates, or their supervisors when steps should be taken to augment cognitive readiness. In this talk I will describe an approach to this problem that we have found to be successful across work domains including: (1) a suite of unobtrusive, field-ready neurophysiological, physiological, and behavioral sensors that are chosen to best suit the target environment; (2) custom algorithms and statistical techniques to process and time-align raw data originating from the sensor suite; (3) probabilistic and statistical models designed to interpret the data into the human state of interest (e.g., cognitive workload, attention, fatigue); (4) and machine-learning techniques to predict upcoming performance based on the current pattern of events, and (5) display of each piece of information depending on the needs of the target user who may or may not want to drill down into the functioning of the system to determine how conclusions about human state and performance are determined. I will then focus in on our experimental results from our custom functional near-infrared spectroscopy sensor

Conservation of Moroccan manuscript papers aged 150, 200 and 800 years. Analysis by infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD), and scanning electron microscopy energy dispersive spectrometry (SEM-EDS).

Science.gov (United States)

Hajji, Latifa; Boukir, Abdellatif; Assouik, Jamal; Lakhiari, Hamid; Kerbal, Abdelali; Doumenq, Pierre; Mille, Gilbert; De Carvalho, Maria Luisa

2015-02-05

The preservation of manuscripts and archive materials is a serious problem for librarians and restorers. Paper manuscript is subjected to numerous degradation factors affecting their conservation state. This research represents an attempt to evaluate the conservation restoration process applied in Moroccan libraries, especially the alkaline treatment for strengthening weakened paper. In this study, we focused on six samples of degraded and restored paper taken from three different Moroccan manuscripts aged 150, 200 and 800 years. In addition, the Japanese paper used in restoration has been characterized. A modern paper was also analyzed as reference. A three-step analytical methodology based on infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD) and scanning electron microscopy coupled to energy dispersive spectrometry (SEM-EDS) analysis was developed before and after restoration in order to determine the effect of the consolidation treatment on the paper structure. The results obtained by XRD and ATR-FTIR disclosed the presence of barium sulfate (BaSO4) in all restored paper manuscripts. The presence of calcium carbonate (CaCO3) in all considered samples was confirmed by FTIR spectroscopy. The application of de-acidification treatment causes significant changes connected with the increase of intensity mostly in the region 1426 cm(-1), assigned to the asymmetric and symmetric CO stretching mode of calcite, indicating the effectiveness of de-acidification procedure proved by the rise of the alkaline reserve content allowing the long term preservation of paper. Observations performed by SEM magnify the typical paper morphology and the structure of fibbers, highlighting the effect of the restoration process, manifested by the reduction of impurities. Copyright © 2014 Elsevier B.V. All rights reserved.

Motion Artifact Quantification and Sensor Fusion for Unobtrusive Health Monitoring.

Science.gov (United States)

Hoog Antink, Christoph; Schulz, Florian; Leonhardt, Steffen; Walter, Marian

2017-12-25

Sensors integrated into objects of everyday life potentially allow unobtrusive health monitoring at home. However, since the coupling of sensors and subject is not as well-defined as compared to a clinical setting, the signal quality is much more variable and can be disturbed significantly by motion artifacts. One way of tackling this challenge is the combined evaluation of multiple channels via sensor fusion. For robust and accurate sensor fusion, analyzing the influence of motion on different modalities is crucial. In this work, a multimodal sensor setup integrated into an armchair is presented that combines capacitively coupled electrocardiography, reflective photoplethysmography, two high-frequency impedance sensors and two types of ballistocardiography sensors. To quantify motion artifacts, a motion protocol performed by healthy volunteers is recorded with a motion capture system, and reference sensors perform cardiorespiratory monitoring. The shape-based signal-to-noise ratio SNR S is introduced and used to quantify the effect on motion on different sensing modalities. Based on this analysis, an optimal combination of sensors and fusion methodology is developed and evaluated. Using the proposed approach, beat-to-beat heart-rate is estimated with a coverage of 99.5% and a mean absolute error of 7.9 ms on 425 min of data from seven volunteers in a proof-of-concept measurement scenario.

Tracking calcification in tissue-engineered bone using synchrotron micro-FTIR and SEM.

Science.gov (United States)

Deegan, Anthony J; Cinque, Gianfelice; Wehbe, Katia; Konduru, Sandeep; Yang, Ying

2015-02-01

One novel tissue engineering approach to mimic in vivo bone formation is the use of aggregate or micromass cultures. Various qualitative and quantitative techniques, such as histochemical staining, protein assay kits and RT-PCR, have been used previously on cellular aggregate studies to investigate how these intricate arrangements lead to mature bone tissue. However, these techniques struggle to reveal spatial and temporal distribution of proliferation and mineralization simultaneously. Synchrotron-based Fourier transform infrared microspectroscopy (micro-FTIR) offers a unique insight at the molecular scale by coupling high IR sensitivity to organic matter with the high spatial resolution allowed by diffraction limited SR microbeam. This study is set to investigate the effects of culture duration and aggregate size on the dynamics and spatial distribution of calcification in engineered bone aggregates by a combination of micro-FTIR and scanning electron microscopy (SEM)/energy-dispersive X-ray spectroscopy (EDX). A murine bone cell line has been used, and small/large bone aggregates have been induced using different chemically treated culture substrates. Our findings suggest that bone cell aggregate culturing can greatly increase levels of mineralization over short culture periods. The size of the aggregates influences mineralisation rates with larger aggregates mineralizing at a faster rate than their smaller counterparts. The micro-FTIR mapping has demonstrated that mineralization in the larger aggregates initiated from the periphery and spread to the centre, whilst the smaller aggregates have more minerals in the centre at the early stage and deposited more in the periphery after further culturing, implying that aggregate size influences calcification distribution and development over time. SEM/EDX data correlates well with the micro-FTIR results for the total mineral content. Thus, synchrotron-based micro-FTIR can accurately track mineralization process

Analyzing FTIR spectra using high sensitivity compare function of FTIR software for 2-pack epoxy paints

Science.gov (United States)

Saaid, Farish Irfal; Chan, Chin Han; Ong, Max Chong Hup; Winie, Tan; Harun, Mohamad Kamal

2015-08-01

The existing problem of oil and gas companies faced for on-site jobs of polymeric coatings on steel pipelines is that the quality of polymeric coatings varies from job to job for the same product brand from the same supplier or paint manufacturer. This can be due to the inherent problem of the reformulation of polymeric coatings or in other words adulterated polymeric coatings are supplied, where the quality of the coatings deviates from the submitted specifications for prequalification and tender purpose. Major oil and gas companies in Malaysia are calling for Coating Fingerprinting Certificate for the supply of polymeric coatings from local paint manufactures as quality assurance requirement of the coatings supplied. This will reduce the possibility of failures of the polymeric coatings, which lead to the corrosion of steel pipelines resulting in leakage of crude oil and gas to the environment. In this case, Fourier-transform infrared (FTIR) is a simple and reliable tool for coating fingerprinting. In this study, we conclude that, revelation of possible components of the 2-pack epoxy paints by carrying out extensive FTIR libraries search on FTIR spectra seems to be extremely challenging. Estimation of correlation of the sample spectrum to that of the reference spectrum using Compare function from one FTIR manufacturer, even the FTIR spectra are collected by different FTIR spectrometers from different FTIR manufacturers, can be made. The results of the correlation are reproducible.

A NOVEL BCG SENSOR-ARRAY FOR UNOBTRUSIVE CARDIAC MONITORING

Directory of Open Access Journals (Sweden)

Anna Böhm

2013-12-01

Full Text Available Unobtrusive heart rate monitoring is a popular research topic in biomedical engineering. The reason is that convential methods, e.g. the clinical gold standard electrocardiography, require conductive contact to the human body. Other methods such as ballistocardiography try to record these vital signs without electrodes that are attached to the body. So far, these systems cannot replace routine procedures. Most systems have some drawbacks that cannot be compensated, such as aging of the sensor materials or movement artifacts. In addition, the signal form differs greatly from an ECG, which is an electrical signal. The ballistocardiogram has a mechanical source, which makes it harder to evaluate. We have developed a new sensor array made of near-IR-LEDs to record BCGs. IR-sensors do not age in relevant time scales. Analog filtering was neccesary, because the signal amplitude was very small. The digitized data was then processed by various algorithms to extract beat-to-beat or breath-to-breath intervals. The redundancy of multiple BCG channels was used to provide a robust estimation of beat-to-beat intervals and heart rate. We installed the system beneath a mattress topper of a hospital bed, but any other bed would have been sufficient. The validation of this measurement system shows that it is well suited for BCG recordings. The use of multiple channels has proven to be superior to relying on a single BCG channel.

Effects of Cu stress on maize seedlings using X-ray energy spectrum and FTIR spectra methods

International Nuclear Information System (INIS)

Qiao Lin; Fu Zhaolin; Qiao Chuanying

2011-01-01

The effects of Cu 2+ stress on maize seedlings by using scanning electron microscope, X-ray energy spectrum and Fourier transform infrared attenuated total reflection (FTIR-ATR) spectrometry were investigated, and antioxidative enzymes activities such as SOD, CAT, POD, APX were measured. Results showed that, with the increasing of Cu concentration, the content of chlorophyll decreased, and antioxidative enzyme activities increased at first and then decreased at higher concentration stress. High concentration Cu 2+ treatment twisted the cells' shape and increased copper content on leaf surface, and absorption of other nutrients were also affected. The result of FTIR-ATR analysis showed that the organic content of leaf were changed by Cu 2+ stress. (authors)

MuSeSe - A multisensor armchair for unobtrusive vital sign estimation and motion artifact analysis.

Science.gov (United States)

Antink, Christoph Hoog; Leonhardt, Steffen; Schulz, Florian; Walter, Marian

2017-07-01

Unobtrusive vital sign estimation with sensors integrated into objects of everyday living can substantially advance the field of remote monitoring. At the same time, motion artifacts cause severe problems and have to be dealt with. Here, the fusion of multimodal sensor data is a promising approach. In this paper, we present an armchair equipped with capacitively coupled electrocardiogram, two types of ballistocardiographic sensors, photoplethysmographic and two high-frequency impedance sensors. In addition, a video-based sensor for motion analysis is integrated. Using a defined motion protocol, the feasibility of the system is demonstrated in a self-experimentation. Moreover, the influence of different movements on different modalities is analyzed. Finally, robust beat-to-beat interval estimation demonstrates the benefits of multimodal sensor fusion for vital sign estimation in the presence of motion artifacts.

Motion Artifact Quantification and Sensor Fusion for Unobtrusive Health Monitoring

Science.gov (United States)

Hoog Antink, Christoph; Schulz, Florian; Walter, Marian

2017-01-01

Sensors integrated into objects of everyday life potentially allow unobtrusive health monitoring at home. However, since the coupling of sensors and subject is not as well-defined as compared to a clinical setting, the signal quality is much more variable and can be disturbed significantly by motion artifacts. One way of tackling this challenge is the combined evaluation of multiple channels via sensor fusion. For robust and accurate sensor fusion, analyzing the influence of motion on different modalities is crucial. In this work, a multimodal sensor setup integrated into an armchair is presented that combines capacitively coupled electrocardiography, reflective photoplethysmography, two high-frequency impedance sensors and two types of ballistocardiography sensors. To quantify motion artifacts, a motion protocol performed by healthy volunteers is recorded with a motion capture system, and reference sensors perform cardiorespiratory monitoring. The shape-based signal-to-noise ratio SNRS is introduced and used to quantify the effect on motion on different sensing modalities. Based on this analysis, an optimal combination of sensors and fusion methodology is developed and evaluated. Using the proposed approach, beat-to-beat heart-rate is estimated with a coverage of 99.5% and a mean absolute error of 7.9 ms on 425 min of data from seven volunteers in a proof-of-concept measurement scenario. PMID:29295594

Motion Artifact Quantification and Sensor Fusion for Unobtrusive Health Monitoring

Directory of Open Access Journals (Sweden)

Christoph Hoog Antink

2017-12-01

Full Text Available Sensors integrated into objects of everyday life potentially allow unobtrusive health monitoring at home. However, since the coupling of sensors and subject is not as well-defined as compared to a clinical setting, the signal quality is much more variable and can be disturbed significantly by motion artifacts. One way of tackling this challenge is the combined evaluation of multiple channels via sensor fusion. For robust and accurate sensor fusion, analyzing the influence of motion on different modalities is crucial. In this work, a multimodal sensor setup integrated into an armchair is presented that combines capacitively coupled electrocardiography, reflective photoplethysmography, two high-frequency impedance sensors and two types of ballistocardiography sensors. To quantify motion artifacts, a motion protocol performed by healthy volunteers is recorded with a motion capture system, and reference sensors perform cardiorespiratory monitoring. The shape-based signal-to-noise ratio SNR S is introduced and used to quantify the effect on motion on different sensing modalities. Based on this analysis, an optimal combination of sensors and fusion methodology is developed and evaluated. Using the proposed approach, beat-to-beat heart-rate is estimated with a coverage of 99.5% and a mean absolute error of 7.9 ms on 425 min of data from seven volunteers in a proof-of-concept measurement scenario.

Unobtrusive monitoring of divided attention in a cognitive health coaching intervention for the elderly.

Science.gov (United States)

McKanna, James A; Pavel, Misha; Jimison, Holly

2010-11-13

Assessment of cognitive functionality is an important aspect of care for elders. Unfortunately, few tools exist to measure divided attention, the ability to allocate attention to different aspects of tasks. An accurate determination of divided attention would allow inference of generalized cognitive decline, as well as providing a quantifiable indicator of an important component of driving skill. We propose a new method for determining relative divided attention ability through unobtrusive monitoring of computer use. Specifically, we measure performance on a dual-task cognitive computer exercise as part of a health coaching intervention. This metric indicates whether the user has the ability to pay attention to both tasks at once, or is primarily attending to one task at a time (sacrificing optimal performance). The monitoring of divided attention in a home environment is a key component of both the early detection of cognitive problems and for assessing the efficacy of coaching interventions.

Study of micro-phase separation of two polystyrene-based copolymer mixture using the combination of PALS and FT-IR

International Nuclear Information System (INIS)

Jiang, Z.Y.; Jiang, X.Q.; Yang, Y.X.; Huang, Y.J.; Huang, H.B.; Hsia, Y.F.

2005-01-01

Positron annihilation lifetime (PAL) spectroscopy, Fourier transform infrared (FT-IR) and differential scanning calorimetry (DSC) have been applied to study the micro-phase separation in the blends of poly(styrene-co-methylmethacrylate) (SMMA) copolymer and poly(styrene-co-maleic anhydride) (SMA) copolymer. The DSC results indicate that the SMA/SMMA blends are miscible and weak intermolecular interactions exist between SMA and SMMA. The strength of intermolecular interactions to some degree exhibits somewhat non-monotonic variation with increasing of SMA component in the blends. The results of PAL measurement present the blend containing 20 wt% SMA is phase-separated in molecular level, which is interpreted by the results of FT-IR analysis. It was concluded that it is helpful to study the miscibility of polymer blends in molecular level by means of PAL method, accompanied with the requisite measurement of DSC and FT-IR

Sem-edx and ftir studies of chlorinated rubber coating

International Nuclear Information System (INIS)

Bano, H.; Khan, M.I.

2013-01-01

Summary: Anticorrosive performance of chlorinated rubber coating has been investigated by visual examination, Scanning electron microscopy (SEM)/Energy dispersive X-ray (EDX) analysis and Fourier transform infrared (FTIR) spectroscopy. After surface preparation, commercially available coating system based on chlorinated rubber (primer)/chlorinated rubber (topcoat) formulation was applied on mild steel test panels (10cm x 15cm sizes). Prepared coated panels were exposed at marine, industrial and urban test sites located in Karachi, Pakistan according to ISO 8565 norm. Accelerated testing was performed by using a salt spray chamber (ASTM B117 norm). Accelerated weathering methods are the methods in which the factors responsible for the degradation of coatings are artificially intensified in order to achieve the rapid degradation of coatings. Visual examination of blistering and rusting as well as SEM micrographs indicated a more severe degradation of the coating surface characteristics at natural exposure testing sites (particularly at marine test site) than for accelerated (salt spray) testing. EDX determination of the Oxygen/Carbon (O/C) ratios also indicated increased degradation at natural test sites compared to the accelerated (salt spray) testing. Photooxidation of the binder results in the formation of carbonyl compounds as revealed by FTIR spectroscopy which also indicated dehydrochlorination. (author)

A Wireless Fully Passive Neural Recording Device for Unobtrusive Neuropotential Monitoring.

Science.gov (United States)

Kiourti, Asimina; Lee, Cedric W L; Chae, Junseok; Volakis, John L

2016-01-01

We propose a novel wireless fully passive neural recording device for unobtrusive neuropotential monitoring. Previous work demonstrated the feasibility of monitoring emulated brain signals in a wireless fully passive manner. In this paper, we propose a novel realistic recorder that is significantly smaller and much more sensitive. The proposed recorder utilizes a highly efficient microwave backscattering method and operates without any formal power supply or regulating elements. Also, no intracranial wires or cables are required. In-vitro testing is performed inside a four-layer head phantom (skin, bone, gray matter, and white matter). Compared to our former implementation, the neural recorder proposed in this study has the following improved features: 1) 59% smaller footprint, 2) up to 20-dB improvement in neuropotential detection sensitivity, and 3) encapsulation in biocompatible polymer. For the first time, temporal emulated neuropotentials as low as 63 μVpp can be detected in a wireless fully passive manner. Remarkably, the high-sensitivity achieved in this study implies reading of most neural signals generated by the human brain. The proposed recorder brings forward transformational possibilities in wireless fully passive neural detection for a very wide range of applications (e.g., epilepsy, Alzheimer's, mental disorders, etc.).

Non-isothermal dehydration kinetic study of aspartame hemihydrate using DSC, TGA and DSC-FTIR microspectroscopy

Directory of Open Access Journals (Sweden)

Wei-hsien Hsieh

2018-05-01

Full Text Available Three thermal analytical techniques such as differential scanning calorimetry (DSC, thermal gravimetric analysis (TGA using five heating rates, and DSC-Fourier Transform Infrared (DSC-FTIR microspectroscopy using one heating rate, were used to determine the thermal characteristics and the dehydration process of aspartame (APM hemihydrate in the solid state. The intramolecular cyclization process of APM anhydrate was also examined. One exothermic and four endothermic peaks were observed in the DSC thermogram of APM hemihydrate, in which the exothermic peak was due to the crystallization of some amorphous APM caused by dehydration process from hemihydrate to anhydride. While four endothermic peaks were corresponded to the evaporation of absorbed water, the dehydration of hemihydrate, the diketopiperazines (DKP formation via intramolecular cyclization, and the melting of DKP, respectively. The weight loss measured in TGA curve of APM hemihydrate was associated with these endothermic peaks in the DSC thermogram. According to the Flynn–Wall–Ozawa (FWO model, the activation energy of dehydration process within 100–150 °C was about 218 ± 11 kJ/mol determined by TGA technique. Both the dehydration and DKP formation processes for solid-state APM hemihydrate were markedly evidenced from the thermal-responsive changes in several specific FTIR bands by a single-step DSC-FTIR microspectroscopy. Keywords: Aspartame (APM hemihydrate, DSC/TGA, DSC-FTIR, Dehydration, Activation energy, DKP formation

The Use of FTIR and Micro-FTIR Spectroscopy: An Example of Application to Cultural Heritage

International Nuclear Information System (INIS)

La Russa, M.F.; Ruffolo, S.A.; Crisci, G.M.; Barone, G.; Mazzoleni, P.; Pezzino, A.

2011-01-01

Micro-FTIR and FTIR spectroscopy is useful for the study of degradation forms of cultural heritage. In particular it permits to identify the degradation phases and to establish the structural relationship between them and the substratum. In this paper, we report the results obtained on marble from a Roman sarcophagus, located in the medieval cloister of St. Cosimato Convent (Rome), and on oolitic limestone from the facade of St. Giuseppe Church in Syracuse (Sicily). The main components found in the samples of both monuments are: gypsum, calcium oxalate, and organic matter due to probably conservation treatments. In particular, the qualitative distribution maps of degradation products, obtained by means of micro-FTIR operating in ATR mode, revealed that the degradation process is present deep inside the stones also if it is not visible macroscopically. This process represents the main cause of crumbling of the substrate. The results of this research highlight the benefits of the μ-FTIR analysis providing useful insights on the polishing and consolidation processes of stone materials

Unobtrusive Software and System Health Management with R2U2 on a Parallel MIMD Coprocessor

Science.gov (United States)

Schumann, Johann; Moosbrugger, Patrick

2017-01-01

Dynamic monitoring of software and system health of a complex cyber-physical system requires observers that continuously monitor variables of the embedded software in order to detect anomalies and reason about root causes. There exists a variety of techniques for code instrumentation, but instrumentation might change runtime behavior and could require costly software re-certification. In this paper, we present R2U2E, a novel realization of our real-time, Realizable, Responsive, and Unobtrusive Unit (R2U2). The R2U2E observers are executed in parallel on a dedicated 16-core EPIPHANY co-processor, thereby avoiding additional computational overhead to the system under observation. A DMA-based shared memory access architecture allows R2U2E to operate without any code instrumentation or program interference.

Hydration induced material transfer in membranes of osmotic pump tablets measured by synchrotron radiation based FTIR.

Science.gov (United States)

Wu, Li; Yin, Xianzhen; Guo, Zhen; Tong, Yajun; Feng, Jing; York, Peter; Xiao, Tiqiao; Chen, Min; Gu, Jingkai; Zhang, Jiwen

2016-03-10

Osmotic pump tablets are reliable oral controlled drug delivery systems based on their semipermeable membrane coating. This research used synchrotron radiation-based Fourier transform infrared (SR-FTIR) microspectroscopy and imaging to investigate the hydration induced material transfer in the membranes of osmotic pump tablets. SR-FTIR was applied to record and map the chemical information of a micro-region of the membranes, composed of cellulose acetate (CA, as the water insoluble matrix) and polyethylene glycol (PEG, as the soluble pore forming agent and plasticizing agent). The microstructure and chemical change of membranes hydrated for 0, 5, 10 and 30min were measured using SR-FTIR, combined with scanning electronic microscopy and atom force microscopy. The SR-FTIR microspectroscopy results indicated that there was a major change at the absorption range of 2700-3100cm(-1) in the membranes after different periods of hydration time. The absorption bands at 2870-2880cm(-1) and 2950-2960cm(-1) were assigned to represent CA and PEG, respectively. The chemical group signal distribution illustrated by the ratio of PEG to CA demonstrated that the trigger of drug release in the preliminary stage was due to the rapid transfer of PEG into liquid medium with a sharp decrease of PEG in the membranes. The SR-FTIR mapping results have demonstrated the hydration induced material transfer in the membranes of osmotic pump tablets and enabled reassessment of the drug release mechanism of membrane controlled osmotic pump systems. Copyright © 2016 Elsevier B.V. All rights reserved.

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite.

Science.gov (United States)

Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E; García-García, Ramiro; Brès, Etienne F

2013-12-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI)XRD index is related to the crystal structure of the samples and the (CI)FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI)XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI)FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. © 2013.

Analysis of pork adulteration in beef meatball using Fourier transform infrared (FTIR) spectroscopy.

Science.gov (United States)

Rohman, A; Sismindari; Erwanto, Y; Che Man, Yaakob B

2011-05-01

Meatball is one of the favorite foods in Indonesia. The adulteration of pork in beef meatball is frequently occurring. This study was aimed to develop a fast and non destructive technique for the detection and quantification of pork in beef meatball using Fourier transform infrared (FTIR) spectroscopy and partial least square (PLS) calibration. The spectral bands associated with pork fat (PF), beef fat (BF), and their mixtures in meatball formulation were scanned, interpreted, and identified by relating them to those spectroscopically representative to pure PF and BF. For quantitative analysis, PLS regression was used to develop a calibration model at the selected fingerprint regions of 1200-1000 cm(-1). The equation obtained for the relationship between actual PF value and FTIR predicted values in PLS calibration model was y = 0.999x + 0.004, with coefficient of determination (R(2)) and root mean square error of calibration are 0.999 and 0.442, respectively. The PLS calibration model was subsequently used for the prediction of independent samples using laboratory made meatball samples containing the mixtures of BF and PF. Using 4 principal components, root mean square error of prediction is 0.742. The results showed that FTIR spectroscopy can be used for the detection and quantification of pork in beef meatball formulation for Halal verification purposes. Copyright © 2010 The American Meat Science Association. Published by Elsevier Ltd. All rights reserved.

The Designing of Magnetic-Driven Micromirror for Portable FTIRs

Directory of Open Access Journals (Sweden)

Shaoxi Wang

2018-01-01

Full Text Available Fourier transform infrared spectroscopy is a widely used instrument to analyze and test different materials including organic and inorganic. Most of current commercial Fourier transform infrared spectrometers are limited in miniaturization and scanning velocity by their macroscopic components. MEMS FTIR spectroscopy is one of the important applications of translational actuator-driven systems by using MEMS technology. The critical component in MEMS FTIRs is the large displacement translating micromirror and its actuator. The paper presents a large displacement and high-surface quality micromirror. The micromirror consists of a micromagnetic actuator and a micromirror plate. The mirror plate and the actuator are fabricated separately and bonded together afterwards, and its size is 3.6 × 3.6 mm2 high-surface quality square mirror plate and a 1cm2 moving part. The microactuator’s moving part is fabricated using MetalMUMPS, and its fixed part includes a ring permanent magnet and a solenoid to realize a large displacement. The mirror plate is fabricated using polished silicon coated with metal layer with high-surface prototypes that are fabricated and experimentally tested. A maximum stroke of 400 μm has been achieved in pull-in whereas only 140 μm stroke have been measured for a 4 to 5-volt DC-controlled displacement, and the resonance frequency is 10 Hz.

Unobtrusive ECG monitoring in the NICU using a capacitive sensing array

International Nuclear Information System (INIS)

Atallah, L; Meftah, M; Schellekens, M; Serteyn, A; Vullings, R; Bergmans, J W M; Osagiator, A; Oetomo, S Bambang

2014-01-01

The thin skin of preterm babies is easily damaged by adhesive electrodes, tapes, chest drains and needle-marks. The scars caused could be disfiguring or disabling to 10% of preterm newborns. Capacitive sensors present an attractive option for pervasively monitoring neonatal ECG, and can be embedded in a support system or even a garment worn by the neonate. This could improve comfort and reduce pain aiding better recovery as well as avoiding the scars caused by adhesive electrodes. In this work, we investigate the use of an array of capacitive sensors unobtrusively embedded in a mattress and used in a clinical environment for 15 preterm neonates. We also describe the analysis framework including the fusion of information from all sensors to provide a more accurate ECG signal. We propose a channel selection strategy as well as a method using physiological information to obtain a reliable ECG signal. When sensor coverage is well attained, results for both instantaneous heart rate and ECG signal shape analysis are very encouraging. The study also provides several insights on important factors affecting the results. These include the effect of textile type, number of layers, interferences (e.g. people walking by), motion severity and interventions. Incorporating this knowledge in the design of a capacitive sensing system would be crucial in ensuring that these sensors provide a reliable ECG signal when embedded in a neonatal support system. (paper)

Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) in the discrimination of normal and oral cancer blood plasma

Science.gov (United States)

Pachaiappan, Rekha; Prakasarao, Aruna; Singaravelu, Ganesan

2017-02-01

Oral cancer is the most frequent type of cancer that occurs with 75000 to 80000 new cases reported every year in India. The carcinogens from tobacco and related products are the main cause for the oral cancer. ATR-FTIR method is label free, fast and cost-effective diagnostic method would allow for rapid diagnostic results in earlier stages by the minimal chemical changes occur in the biological metabolites available in the blood plasma. The present study reports the use of ATR-FTIR data with advanced statistical model (LDA-ANN) in the diagnosis of oral cancer from normal with better accuracy. The infrared spectra were acquired on ATR-FTIR Jasco spectrophotometer at 4 cm-1 resolution, 30 scans, in the 1800-900 cm-1 spectral range. Each sample had 5 spectra recorded from each blood plasma sample. The spectral data were routed through the multilayer perception of artificial neural network to evaluate for the statistical efficacy. Among the spectral data it was found that amide II (1486 cm-1) and lipid (1526 cm-1) affords about 90 % in the discrimination between groups using LDA. These preliminary results indicate that ATR-FTIR is useful to differentiate normal subject from oral cancer patients using blood plasma.

Improving precursor adsorption characteristics in ATR-FTIR spectroscopy with a ZrO{sub 2} nanoparticle coating

Energy Technology Data Exchange (ETDEWEB)

Park, Jaeseo [Korea Research Institute of Standards and Science, Center for Vacuum Technology (Korea, Republic of); Mun, Jihun [University of Science and Technology, Department of Advanced Device Technology (Korea, Republic of); Shin, Jae-Soo; Kim, Jongho; Park, Hee Jung [Daejeon University, Department of Advanced Materials Engineering (Korea, Republic of); Kang, Sang-Woo, E-mail: swkang@kriss.re.kr [Korea Research Institute of Standards and Science, Center for Vacuum Technology (Korea, Republic of)

2017-02-15

Nanoparticles were applied to a crystal surface to increase its precursor adsorption efficiency in an attenuated total reflection Fourier transform infrared (ATR-FTIR) spectrometer. Nanoparticles with varying dispersion stabilities were employed and the resulting precursor adsorption characteristics were assessed. The size of the nanoparticles was <100 nm (TEM). In order to vary the dispersion stability, ZrO{sub 2} nanoparticles were dispersed in aqueous solutions of different pH. The ZrO{sub 2} dispersion solutions were analyzed using scanning electron microscopy (SEM) while particle distribution measurements were analyzed using electrophoretic light scattering (ELS) and dynamic light scattering (DLS) techniques. ZrO{sub 2} nanoparticles dispersed in solutions of pH 3 and 11 exhibited the most stable zeta potentials (≥+30 or ≤−30 mV); these observations were confirmed by SEM analysis and particle distribution measurements. Hexamethyldisilazane (HMDS) was used as a precursor for ATR-FTIR spectroscopy. Consequently, when ZrO{sub 2} nanoparticle solutions with the best dispersion stabilities (pH 3 and 11) were applied to the adsorption crystal surface, the measurement efficiency of ATR-FTIR spectroscopy improved by ∼200 and 300%, respectively.

DigiScope--unobtrusive collection and annotating of auscultations in real hospital environments.

Science.gov (United States)

Pereira, D; Hedayioglu, F; Correia, R; Silva, T; Dutra, I; Almeida, F; Mattos, S S; Coimbra, M

2011-01-01

Digital stethoscopes are medical devices that can collect, store and sometimes transmit acoustic auscultation signals in a digital format. These can then be replayed, sent to a colleague for a second opinion, studied in detail after an auscultation, used for training or, as we envision it, can be used as a cheap powerful tool for screening cardiac pathologies. In this work, we present the design, development and deployment of a prototype for collecting and annotating auscultation signals within real hospital environments. Our main objective is not only pave the way for future unobtrusive systems for cardiac pathology screening, but more immediately we aim to create a repository of annotated auscultation signals for biomedical signal processing and machine learning research. The presented prototype revolves around a digital stethoscope that can stream the collected audio signal to a nearby tablet PC. Interaction with this system is based on two models: a data collection model adequate for the uncontrolled hospital environments of both emergency room and primary care, and a data annotation model for offline metadata input. A specific data model was created for the repository. The prototype has been deployed and is currently being tested in two Hospitals, one in Portugal and one in Brazil.

Wearable Multi-Frequency and Multi-Segment Bioelectrical Impedance Spectroscopy for Unobtrusively Tracking Body Fluid Shifts during Physical Activity in Real-Field Applications: A Preliminary Study

Directory of Open Access Journals (Sweden)

Federica Villa

2016-05-01

Full Text Available Bioelectrical Impedance Spectroscopy (BIS allows assessing the composition of body districts noninvasively and quickly, potentially providing important physiological/clinical information. However, neither portable commercial instruments nor more advanced wearable prototypes simultaneously satisfy the demanding needs of unobtrusively tracking body fluid shifts in different segments simultaneously, over a broad frequency range, for long periods and with high measurements rate. These needs are often required to evaluate exercise tests in sports or rehabilitation medicine, or to assess gravitational stresses in aerospace medicine. Therefore, the aim of this work is to present a new wearable prototype for monitoring multi-segment and multi-frequency BIS unobtrusively over long periods. Our prototype guarantees low weight, small size and low power consumption. An analog board with current-injecting and voltage-sensing electrodes across three body segments interfaces a digital board that generates square-wave current stimuli and computes impedance at 10 frequencies from 1 to 796 kHz. To evaluate the information derivable from our device, we monitored the BIS of three body segments in a volunteer before, during and after physical exercise and postural shift. We show that it can describe the dynamics of exercise-induced changes and the effect of a sit-to-stand maneuver in active and inactive muscular districts separately and simultaneously.

Unobtrusive measurement of indoor energy expenditure using an infrared sensor-based activity monitoring system.

Science.gov (United States)

Hwang, Bosun; Han, Jonghee; Choi, Jong Min; Park, Kwang Suk

2008-11-01

The purpose of this study was to develop an unobtrusive energy expenditure (EE) measurement system using an infrared (IR) sensor-based activity monitoring system to measure indoor activities and to estimate individual quantitative EE. IR-sensor activation counts were measured with a Bluetooth-based monitoring system and the standard EE was calculated using an established regression equation. Ten male subjects participated in the experiment and three different EE measurement systems (gas analyzer, accelerometer, IR sensor) were used simultaneously in order to determine the regression equation and evaluate the performance. As a standard measurement, oxygen consumption was simultaneously measured by a portable metabolic system (Metamax 3X, Cortex, Germany). A single room experiment was performed to develop a regression model of the standard EE measurement from the proposed IR sensor-based measurement system. In addition, correlation and regression analyses were done to compare the performance of the IR system with that of the Actigraph system. We determined that our proposed IR-based EE measurement system shows a similar correlation to the Actigraph system with the standard measurement system.

Application of FTIR Spectroscopy and Chemometrics for Halal Authentication of Beef Meatball Adulterated with Dog Meat

Directory of Open Access Journals (Sweden)

Wiranti Sri Rahayu

2018-05-01

Full Text Available Beef meatball is one of the favorite meat-based food products among Indonesian community. Currently, beef is very expensive in Indonesian market compared to other common meat types such as chicken and lamb. This situation has intrigued some unethical meatball producers to replace or adulterate beef with lower priced-meat like dog meat. The objective of this study was to evaluate the capability of FTIR spectroscopy combined with chemometrics for identification and quantification of dog meat (DM in beef meatball (BM. Meatball samples were prepared by adding DM into BM ingredients in the range of 0–100% wt/wt and were subjected to extraction using Folch method. Lipid extracts obtained from the samples were scanned using FTIR spectrophotometer at 4000–650 cm-1. Partial least square (PLS calibration was used to quantify DM in the meatball. The results showed that combined frequency regions of 1782–1623 cm-1 and 1485-659 cm-1 using detrending treatment gave optimum prediction of DM in BM. Coefficient of determination (R2 for correlation between the actual value of DM and FTIR predicted value was 0.993 in calibration model and 0.995 in validation model. The root mean square error of calibration (RMSEC and standard error of cross validation (SECV were 1.63% and 2.68%, respectively. FTIR spectroscopy combined with multivariate analysis can serve as an accurate and reliable method for analysis of DM in meatball.

Fourier Transform Infrared Spectroscopy (FTIR) as a Tool for the Identification and Differentiation of Pathogenic Bacteria.

Science.gov (United States)

Zarnowiec, Paulina; Lechowicz, Łukasz; Czerwonka, Grzegorz; Kaca, Wiesław

2015-01-01

Methods of human bacterial pathogen identification need to be fast, reliable, inexpensive, and time efficient. These requirements may be met by vibrational spectroscopic techniques. The method that is most often used for bacterial detection and identification is Fourier transform infrared spectroscopy (FTIR). It enables biochemical scans of whole bacterial cells or parts thereof at infrared frequencies (4,000-600 cm(-1)). The recorded spectra must be subsequently transformed in order to minimize data variability and to amplify the chemically-based spectral differences in order to facilitate spectra interpretation and analysis. In the next step, the transformed spectra are analyzed by data reduction tools, regression techniques, and classification methods. Chemometric analysis of FTIR spectra is a basic technique for discriminating between bacteria at the genus, species, and clonal levels. Examples of bacterial pathogen identification and methods of differentiation up to the clonal level, based on infrared spectroscopy, are presented below.

Unobtrusive Detection of Mild Cognitive Impairment in Older Adults Through Home Monitoring*

Science.gov (United States)

Akl, Ahmad; Snoek, Jasper; Mihailidis, Alex

2016-01-01

The early detection of dementias such as Alzheimer’s disease can in some cases reverse, stop or slow cognitive decline and in general greatly reduce the burden of care. This is of increasing significance as demographic studies are warning of an aging population in North America and worldwide. Various smart homes and systems have been developed to detect cognitive decline through continuous monitoring of high risk individuals. However, the majority of these smart homes and systems use a number of predefined heuristics to detect changes in cognition, which has been demonstrated to focus on the idiosyncratic nuances of the individual subjects and thus does not generalize. In this paper, we address this problem by building generalized linear models of home activity of subjects monitored using unobtrusive sensing technologies. We use inhomogenous Poisson processes to model the presence of subjects within different rooms throughout the day. We employ an information theoretic approach to compare the activity distributions learned, and we observe significant statistical differences between the cognitively intact and impaired subjects. Using a simple thresholding approach, we were able to detect mild cognitive impairment in older adults with an average area under the ROC curve of 0.716 and an average area under the precision-recall curve of 0.706 using distributions estimated over time windows of 12 weeks. PMID:26841424

Unobtrusive Detection of Mild Cognitive Impairment in Older Adults Through Home Monitoring.

Science.gov (United States)

Akl, Ahmad; Snoek, Jasper; Mihailidis, Alex

2017-03-01

The early detection of dementias such as Alzheimer's disease can in some cases reverse, stop, or slow cognitive decline and in general greatly reduce the burden of care. This is of increasing significance as demographic studies are warning of an aging population in North America and worldwide. Various smart homes and systems have been developed to detect cognitive decline through continuous monitoring of high risk individuals. However, the majority of these smart homes and systems use a number of predefined heuristics to detect changes in cognition, which has been demonstrated to focus on the idiosyncratic nuances of the individual subjects, and thus, does not generalize. In this paper, we address this problem by building generalized linear models of home activity of older adults monitored using unobtrusive sensing technologies. We use inhomogenous Poisson processes to model the presence of the recruited older adults within different rooms throughout the day. We employ an information theoretic approach to compare the generalized linear models learned, and we observe significant statistical differences between the cognitively intact and impaired older adults. Using a simple thresholding approach, we were able to detect mild cognitive impairment in older adults with an average area under the ROC curve of 0.716 and an average area under the precision-recall curve of 0.706 using activity models estimated over a time window of 12 weeks.

Rapid habitability assessment of Mars samples by pyrolysis-FTIR

Science.gov (United States)

Gordon, Peter R.; Sephton, Mark A.

2016-02-01

Pyrolysis Fourier transform infrared spectroscopy (pyrolysis FTIR) is a potential sample selection method for Mars Sample Return missions. FTIR spectroscopy can be performed on solid and liquid samples but also on gases following preliminary thermal extraction, pyrolysis or gasification steps. The detection of hydrocarbon and non-hydrocarbon gases can reveal information on sample mineralogy and past habitability of the environment in which the sample was created. The absorption of IR radiation at specific wavenumbers by organic functional groups can indicate the presence and type of any organic matter present. Here we assess the utility of pyrolysis-FTIR to release water, carbon dioxide, sulfur dioxide and organic matter from Mars relevant materials to enable a rapid habitability assessment of target rocks for sample return. For our assessment a range of minerals were analyzed by attenuated total reflectance FTIR. Subsequently, the mineral samples were subjected to single step pyrolysis and multi step pyrolysis and the products characterised by gas phase FTIR. Data from both single step and multi step pyrolysis-FTIR provide the ability to identify minerals that reflect habitable environments through their water and carbon dioxide responses. Multi step pyrolysis-FTIR can be used to gain more detailed information on the sources of the liberated water and carbon dioxide owing to the characteristic decomposition temperatures of different mineral phases. Habitation can be suggested when pyrolysis-FTIR indicates the presence of organic matter within the sample. Pyrolysis-FTIR, therefore, represents an effective method to assess whether Mars Sample Return target rocks represent habitable conditions and potential records of habitation and can play an important role in sample triage operations.

The Use of FTIR and Micro-FTIR Spectroscopy: An Example of Application to Cultural Heritage

Directory of Open Access Journals (Sweden)

Mauro Francesco La Russa

2009-01-01

The main components found in the samples of both monuments are: gypsum, calcium oxalate, and organic matter due to probably conservation treatments. In particular, the qualitative distribution maps of degradation products, obtained by means of micro-FTIR operating in ATR mode, revealed that the degradation process is present deep inside the stones also if it is not visible macroscopically. This process represents the main cause of crumbling of the substrate. The results of this research highlight the benefits of the -FTIR analysis providing useful insights on the polishing and consolidation processes of stone materials.

TG-FTIR analysis of biomass pyrolysis

Energy Technology Data Exchange (ETDEWEB)

Bassilakis, R.; Carangelo, R.M.; Wojtowicz, M.A. [Advanced Fuel Research Inc., Hartford, CT (United States)

2001-10-09

A great need exists for comprehensive biomass-pyrolysis models that could predict yields and evolution patterns of selected volatile products as a function of feedstock characteristics and process conditions. A thermogravimetric analyzer coupled with Fourier transform infrared analysis of evolving products (TG-FTIR) can provide useful input to such models in the form of kinetic information obtained under low heating rate conditions. In this work, robust TG-FTIR quantification routes were developed for infrared analysis of volatile products relevant to biomass pyrolysis. The analysis was applied to wheat straw, three types of tobacco (Burley, Oriental, and Bright) and three biomass model compounds (xylan, chlorogenic acid, and D-glucose). Product yields were compared with literature data, and species potentially quantifiable by FT-IR are reviewed. Product-evolution patterns are reported for all seven biomass samples. 41 refs., 7 figs., 2 tabs.

Spectroelectrochemical study of polyphenylene by in situ external reflection FT-IR spectroscopy. Pt. 2

International Nuclear Information System (INIS)

Kvarnstroem, C.; Ivaska, A.

1994-01-01

In situ external reflection FT-IR measurements are performed during cyclic voltammetric scans on electrochemically polymerized polyphenylene films. The films are polymerized either in 0.1 or 0.8 M biphenyl in 0.1 M TBABF 4 in acetonitrile. Changes in the IR spectrum of films of different thicknesses are studied when the films are potentially cycled from the neutral to the oxidized states of the polymer. No differences between films made in high or low dimer concentration can be observed in the spectra. The potential-dependent insertion and expulsion of solvent, residual water, anions and cations in and out of the film have different behaviour in films of different thicknesses. Changes in the structure of the segments in the film, from the benzenoid form into the quinoid form, can be followed. Differences between the first and subsequent cyclic potential scans are observed. (orig.)

DSC, X-ray and FTIR studies of a gemfibrozil/dimethyl-β-cyclodextrin inclusion complex produced by co-grinding.

Science.gov (United States)

Aigner, Z; Berkesi, O; Farkas, G; Szabó-Révész, P

2012-01-05

The steps of formation of an inclusion complex produced by the co-grinding of gemfibrozil and dimethyl-β-cyclodextrin were investigated by differential scanning calorimetry (DSC), X-ray powder diffractometry (XRPD) and Fourier transform infrared (FTIR) spectroscopy with curve-fitting analysis. The endothermic peak at 59.25°C reflecting the melting of gemfibrozil progressively disappeared from the DSC curves of the products on increase of the duration of co-grinding. The crystallinity of the samples too gradually decreased, and after 35min of co-grinding the product was totally amorphous. Up to this co-grinding time, XRPD and FTIR investigations indicated a linear correlation between the cyclodextrin complexation and the co-grinding time. After co-grinding for 30min, the ratio of complex formation did not increase. These studies demonstrated that co-grinding is a suitable method for the complexation of gemfibrozil with dimethyl-β-cyclodextrin. XRPD analysis revealed the amorphous state of the gemfibrozil-dimethyl-β-cyclodextrin product. FTIR spectroscopy with curve-fitting analysis may be useful as a semiquantitative analytical method for discriminating the molecular and amorphous states of gemfibrozil. Copyright © 2011 Elsevier B.V. All rights reserved.

Prion structure investigated in situ, ex vivo, and in vitro by FTIR spectroscopy

Science.gov (United States)

Kneipp, Janina; Miller, Lisa M.; Spassov, Sashko; Sokolowski, Fabian; Lasch, Peter; Beekes, Michael; Naumann, Dieter

2004-07-01

Syrian hamster nervous tissue was investigated by FTIR microspectroscopy with conventional and synchrotron infrared light sources. Various tissue structures from the cerebellum and medulla oblongata of scrapie-infected and control hamsters were investigated at a spatial resolution of 50 μm. Single neurons in dorsal root ganglia of scrapie-infected hamsters were analyzed by raster scan mapping at 6 μm spatial resolution. These measurements enabled us to (i) scrutinize structural differences between infected and non-infected tissue and (ii) analyze for the first time the distribution of different protein structures in situ within single nerve cells. Single nerve cells exhibited areas of increased β-sheet content, which co-localized consistently with accumulations of the pathological prion protein (PrPSc). Spectral data were also obtained from purified, partly proteinase K digested PrPSc isolated from scrapie-infected nervous tissue of hamsters to elucidate similarities/dissimilarities between prion structure in situ and ex vivo. A further comparison is drawn to the recombinant Syrian hamster prion protein SHaPrP90-232, whose in vitro transition from the predominantly a-helical isoform to β-sheet rich oligomeric structures was also investigated by FTIR spectroscopy.

Potential Applications of Scanning Probe Microscopy in Forensic Science

International Nuclear Information System (INIS)

Watson, G S; Watson, J A

2007-01-01

The forensic community utilises a myriad of techniques to investigate a wide range of materials, from paint flakes to DNA. The various microscopic techniques have provided some of the greatest contributions, e.g., FT-IR (Fourier-transform infrared) microspectroscopy utilised in copy toner discrimination, multi-layer automobile paint fragment examination, etc, SEM-EDA (scanning electron microscopy with energy dispersive analysis) used to investigate glass fragments, fibers, and explosives, and SEM in microsampling for elemental analysis, just to name a few. This study demonstrates the ability of the Scanning Probe Microscope (SPM) to analyse human fingerprints on surfaces utilising a step-and-scan feature, enabling analysis of a larger field-of-view. We also extend a line crossings study by incorporating height analysis and surface roughness measurements. The study demonstrates the potential for SPM techniques to be utilised for forensic analysis which could complement the more traditional methodologies used in such investigations

Potential Applications of Scanning Probe Microscopy in Forensic Science

Energy Technology Data Exchange (ETDEWEB)

Watson, G S [Nanoscale Science and Technology Centre, School of Science, Griffith University, Kessels Rd, Nathan, QLD, 4111 (Australia); Watson, J A [Nanoscale Science and Technology Centre, School of Science, Griffith University, Kessels Rd, Nathan, QLD, 4111 (Australia)

2007-04-15

The forensic community utilises a myriad of techniques to investigate a wide range of materials, from paint flakes to DNA. The various microscopic techniques have provided some of the greatest contributions, e.g., FT-IR (Fourier-transform infrared) microspectroscopy utilised in copy toner discrimination, multi-layer automobile paint fragment examination, etc, SEM-EDA (scanning electron microscopy with energy dispersive analysis) used to investigate glass fragments, fibers, and explosives, and SEM in microsampling for elemental analysis, just to name a few. This study demonstrates the ability of the Scanning Probe Microscope (SPM) to analyse human fingerprints on surfaces utilising a step-and-scan feature, enabling analysis of a larger field-of-view. We also extend a line crossings study by incorporating height analysis and surface roughness measurements. The study demonstrates the potential for SPM techniques to be utilised for forensic analysis which could complement the more traditional methodologies used in such investigations.

Study of the gamma radiation effect on lincomycin by two techniques thermal analysis and fourier transform infrared (FTIR)

International Nuclear Information System (INIS)

Al-Zier, A.; Al-Kassiri, H.; Al Aji, Z.

1999-02-01

Sample of Lincomycin were irradiated by means of gamma radiation ( 60 Co) at dose rate ca. (408 kGy/h) in the range (3, 5, 15, 20)kGy in presence of air. Samples were investigated using two techniques: Thermal analysis (Differential Scanning Calorimetry (DSC) and Thermogravimetry (TG)) and Fourier Transform Infrared (FTIR). DSC purity study, which depends on Vant Hof equation, showed that the purity of Lincomycin reduced by means of gamma radiation. The purity of theses samples decreased by increasing the dose, and the purity of lincomycin was still above (99%) at dose (10 kGy). To follow up this effects, (FTIR) spectrums of these sample were recorded before and after irradiation. The two peaks at (1500 - 1750 Cm -1 ) which belong to amide group, and the peak at (1050 - 1100 Cm -1 ) which belongs to the S-C groups have reduced. (author)

Raman and FTIR spectroscopy of methane in olivine

Science.gov (United States)

Smith, A.; Oze, C.; Rossman, G. R.; Celestian, A. J.

2017-12-01

Olivine has been proposed to be a direct source of methane (CH4) in serpentinization systems and experiments. Here, Raman and Fourier Transform Infrared (FTIR) spectroscopy were used to verify the presence and abundance of CH4 in olivine samples from nine localities, including the San Carlos olivine. Raman analyses did not identify any methane in the olivine samples. As olivine is orthorhombic, three polarized FTIR spectra were obtained for the olivine samples. No methane was detected in any of the olivine samples using FTIR. Overall, olivine investigated in this study does not appear to be a primary source of methane.

FT-IR Microspectroscopy of Rat Ear Cartilage.

Directory of Open Access Journals (Sweden)

Benedicto de Campos Vidal

Full Text Available Rat ear cartilage was studied using Fourier transform-infrared (FT-IR microspectroscopy to expand the current knowledge which has been established for relatively more complex cartilage types. Comparison of the FT-IR spectra of the ear cartilage extracellular matrix (ECM with published data on articular cartilage, collagen II and 4-chondroitin-sulfate standards, as well as of collagen type I-containing dermal collagen bundles (CBs with collagen type II, was performed. Ear cartilage ECM glycosaminoglycans (GAGs were revealed histochemically and as a reduction in ECM FT-IR spectral band heights (1140-820 cm-1 after testicular hyaluronidase digestion. Although ear cartilage is less complex than articular cartilage, it contains ECM components with a macromolecular orientation as revealed using polarization microscopy. Collagen type II and GAGs, which play a structural role in the stereo-arrangement of the ear cartilage, contribute to its FT-IR spectrum. Similar to articular cartilage, ear cartilage showed that proteoglycans add a contribution to the collagen amide I spectral region, a finding that does not recommend this region for collagen type II quantification purposes. In contrast to articular cartilage, the symmetric stretching vibration of -SO3- groups at 1064 cm-1 appeared under-represented in the FT-IR spectral profile of ear cartilage. Because the band corresponding to the asymmetric stretching vibration of -SO3- groups (1236-1225 cm-1 overlapped with that of amide III bands, it is not recommended for evaluation of the -SO3- contribution to the FT-IR spectrum of the ear cartilage ECM. Instead, a peak (or shoulder at 1027-1016 cm-1 could be better considered for this intent. Amide I/amide II ratios as calculated here and data from the literature suggest that protein complexes of the ear cartilage ECM are arranged with a lower helical conformation compared to pure collagen II. The present results could motivate further studies on this tissue

FTIR Laboratory in Support of the PV Program

International Nuclear Information System (INIS)

Keyes, B. M.; Gedvilas, L. M.; Bhattacharya, R.; Xu, Y.; Li, X.; Wang, Q.

2005-01-01

The Fourier Transform Infrared Spectroscopy (FTIR) Laboratory supports the Solar Energy Technologies Program through the measurement and characterization of solar energy-related materials and devices. The FTIR technique is a fast, accurate, and reliable method for studying molecular structure and composition. This ability to identify atomic species and their bonding environment is a powerful combination that finds use in many research and development efforts. A brief overview of the technical approach used is contained in Section 2 of this report. Because of its versatility and accessibility, the FTIR Laboratory is a valuable contributor to the Solar Energy Technologies Program. The laboratory provides support for, and collaborates with, several in-house programs as well as our industry and university partners. By the end of FY 2004, the FTIR Laboratory performed over 1100 measurements on PV-related materials. These contributions resulted in conference and workshop presentations and several peer-reviewed publications. A brief summary of a few of these efforts is contained in Section 3 of this report

Study of melanoma invasion by FTIR spectroscopy

Science.gov (United States)

Yang, Y.; Sulé-Suso, J.; Sockalingum, G. D.

2008-02-01

Compared to other forms of skin cancer, a malignant melanoma has a high risk of spreading to other parts of the body. Melanoma invasion is a complex process involving changes in cell-extracellular matrix (ECM) interaction and cell-cell interactions. To fully understand the factors which control the invasion process, a human skin model system was reconstructed. HBL (a commercially available cell line) melanoma cells were seeded on a skin model with and without the presence of keratinocytes and/or fibroblasts. After 14 days culture, the skin specimens were fixed, parafin embedded and cut into 7 µm sections. The de-parafinised sections were investigated by synchrotron Fourier transformed infrared (FTIR) microspectroscopy to study skin cell invasion behaviour. The advantage of using FTIR is its ability to obtain the fingerprint information of the invading cells in terms of protein secondary structure in comparison to non-invading cells and the concentration of the enzyme (matrix-metalloproteinase) which digests protein matrix, near the invading cells. With aid of the spectral mapping images, it is possible to pinpoint the cells in non-invasion and invasion area and analyse the respective spectra. It has been observed that the protein bands in cells and matrix shifted between non-invasive and invasive cells in the reconstructed skin model. We hypothesise that by careful analysis of the FTIR data and validation by other models, FTIR studies can reveal information on which type of cells and proteins are involved in melanoma invasion. Thus, it is possible to trace the cell invasion path by mapping the spectra along the interface of cell layer and matrix body by FTIR spectroscopy.

Study of the gamma radiation effect on the lincomycin by two techniques thermal analysis and fourier transform infrared (FTIR)

International Nuclear Information System (INIS)

Al-Zier, A.; Al-Kassiri, H.

1999-01-01

Sample of Lincomycin were irradiated by means of gamma radiation ( 60 Co) at dose rate ca. (408 kGy/h) in the range (3, 5, 15, 20)kGy in presence of air. Samples were investigated using two techniques: Thermal analysis (Differential Scanning Calorimetry (DSC) and Thermogravimetry (TG)) and Fourier Transform Infrared (FTIR). DSC purity study, which depends on Vant Hof equation, showed that the purity of Lincomycin reduced by means of gamma radiation. The purity of theses samples decreased by increasing the dose, and the purity of lincomycin was still above (99%) at dose (10 kGy). To follow up this effects, (FTIR) spectrums of these sample were recorded before and after irradiation. The two peaks at (1500 - 1750 Cm -1 ) which belong to amide group, and the peak at (1050 - 1100 Cm -1 ) which belongs to the S-C groups have reduced. (author)

Some critical aspects of FT-IR, TGA, powder XRD, EDAX and SEM studies of calcium oxalate urinary calculi.

Science.gov (United States)

Joshi, Vimal S; Vasant, Sonal R; Bhatt, J G; Joshi, Mihir J

2014-06-01

Urinary calculi constitute one of the oldest afflictions of humans as well as animals, which are occurring globally. The calculi vary in shape, size and composition, which influence their clinical course. They are usually of the mixed-type with varying percentages of the ingredients. In medical management of urinary calculi, either the nature of calculi is to be known or the exact composition of calculi is required. In the present study, two selected calculi were recovered after surgery from two different patients for detailed examination and investigated by using Fourier-Transform infrared spectroscopy (FT-IR), thermo-gravimetric analysis (TGA), powder X-ray diffraction (XRD), scanning electron microscopy and energy dispersive analysis of X-rays (EDAX) techniques. The study demonstrated that the nature of urinary calculi and presence of major phase in mixed calculi could be identified by FT-IR, TGA and powder XRD, however, the exact content of various elements could be found by EDAX only.

BreathSens: A Continuous On-Bed Respiratory Monitoring System With Torso Localization Using an Unobtrusive Pressure Sensing Array.

Science.gov (United States)

Liu, Jason J; Huang, Ming-Chun; Xu, Wenyao; Zhang, Xiaoyi; Stevens, Luke; Alshurafa, Nabil; Sarrafzadeh, Majid

2015-09-01

The ability to continuously monitor respiration rates of patients in homecare or in clinics is an important goal. Past research showed that monitoring patient breathing can lower the associated mortality rates for long-term bedridden patients. Nowadays, in-bed sensors consisting of pressure sensitive arrays are unobtrusive and are suitable for deployment in a wide range of settings. Such systems aim to extract respiratory signals from time-series pressure sequences. However, variance of movements, such as unpredictable extremities activities, affect the quality of the extracted respiratory signals. BreathSens, a high-density pressure sensing system made of e-Textile, profiles the underbody pressure distribution and localizes torso area based on the high-resolution pressure images. With a robust bodyparts localization algorithm, respiratory signals extracted from the localized torso area are insensitive to arbitrary extremities movements. In a study of 12 subjects, BreathSens demonstrated its respiratory monitoring capability with variations of sleep postures, locations, and commonly tilted clinical bed conditions.

TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides

International Nuclear Information System (INIS)

Sawicka, Marlena; Storoniak, Piotr; Skurski, Piotr; Blazejowski, Jerzy; Rak, Janusz

2006-01-01

The thermal decomposition of quaternary methylammonium halides was studied using thermogravimetry coupled to FTIR (TG-FTIR) and differential scanning calorimetry (DSC) as well as the DFT, MP2 and G2 quantum chemical methods. There is almost perfect agreement between the experimental IR spectra and those predicted at the B3LYP/6-311G(d,p) level: this has demonstrated for the first time that an equimolar mixture of trimethylamine and a methyl halide is produced as a result of decomposition. The experimental enthalpies of dissociation are 153.4, 171.2, and 186.7 kJ/mol for chloride, bromide and iodide, respectively, values that correlate well with the calculated enthalpies of dissociation based on crystal lattice energies and quantum chemical thermodynamic barriers. The experimental activation barriers estimated from the least-squares fit of the F1 kinetic model (first-order process) to thermogravimetric traces - 283, 244 and 204 kJ/mol for chloride, bromide and iodide, respectively - agree very well with theoretically calculated values. The theoretical approach assumed in this work has been shown capable of predicting the relevant characteristics of the thermal decomposition of solids with experimental accuracy

FTIR and morphology of liquid epoxidized natural rubber acrylate (LENRA)/silica hybrid composites

International Nuclear Information System (INIS)

Eda Yuhana Ariffin; Azizan Ahmad; Dahlan Mohd; Mahathir Mohamed

2009-01-01

Synthesis of organic-inorganic hybrid composites was carried out by combination of liquid epoxidized natural rubber acrylate (LENRA) and silica. Silica was introduce to the matrix by sol gel technique. The sol-gel technique was employed to prepare silica using tetraethyorthosilicate (TEOS) as precursor. HDDA and irga cure 184 were added to the formulations as reactive diluents and photosensitizer, respectively. The chemical modification was studied by Fourier Transform Infrared (FTIR) and energy dispersive X-ray analysis (EDAX). The morphological studies were conducted by the optical and scanning electron microscopes (SEM). It shows that silica was dispersed very well in the matrix for lower concentration of TEOS while agglomeration occurs at the higher concentration. The average particles size of silica were less than 100 nm. (Author)

Biological Applications Of Fourier Transform Infrared (FTIR) Or Bloody FTIR

Science.gov (United States)

Jakobsen, R. J.; Winters, S.; Gendreau, R. M.

1981-10-01

An ex vivo FT-IR/ATR experiment for studying blood protein adsorption at the molecular level is described. This experiment involves the use of live dogs pumping the blood through a arterial-veinal shunt to the ATR cell and back into the animal. The results from these live dog experiments are compared to results obtained using donated whole blood. These experiments demonstrate that FT-IR can be used to study aqueous, physiological, flowing solutions in real time with the sensitivity necessary to detect minor changes.

A study of Ganoderma lucidum spores by FTIR microspectroscopy

Science.gov (United States)

Wang, Xin; Chen, Xianliang; Qi, Zeming; Liu, Xingcun; Li, Weizu; Wang, Shengyi

2012-06-01

In order to obtain unique information of Ganoderma lucidum spores, FTIR microspectroscopy was used to study G. lucidum spores from Anhui Province (A), Liaoning Province (B) and Shangdong Province (C) of China. IR micro-spectra were acquired with high-resolution and well-reproducibility. The IR spectra of G. lucidum spores from different areas were similar and mainly made up of the absorption bands of polysaccharide, sterols, proteins, fatty acids, etc. The results of curve fitting indicated the protein secondary structures were dissimilar among the above G. lucidum spores. To identify G. lucidum spores from different areas, the H1078/H1640 value might be a potentially useful factor, furthermore FTIR microspectroscopy could realize this identification efficiently with the help of hierarchical cluster analysis. The result indicates FTIR microspectroscopy is an efficient tool for identification of G. lucidum spores from different areas. The result also suggests FTIR microspectroscopy is a potentially useful tool for the study of TCM.

Identification of the finishing technique of an early eighteenth century musical instrument using FTIR spectromicroscopy.

Science.gov (United States)

Bertrand, Loïc; Robinet, Laurianne; Cohen, Serge X; Sandt, Christophe; Le Hô, Anne-Solenn; Soulier, Balthazar; Lattuati-Derieux, Agnès; Echard, Jean-Philippe

2011-03-01

The study of varnishes from musical instruments presents the difficulty of analysing very thin layers of heterogeneous materials on samples most of which are generally brittle and difficult to prepare. Such study is crucial to the understanding of historical musical instrument varnishing practices since written sources before 1800 are very rare and not precise. Fourier-transform infrared (FTIR) spectroscopy and imaging methods were applied to identify the major chemical components within the build-up of the varnish layers on a cello made by one of the most prominent French violin-makers of the eighteenth century (Jacques Boquay, ca. 1680-1730). Two types of FTIR imaging methods were used: scanning with a synchrotron-based microscope and full-field imaging using a 2D imager with a conventional source. An interpretation of the results obtained from these studies on the Boquay cello is that the maker first applied a proteinaceous layer, probably gelatine-based animal glue. He later applied a second layer based on a mixture of a drying oil and diterpenic resin from Pinaceae sp. From an historical perspective, the results complement previous studies by describing a second technique used for musical instrument finishes at the beginning of the eighteenth century in Europe.

Unobtrusive Nocturnal Heartbeat Monitoring by a Ballistocardiographic Sensor in Patients with Sleep Disordered Breathing.

Science.gov (United States)

Zink, Matthias Daniel; Brüser, Christoph; Stüben, Björn-Ole; Napp, Andreas; Stöhr, Robert; Leonhardt, Steffen; Marx, Nikolaus; Mischke, Karl; Schulz, Jörg B; Schiefer, Johannes

2017-10-13

Sleep disordered breathing (SDB) is known for fluctuating heart rates and an increased risk of developing arrhythmias. The current reference for heartbeat analysis is an electrocardiogram (ECG). As an unobtrusive alternative, we tested a sensor foil for mechanical vibrations to perform a ballistocardiography (BCG) and applied a novel algorithm for beat-to-beat cycle length detection. The aim of this study was to assess the correlation between beat-to-beat cycle length detection by the BCG algorithm and simultaneously recorded ECG. In 21 patients suspected for SDB undergoing polysomnography, we compared ECG to simultaneously recorded BCG data analysed by our algorithm. We analysed 362.040 heartbeats during a total of 93 hours of recording. The baseline beat-to-beat cycle length correlation between BCG and ECG was r s  = 0.77 (n = 362040) with a mean absolute difference of 15 ± 162 ms (mean cycle length: ECG 923 ± 220 ms; BCG 908 ± 203 ms). After filtering artefacts and improving signal quality by our algorithm, the correlation increased to r s  = 0.95 (n = 235367) with a mean absolute difference in cycle length of 4 ± 72 ms (ECG 920 ± 196 ms; BCG 916 ± 194 ms). We conclude that our algorithm, coupled with a BCG sensor foil provides good correlation of beat-to-beat cycle length detection with simultaneously recorded ECG.

Advances in simultaneous DSC-FTIR microspectroscopy for rapid solid-state chemical stability studies: some dipeptide drugs as examples.

Science.gov (United States)

Lin, Shan-Yang; Wang, Shun-Li

2012-04-01

The solid-state chemistry of drugs has seen growing importance in the pharmaceutical industry for the development of useful API (active pharmaceutical ingredients) of drugs and stable dosage forms. The stability of drugs in various solid dosage forms is an important issue because solid dosage forms are the most common pharmaceutical formulation in clinical use. In solid-state stability studies of drugs, an ideal accelerated method must not only be selected by different complicated methods, but must also detect the formation of degraded product. In this review article, an analytical technique combining differential scanning calorimetry and Fourier-transform infrared (DSC-FTIR) microspectroscopy simulates the accelerated stability test, and simultaneously detects the decomposed products in real time. The pharmaceutical dipeptides aspartame hemihydrate, lisinopril dihydrate, and enalapril maleate either with or without Eudragit E were used as testing examples. This one-step simultaneous DSC-FTIR technique for real-time detection of diketopiperazine (DKP) directly evidenced the dehydration process and DKP formation as an impurity common in pharmaceutical dipeptides. DKP formation in various dipeptides determined by different analytical methods had been collected and compiled. Although many analytical methods have been applied, the combined DSC-FTIR technique is an easy and fast analytical method which not only can simulate the accelerated drug stability testing but also at the same time enable to explore phase transformation as well as degradation due to thermal-related reactions. This technique offers quick and proper interpretations. Copyright © 2012 Elsevier B.V. All rights reserved.

Ground-based FTIR retrievals of SF6 on Reunion Island

Directory of Open Access Journals (Sweden)

M. Zhou

2018-02-01

Full Text Available SF6 total columns were successfully retrieved from FTIR (Fourier transform infrared measurements (Saint Denis and Maïdo on Reunion Island (21° S, 55° E between 2004 and 2016 using the SFIT4 algorithm: the retrieval strategy and the error budget were presented. The FTIR SF6 retrieval has independent information in only one individual layer, covering the whole of the troposphere and the lower stratosphere. The trend in SF6 was analysed based on the FTIR-retrieved dry-air column-averaged mole fractions (XSF6 on Reunion Island, the in situ measurements at America Samoa (SMO and the collocated satellite measurements (Michelson Interferometer for Passive Atmospheric Sounding, MIPAS, and Atmospheric Chemistry Experiment Fourier Transform Spectrometer, ACE-FTS in the southern tropics. The SF6 annual growth rate from FTIR retrievals is 0.265 ± 0.013 pptv year−1 for 2004–2016, which is slightly weaker than that from the SMO in situ measurements (0.285 ± 0.002 pptv year−1 for the same time period. The SF6 trend in the troposphere from MIPAS and ACE-FTS observations is also close to the ones from the FTIR retrievals and the SMO in situ measurements.

Ground-based FTIR retrievals of SF6 on Reunion Island

Science.gov (United States)

Zhou, Minqiang; Langerock, Bavo; Vigouroux, Corinne; Wang, Pucai; Hermans, Christian; Stiller, Gabriele; Walker, Kaley A.; Dutton, Geoff; Mahieu, Emmanuel; De Mazière, Martine

2018-02-01

SF6 total columns were successfully retrieved from FTIR (Fourier transform infrared) measurements (Saint Denis and Maïdo) on Reunion Island (21° S, 55° E) between 2004 and 2016 using the SFIT4 algorithm: the retrieval strategy and the error budget were presented. The FTIR SF6 retrieval has independent information in only one individual layer, covering the whole of the troposphere and the lower stratosphere. The trend in SF6 was analysed based on the FTIR-retrieved dry-air column-averaged mole fractions (XSF6) on Reunion Island, the in situ measurements at America Samoa (SMO) and the collocated satellite measurements (Michelson Interferometer for Passive Atmospheric Sounding, MIPAS, and Atmospheric Chemistry Experiment Fourier Transform Spectrometer, ACE-FTS) in the southern tropics. The SF6 annual growth rate from FTIR retrievals is 0.265 ± 0.013 pptv year-1 for 2004-2016, which is slightly weaker than that from the SMO in situ measurements (0.285 ± 0.002 pptv year-1) for the same time period. The SF6 trend in the troposphere from MIPAS and ACE-FTS observations is also close to the ones from the FTIR retrievals and the SMO in situ measurements.

Pressure-modulation dynamic attenuated-total-reflectance (ATR) FT-IR spectroscopy

Science.gov (United States)

Marcott, C.; Story, G. M.; Noda, I.; Bibby, A.; Manning, C. J.

1998-06-01

A single-reflectance attenuated-total-reflectance (ATR) accessory with a diamond internal-reflection element was modified by the addition of a piezoelectric transducer. Initial dynamic pressure-modulation experiments have been performed in the sample compartment of a step-scanning FT-IR spectrometer. A sinusoidal pressure modulation applied to samples of isotactic polypropylene and linear low density polyethylene resulted in dynamic responses which appear to be similar to those observed in previous dynamic 2D IR experiments. Preliminary pressure-modulation dynamic ATR results are also reported for a styrene-butadiene-styrene triblock copolymer. The new method has the advantages that a much wider variety of sample types and geometries can be studied and less sample preparation is required. Dynamic 2D IR experiments carried out by ATR no longer require thin films of large area and sufficient strength to withstand the dynamic strain applied by a rheometer. The ability to obtain dynamic IR spectroscopic information from a wider variety of sample types and thicknesses would greatly expand the amount of useful information that could be extracted from normally complicated, highly overlapped IR spectra.

Sol-gel route of synthesis of nanoparticles of MgFe2O4 and XRD, FTIR and VSM study

International Nuclear Information System (INIS)

Pradeep, A.; Priyadharsini, P.; Chandrasekaran, G.

2008-01-01

Nanoparticles of MgFe 2 O 4 are synthesized using sol-gel autocombustion method. Structural studies are carried out using X-ray diffraction (XRD). The XRD pattern of MgFe 2 O 4 provides information about single-phase formation of spinel structure with cubic symmetry. The grain size and lattice constant are obtained using XRD data. The cation distribution is also proposed theoretically. The change in site preference of cations in nano-MgFe 2 O 4 is compared with its bulk counterpart. The structural morphology of the nanoparticles is studied using Scanning Electron Microscopy (SEM). Formation of spinel structure is conformed using Fourier transform infrared spectroscopy (FTIR), which also lends support for the cation distribution proposed using XRD data. The effect of nanoregime on parameters such as bond length, vibration frequency and force constant are discussed with the help of FTIR data. The M-H loop of MgFe 2 O 4 has been traced using the Vibrating Sample Magnetometer (VSM) and magnetic parameters such as saturation magnetization (M S ), coercivity (H C ) and retentivity (M R ) are obtained from VSM data

Compositional characterization of carbon electrode material: A study using simultaneous TG-DTA-FTIR

International Nuclear Information System (INIS)

Raje, Naina; Aacherekar, Darshana A.; Reddy, A.V.R.

2009-01-01

Present work describes the application of thermal methods, especially the evolved gas analysis (EGA) for the compositional characterization of carbon electrode material with respect to its organic, amorphous and graphitic carbon content. Trace levels of organic carbon present in the amorphous carbon samples were determined qualitatively by using FTIR absorption spectroscopy. Amorphous and graphitic carbon content in synthetic mixture samples were determined quantitatively using simultaneous TG-DTA-FTIR measurements. FTIR system was calibrated using the measured absorption signal of the evolved carbon dioxide due to the decomposition of cadmium carbonate. Inter-comparison studies using TG-FTIR measurements show that simultaneous FTIR spectroscopy is an effective complementary quantitative measurement technique for thermogravimetric analysis involving the complex decomposition reaction processes.

A Smart-Home System to Unobtrusively and Continuously Assess Loneliness in Older Adults.

Science.gov (United States)

Austin, Johanna; Dodge, Hiroko H; Riley, Thomas; Jacobs, Peter G; Thielke, Stephen; Kaye, Jeffrey

2016-01-01

Loneliness is a common condition in older adults and is associated with increased morbidity and mortality, decreased sleep quality, and increased risk of cognitive decline. Assessing loneliness in older adults is challenging due to the negative desirability biases associated with being lonely. Thus, it is necessary to develop more objective techniques to assess loneliness in older adults. In this paper, we describe a system to measure loneliness by assessing in-home behavior using wireless motion and contact sensors, phone monitors, and computer software as well as algorithms developed to assess key behaviors of interest. We then present results showing the accuracy of the system in detecting loneliness in a longitudinal study of 16 older adults who agreed to have the sensor platform installed in their own homes for up to 8 months. We show that loneliness is significantly associated with both time out-of-home ([Formula: see text] and [Formula: see text]) and number of computer sessions ([Formula: see text] and [Formula: see text]). [Formula: see text] for the model was 0.35. We also show the model's ability to predict out-of-sample loneliness, demonstrating that the correlation between true loneliness and predicted out-of-sample loneliness is 0.48. When compared with the University of California at Los Angeles loneliness score, the normalized mean absolute error of the predicted loneliness scores was 0.81 and the normalized root mean squared error was 0.91. These results represent first steps toward an unobtrusive, objective method for the prediction of loneliness among older adults, and mark the first time multiple objective behavioral measures that have been related to this key health outcome.

Raman and FTIR spectra of CeO{sub 2} and Gd{sub 2}O{sub 3} in iron phosphate glasses

Energy Technology Data Exchange (ETDEWEB)

Lai, Yuanming, E-mail: laiyuanming@ipm.com.cn [State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Kunming Institute of Precious Metals, Kunming 650106 (China); State Key Laboratory Cultivation Base for Nonmetal Composite and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Liang, Xiaofeng; Yang, Shiyuan [State Key Laboratory Cultivation Base for Nonmetal Composite and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Liu, Pei; Zeng, Yiming; Hu, Changyi [State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Kunming Institute of Precious Metals, Kunming 650106 (China)

2014-12-25

Highlights: • The structure of the studied samples has been investigated by Raman and FTIR spectroscopy. • The structure for the all samples has similar features. • The structure consists of predominantly Q{sup 1} with a fraction of Q{sup 0} and Q{sup 2} units. • The Ce and Gd enters in the structure of studied glasses as a network modifier. - Abstract: In the present work, multicomponent oxide samples of composition x(CeO{sub 2} + Gd{sub 2}O{sub 3})–(40 − x)Fe{sub 2}O{sub 3}–60P{sub 2}O{sub 5} (0 ⩽ x ⩽ 8 mol%) were produced by conventional melting method. The samples were investigated to examine the effect of the CeO{sub 2} and Gd{sub 2}O{sub 3} composition on the structure of the iron phosphate glasses system. The X-ray diffraction analysis (XRD) and scanning electron microscopy (SEM) for the x ⩽ 6 mol% samples show all the samples formed homogeneous glass, but for the x = 8 mol% samples show the presence of randomly distributed crystalline phase embedded in an amorphous matrix. The x(CeO{sub 2} + Gd{sub 2}O{sub 3})–(40 − x)Fe{sub 2}O{sub 3}–60P{sub 2}O{sub 5} glass containing 8 mol% CeO{sub 2} and Gd{sub 2}O{sub 3} partially crystallized during annealing and Ce/Gd-rich were identified by EDS in the crystalline phase. The structure of the studied samples has been investigated using Raman and Fourier transform infrared spectroscopy (FTIR). The Raman and FTIR spectra for the samples have analogous spectral features. The Raman and FTIR spectra suggest that the structure is mainly constituted by the pyrophosphate glass based structure, with a part proportion of metaphosphate and orthophosphate structure. Raman and FTIR spectra allowed us to identify the structural units which appear in the structural network of these phosphate glasses and also the network modifier role of cerium and gadolinium ions.

Air Contamination Quantification by FTIR with Gas Cell

Science.gov (United States)

Freischlag, Jason

2017-01-01

Air quality is of utmost importance in environmental studies and has many industrial applications such as aviators grade breathing oxygen (ABO) for pilots and breathing air for fire fighters. Contamination is a major concern for these industries as identified in MIL-PRF-27210, CGA G-4.3, CGA G-7.1, and NFPA 1989. Fourier Transform Infrared Spectroscopy (FTIR) is a powerful tool that when combined with a gas cell has tremendous potential for gas contamination analysis. Current procedures focus mostly on GC-MS for contamination quantification. Introduction of this topic will be done through a comparison of the currently used deterministic methods for gas contamination with those of FTIR gas analysis. Certification of the mentioned standards through the ISOIEC 17065 certifying body A2LA will be addressed followed by an evaluation of quality information such as the determinations of linearity and the limits of detection and quantitation. Major interferences and issues arising from the use of the FTIR for accredited work with ABO and breathing air will be covered.

Ultra-compact MEMS FTIR spectrometer

Science.gov (United States)

Sabry, Yasser M.; Hassan, Khaled; Anwar, Momen; Alharon, Mohamed H.; Medhat, Mostafa; Adib, George A.; Dumont, Rich; Saadany, Bassam; Khalil, Diaa

2017-05-01

Portable and handheld spectrometers are being developed and commercialized in the late few years leveraging the rapidly-progressing technology and triggering new markets in the field of on-site spectroscopic analysis. Although handheld devices were commercialized for the near-infrared spectroscopy (NIRS), their size and cost stand as an obstacle against the deployment of the spectrometer as spectral sensing components needed for the smart phone industry and the IoT applications. In this work we report a chip-sized microelectromechanical system (MEMS)-based FTIR spectrometer. The core optical engine of the solution is built using a passive-alignment integration technique for a selfaligned MEMS chip; self-aligned microoptics and a single detector in a tiny package sized about 1 cm3. The MEMS chip is a monolithic, high-throughput scanning Michelson interferometer fabricated using deep reactive ion etching technology of silicon-on-insulator substrate. The micro-optical part is used for conditioning the input/output light to/from the MEMS and for further light direction to the detector. Thanks to the all-reflective design of the conditioning microoptics, the performance is free of chromatic aberration. Complemented by the excellent transmission properties of the silicon in the infrared region, the integrated solution allows very wide spectral range of operation. The reported sensor's spectral resolution is about 33 cm-1 and working in the range of 1270 nm to 2700 nm; upper limited by the extended InGaAs detector. The presented solution provides a low cost, low power, tiny size, wide wavelength range NIR spectral sensor that can be manufactured with extremely high volumes. All these features promise the compatibility of this technology with the forthcoming demand of smart portable and IoT devices.

Biochemical applications of FT-IR spectroscopy

NARCIS (Netherlands)

Pistorius, A.M.A.

1996-01-01

This thesis describes the use of (FT-)IR spectroscopy in general biochemical research. In chapter 3, IR spectroscopy is used in the quantitation of residual detergent after reconstitution of an integral membrane protein in a pre-defined lipid matrix. This chapter discusses the choice of the

In-situ ATR-FTIR for characterization of thin biorelated polymer films

International Nuclear Information System (INIS)

Müller, M.; Torger, B.; Bittrich, E.; Kaul, E.; Ionov, L.; Uhlmann, P.; Stamm, M.

2014-01-01

We present and review in-situ-attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic data from thin biorelated polymer films useful for the modification and functionalization of polymer and inorganic materials and discuss their applications related to life sciences. A special ATR mirror attachment operated by the single-beam-sample-reference (SBSR) concept and housing a homebuilt thermostatable flow cell was used, which allows for appropriate background compensation and signal to noise ratio. ATR-FTIR data on the reactive deposition of dopamine on inorganic model surfaces are shown. Information on the structure and deposition pathway for such bioinspired melanin-like films is provided. ATR-FTIR data on thermosensitive polymer brushes of poly(N-isopropylacrylamide) (PNIPAAM) is then presented. The thermotropic hydration and hydrogen bonding behavior of PNIPAAM brush films is described. Finally, ATR-FTIR data on biorelated polyelectrolyte multilayers (PEM) are given together with details on PEM growth and detection. Applications of these latter films for biopassivation/activation and local drug delivery are addressed

Novel use patterns of Salvia divinorum: unobtrusive observation using YouTube™.

Science.gov (United States)

Casselman, Ivan; Heinrich, Michael

2011-12-08

ETHNOPHARMACOLOGICAL RELEVANCE AND AIMS: The traditional use of the Hallucinogenic sage, Salvia divinorum has been of ethnopharmalogical interest for some time. This plant, endemic to Oaxaca Mexico and traditionally used by the Mazatec, is now utilized worldwide for its psychoactive effects. This use demonstrates a novel use pattern which is distinctly different from Mazatec use. This study offers a new methodology to study emerging global plant use and assesses the users' experience with it. The aim of this research was to develop a new methodology to collect and analyze archived data on the World Wide Web, specifically videos which depict Salvia divinorum use. The basis of the methodology for this project was unobtrusive observation which allows the researcher to observe without influencing the event which is being observed. Qualitative, ethnographic data was used in conjunction with quantitative meta data collected by a customized web crawler programed to archive YouTube™ data. Using this methodology enabled us to understand reported uses and the users' experiences as expressed on the World Wide Web. The main result of this research was the documentation of a distinct, novel use pattern of Salvia divinorum which has developed outside of Oaxaca; a use pattern which differs in a number of ways from traditional, Mazatec use. The majority of the YouTube™ videos analyzed were found to present indications of a positive Salvia divinorum experience. This result highlighted the contradiction between ethnographic data and what is reported by the media. Finally the representation of Salvia divinorum on YouTube™ (and by inference the WWW as a whole) is a growing phenomena. While anthropological and more specifically medico-anthropological research has, for many years, embraced the dynamics of cultures, until recently, ethnopharmalogical research has generally focused on 'traditional' plant use, failing to capture the dynamic elements of plant/human interaction and

FTIR Calibration Methods and Issues

Science.gov (United States)

Perron, Gaetan

Over the past 10 years, several space-borne FTIR missions were launched for atmospheric research, environmental monitoring and meteorology. One can think of the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) launched by the European Space Agency, the Atmospheric Chemistry Experiment (ACE) launched by the Canadian Space Agency, the Tropospheric Emission Spectrometer (TES) launched by NASA and the Infrared Atmospheric Sounding Interferometer (IASI) launched by Eumetsat in Europe. Others are near to be launched, namely the Cross-track Infrared Sounder (CrIS) from the Integrated Program Of- fice in the United States and the Thermal And Near infrared Sensor for carbon Observation (TANSO) from the Japan Aerospace Exploration Agency. Moreover, several missions under definition foresee the use of this technology as sensor, e.g. Meteosat Third Generation (MTG), Eumetsat Polar System (EPS) and the Premier mission, one of the six candidates of the next ESA Earth Explorer Core Mission. In order to produce good quality products, calibration is essential. Calibrated data is the output of three main sub-systems that are tightly coupled: the instrument, the calibration targets and the level 1B processor. Calibration requirements must be carefully defined and propagated to each sub-system. Often, they are carried out by different parties which add to the complexity. Under budget and schedule pressure, some aspects are sometimes neglected and jeopardized final quality. For space-borne FTIR, level 1B outputs are spectra that are radiometrically, spectrally calibrated and geolocated. Radiometric calibration means to assign an intensity value in units to the y-axis. Spectral calibration means to assign to the x-axis the proper frequency value in units. Finally, geolocated means to assign a target position over the earth geoid i.e. longitude, latitude and altitude. This paper will present calibration methods and issues related to space-borne FTIR missions, e.g. two

FTIR- Microspectroscopy as diagnostic method for cancer cells

International Nuclear Information System (INIS)

Vitaly Erukhimovitch, Vitaly; Mukmenev, Igor; Huleihel, Mahmoud

2010-01-01

In the present study we have compared the spectral behavior of malignant cells with normal un transformed cells using microscopic Fourier-Transform Infrared (FTIR-M) spectroscopy in order to evaluate the potential of this technique for early detection of cancer cells. Cells were transformed by infection with murine sarcoma virus (MuSV) and examined at various times post infection (p. i) by FTIR M. Our results showed significant and consistent differences between the normal cells and malignant cells. A considerable decrease in carbohydrates and phosphates levels was seen in malignant cells compared to the normal cells. In addition, the peak attributed to the PO2- symmetric stretching mode at 1082 cm-1 in normal cells was shifted significantly to 1087 cm-1 in malignant cells. These spectral changes in addition to others were seen already about 24 h p.i., while no morphological changes were observed at this time by optical microscope. These results in addition to further differences in the shapes of various bands may indicate for promising potential of FTIR microscopy technique for detection of malignant cells at early stages of malignant transformation.(Author)

Using MicroFTIR to Map Mineral Distributions in Serpentinizing Systems

Science.gov (United States)

Johnson, A.; Kubo, M. D.; Cardace, D.

2016-12-01

Serpentinization, the water-rock reaction forming serpentine mineral assemblages from ultramafic precursors, can co-occur with the production of hydrogen, methane, and diverse organic compounds (McCollom and Seewald, 2013), evolving water appropriate for carbonate precipitation, including in ophiolite groundwater flow systems and travertine-producing seeps/springs. Serpentinization is regarded as a geologic process important to the sustainability of the deep biosphere (Schrenk et al., 2013) and the origin of life (Schulte et al., 2006). In this study, we manually polished wafers of ultramafic rocks/associated minerals (serpentinite, peridotite, pyroxenite, dunite; olivine, diopside, serpentine, magnetite), and travertine/constituent minerals (carbonate crusts; calcite, dolomite), and observed mineral boundaries and interfaces using µFTIR analysis in reflection mode. We used a Thermo Nicolet iS50 FTIR spectrometer coupled with a Continuum IR microscope to map minerals/boundaries. We identify, confirm, and document FTIR wavenumber regions linked to serpentinite- and travertine-associated minerals by referencing IR spectra (RRUFF) and aligning with x-ray diffraction. The ultramafic and carbonate samples are from the following field localities: McLaughlin Natural Reserve - a UC research reserve, Lower Lake, CA; Zambales, PH; Ontario, CA; Yellow Dog, MI; Taskesti, TK; Twin Sisters Range, WA; Sharon, MA; Klamath Mountains, CA; Dun Mountain, NZ; and Sussex County, NJ. Our goals are to provide comprehensive µFTIR characterization of mineral profiles important in serpentinites and related rocks, and evaluate the resolving power of µFTIR for the detection of mineral-encapsulated, residual organic compounds from biological activity. We report on µFTIR data for naturally occurring ultramafics and travertines and also estimate the limit of detection for cell membrane components in mineral matrices, impregnating increasing mass proportions of xanthan gum in a peridotite sand

Applications of FT-IR spectrophotometry in cancer diagnostics.

Science.gov (United States)

Bunaciu, Andrei A; Hoang, Vu Dang; Aboul-Enein, Hassan Y

2015-01-01

This review provides a brief background to the application of infrared spectroscopy, including Fourier transform-infrared spectroscopy, in biological fluids. It is not meant to be complete or exhaustive but to provide the reader with sufficient background for selected applications in cancer diagnostics. Fourier transform-infrared spectroscopy (FT-IR) is a fast and nondestructive analytical method. The infrared spectrum of a mixture serves as the basis to quantitate its constituents, and a number of common clinical chemistry tests have proven to be feasible using this approach. This review focuses on biomedical FT-IR applications, published in the period 2009-2013, used for early detection of cancer through qualitative and quantitative analysis.

Bone matrix calcification during embryonic and postembryonic rat calvarial development assessed by SEM-EDX spectroscopy, XRD, and FTIR spectroscopy.

Science.gov (United States)

Henmi, Akiko; Okata, Hiroshi; Anada, Takahisa; Yoshinari, Mariko; Mikami, Yasuto; Suzuki, Osamu; Sasano, Yasuyuki

2016-01-01

Bone mineral is constituted of biological hydroxyapatite crystals. In developing bone, the mineral crystal matures and the Ca/P ratio increases. However, how an increase in the Ca/P ratio is involved in maturation of the crystal is not known. The relationships among organic components and mineral changes are also unclear. The study was designed to investigate the process of calcification during rat calvarial bone development. Calcification was evaluated by analyzing the atomic distribution and concentration of Ca, P, and C with scanning electron microscopy (SEM)-energy-dispersive X-ray (EDX) spectroscopy and changes in the crystal structure with X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy. Histological analysis showed that rat calvarial bone formation started around embryonic day 16. The areas of Ca and P expanded, matching the region of the developing bone matrix, whereas the area of C became localized around bone. X-ray diffraction and FTIR analysis showed that the amorphous-like structure of the minerals at embryonic day 16 gradually transformed into poorly crystalline hydroxyapatite, whereas the proportion of mineral to protein increased until postnatal week 6. FTIR analysis also showed that crystallization of hydroxyapatite started around embryonic day 20, by which time SEM-EDX spectroscopy showed that the Ca/P ratio had increased and the C/Ca and C/P ratios had decreased significantly. The study suggests that the Ca/P molar ratio increases and the proportion of organic components such as proteins of the bone matrix decreases during the early stage of calcification, whereas crystal maturation continues throughout embryonic and postembryonic bone development.

Analysis of environmental microplastics by vibrational microspectroscopy: FTIR, Raman or both?

Science.gov (United States)

Käppler, Andrea; Fischer, Dieter; Oberbeckmann, Sonja; Schernewski, Gerald; Labrenz, Matthias; Eichhorn, Klaus-Jochen; Voit, Brigitte

2016-11-01

The contamination of aquatic ecosystems with microplastics has recently been reported through many studies, and negative impacts on the aquatic biota have been described. For the chemical identification of microplastics, mainly Fourier transform infrared (FTIR) and Raman spectroscopy are used. But up to now, a critical comparison and validation of both spectroscopic methods with respect to microplastics analysis is missing. To close this knowledge gap, we investigated environmental samples by both Raman and FTIR spectroscopy. Firstly, particles and fibres >500 μm extracted from beach sediment samples were analysed by Raman and FTIR microspectroscopic single measurements. Our results illustrate that both methods are in principle suitable to identify microplastics from the environment. However, in some cases, especially for coloured particles, a combination of both spectroscopic methods is necessary for a complete and reliable characterisation of the chemical composition. Secondly, a marine sample containing particles microplastics as well as spectra quality, measurement time and handling. We show that FTIR imaging leads to significant underestimation (about 35 %) of microplastics compared to Raman imaging, especially in the size range microplastics fraction into 500-50 μm (rapid and reliable analysis by FTIR imaging) and into 50-1 μm (detailed and more time-consuming analysis by Raman imaging). Graphical Abstract Marine microplastic sample (fraction <400 μm) on a silicon filter (middle) with the corresponding Raman and IR images.

Quantitative gas analysis with FT-IR

DEFF Research Database (Denmark)

Bak, J.; Larsen, A.

1995-01-01

Calibration spectra of CO in the 2.38-5100 ppm concentration range (22 spectra) have been measured with a spectral resolution of 4 cm(-1), in the mid-IR (2186-2001 cm(-1)) region, with a Fourier transform infrared (FT-IR) instrument. The multivariate calibration method partial least-squares (PLS1...

Application of Fourier transform infrared (FT-IR) spectroscopy in determination of microalgal compositions.

Science.gov (United States)

Meng, Yingying; Yao, Changhong; Xue, Song; Yang, Haibo

2014-01-01

Fourier transform infrared spectroscopy (FT-IR) was applied in algal strain screening and monitoring cell composition dynamics in a marine microalga Isochrysis zhangjiangensis during algal cultivation. The content of lipid, carbohydrate and protein of samples determined by traditional methods had validated the accuracy of FT-IR method. For algal screening, the band absorption ratios of lipid/amide I and carbo/amide I from FT-IR measurements allowed for the selection of Isochrysis sp. and Tetraselmis subcordiformis as the most potential lipid and carbohydrate producers, respectively. The cell composition dynamics of I. zhangjiangensis measured by FT-IR revealed the diversion of carbon allocation from protein to carbohydrate and neutral lipid when nitrogen-replete cells were subjected to nitrogen limitation. The carbo/amide I band absorption ratio had also been demonstrated to depict physiological status under nutrient stress in T. subcordiformis. FT-IR serves as a tool for the simultaneous measurement of lipid, carbohydrate, and protein content in cell. Copyright © 2013 Elsevier Ltd. All rights reserved.

ATR FT-IR spectroscopy on Vmh2 hydrophobin self-assembled layers for Teflon membrane bio-functionalization

International Nuclear Information System (INIS)

Portaccio, M.; Gravagnuolo, A.M.; Longobardi, S.; Giardina, P.; Rea, I.; De Stefano, L.; Cammarota, M.; Lepore, M.

2015-01-01

Graphical abstract: - Highlights: • Hydrophobin self-assembled layers on Teflon in different preparation conditions were investigated. • ATR collection data geometry allowed samples examination without any particular preparation. • Amide content, lipid/amide and carbohydrate/amide ratios of the protein layer were estimated. • Secondary structure of protein was determined for the examined samples. • FT-IR demonstrated to be of extreme relevance in monitoring hydrophobin self-assembled layers preparation. - Abstract: Surface functionalization by layers of hydrophobins, amphiphilic proteins produced by fungi offers a promising and green strategy for fabrication of biomedical and bioanalytical devices. The layering process of the Vmh2 hydrophobin from Pleurotus ostreatus on Teflon membrane has been investigated by Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) spectroscopy. In particular, protein layers obtained with hydrophobin purified with two different procedures and in various coating conditions have been examined. The layers have been characterized by quantifying the amide I and amide II band area together with the lipid/amide ratio and carbohydrate/amide ratio. This characterization can be very useful in evaluating the best purification strategy and coating conditions. Moreover the analysis of the secondary structure of the layered protein using the deconvolution procedure of amide I band indicate the prevalent contribution from β-sheet state. The results inferred by infrared spectroscopy have been also confirmed by scanning electron microscopy imaging

ATR FT-IR spectroscopy on Vmh2 hydrophobin self-assembled layers for Teflon membrane bio-functionalization

Energy Technology Data Exchange (ETDEWEB)

Portaccio, M., E-mail: marianna.portaccio@unina2.it [Dipartimento di Medicina Sperimentale – Seconda Università di Napoli, Via S.M. di Costantinopoli, 16-80134 Napoli (Italy); Gravagnuolo, A.M., E-mail: alfredomaria.gravagnuolo@unina.it [Dipartimento di Scienze Chimiche, Università “Federico II”, Via Cintia, 21- 80126 Napoli (Italy); Longobardi, S., E-mail: sara.longobardi@unina.it [Dipartimento di Scienze Chimiche, Università “Federico II”, Via Cintia, 21- 80126 Napoli (Italy); Giardina, P., E-mail: paola.giardina@unina.it [Dipartimento di Scienze Chimiche, Università “Federico II”, Via Cintia, 21- 80126 Napoli (Italy); Rea, I., E-mail: ilaria.rea@na.imm.cnr.it [Institute for Microelectronics and Microsystems, CNR, Via P. Castellino, 111-80131 Napoli (Italy); De Stefano, L., E-mail: luca.destefano@na.imm.cnr.it [Institute for Microelectronics and Microsystems, CNR, Via P. Castellino, 111-80131 Napoli (Italy); Cammarota, M., E-mail: marcella.cammarota@unina2.it [Dipartimento di Medicina Sperimentale – Seconda Università di Napoli, Via S.M. di Costantinopoli, 16-80134 Napoli (Italy); Lepore, M., E-mail: maria.lepore@unina2.it [Dipartimento di Medicina Sperimentale – Seconda Università di Napoli, Via S.M. di Costantinopoli, 16-80134 Napoli (Italy)

2015-10-01

Graphical abstract: - Highlights: • Hydrophobin self-assembled layers on Teflon in different preparation conditions were investigated. • ATR collection data geometry allowed samples examination without any particular preparation. • Amide content, lipid/amide and carbohydrate/amide ratios of the protein layer were estimated. • Secondary structure of protein was determined for the examined samples. • FT-IR demonstrated to be of extreme relevance in monitoring hydrophobin self-assembled layers preparation. - Abstract: Surface functionalization by layers of hydrophobins, amphiphilic proteins produced by fungi offers a promising and green strategy for fabrication of biomedical and bioanalytical devices. The layering process of the Vmh2 hydrophobin from Pleurotus ostreatus on Teflon membrane has been investigated by Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) spectroscopy. In particular, protein layers obtained with hydrophobin purified with two different procedures and in various coating conditions have been examined. The layers have been characterized by quantifying the amide I and amide II band area together with the lipid/amide ratio and carbohydrate/amide ratio. This characterization can be very useful in evaluating the best purification strategy and coating conditions. Moreover the analysis of the secondary structure of the layered protein using the deconvolution procedure of amide I band indicate the prevalent contribution from β-sheet state. The results inferred by infrared spectroscopy have been also confirmed by scanning electron microscopy imaging.

Advanced sampling techniques for hand-held FT-IR instrumentation

Science.gov (United States)

Arnó, Josep; Frunzi, Michael; Weber, Chris; Levy, Dustin

2013-05-01

FT-IR spectroscopy is the technology of choice to identify solid and liquid phase unknown samples. The challenging ConOps in emergency response and military field applications require a significant redesign of the stationary FT-IR bench-top instruments typically used in laboratories. Specifically, field portable units require high levels of resistance against mechanical shock and chemical attack, ease of use in restrictive gear, extreme reliability, quick and easy interpretation of results, and reduced size. In the last 20 years, FT-IR instruments have been re-engineered to fit in small suitcases for field portable use and recently further miniaturized for handheld operation. This article introduces the HazMatID™ Elite, a FT-IR instrument designed to balance the portability advantages of a handheld device with the performance challenges associated with miniaturization. In this paper, special focus will be given to the HazMatID Elite's sampling interfaces optimized to collect and interrogate different types of samples: accumulated material using the on-board ATR press, dispersed powders using the ClearSampler™ tool, and the touch-to-sample sensor for direct liquid sampling. The application of the novel sample swipe accessory (ClearSampler) to collect material from surfaces will be discussed in some detail. The accessory was tested and evaluated for the detection of explosive residues before and after detonation. Experimental results derived from these investigations will be described in an effort to outline the advantages of this technology over existing sampling methods.

Retrievals of formaldehyde from ground-based FTIR and MAX-DOAS observations at the Jungfraujoch station and comparisons with GEOS-Chem and IMAGES model simulations

Directory of Open Access Journals (Sweden)

B. Franco

2015-04-01

Full Text Available As an ubiquitous product of the oxidation of many volatile organic compounds (VOCs, formaldehyde (HCHO plays a key role as a short-lived and reactive intermediate in the atmospheric photo-oxidation pathways leading to the formation of tropospheric ozone and secondary organic aerosols. In this study, HCHO profiles have been successfully retrieved from ground-based Fourier transform infrared (FTIR solar spectra and UV-visible Multi-AXis Differential Optical Absorption Spectroscopy (MAX-DOAS scans recorded during the July 2010–December 2012 time period at the Jungfraujoch station (Swiss Alps, 46.5° N, 8.0° E, 3580 m a.s.l.. Analysis of the retrieved products has revealed different vertical sensitivity between both remote sensing techniques. Furthermore, HCHO amounts simulated by two state-of-the-art chemical transport models (CTMs, GEOS-Chem and IMAGES v2, have been compared to FTIR total columns and MAX-DOAS 3.6–8 km partial columns, accounting for the respective vertical resolution of each ground-based instrument. Using the CTM outputs as the intermediate, FTIR and MAX-DOAS retrievals have shown consistent seasonal modulations of HCHO throughout the investigated period, characterized by summertime maximum and wintertime minimum. Such comparisons have also highlighted that FTIR and MAX-DOAS provide complementary products for the HCHO retrieval above the Jungfraujoch station. Finally, tests have revealed that the updated IR parameters from the HITRAN 2012 database have a cumulative effect and significantly decrease the retrieved HCHO columns with respect to the use of the HITRAN 2008 compilation.

Measurement and characterization of external oil in the fried waxy maize starch granules using ATR-FTIR and XRD.

Science.gov (United States)

Chen, Long; Tian, Yaoqi; Sun, Binghua; Cai, Canxin; Ma, Rongrong; Jin, Zhengyu

2018-03-01

Concerns regarding increased dietary oil uptake have prompted efforts to investigate the oil absorption and distribution in fried starchy foods. In the present study, attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, together with a chloroform-methanol method, was used to analyze the external and internal oil contents in fried starchy samples. The micromorphology of fried starchy samples was further investigated using scanning electron microscope (SEM), polarized light microscope (PLM) and confocal laser scanning microscopy (CLSM). The results indicated that large amounts of oil were absorbed in or within waxy maize starch, but the majority of oil was located near the surface layer of the starch granules. After defatting, the internal oil was thoroughly removed, while a small amount of external oil remained. As evidenced by the changes of the crystalline characteristics with the help of X-ray diffraction (XRD), the interaction between starch and lipids on the surface was confirmed to form V-type complex compounds during frying at high moisture. Copyright © 2017 Elsevier Ltd. All rights reserved.

Analysis of human gallstones by FTIR

International Nuclear Information System (INIS)

Channa, Naseem A.; Khand, Fateh D.

2008-01-01

The present study was aimed at determining the composition of gallstones removed from patients in Southern Sindh, Pakistan. 109 gallstone samples surgically removed from as many patients (98 females and 11 males; age range 20 to 80 years) admitted for treatment in Liaquat University hospital, Jamshsoro during 2000 to 2003, were analyzed for composition by Fourier Transform Infrared (FTIR) spectroscopy. 74 (67.9%) of the 109 gallstone samples were found to be pure cholesterol stones, 5 (4.6%) pure calcium carbonate stones, 13 (11.9%) cholesterol + calcium carbonate, 10 (9.2%) cholesterol + bilirubin and 07 (6.4%) calcium bilirubinate stones. In mixed composition gallstones cholesterol was concentrated more at periphery than in the center of stone. Cholesterol either singly (67.9%) or in combination with either calcium carbonate (11.9%) or bilirubin (9.2%) was the most predominant component of gallstones. Analysis of gallstones based on FTIR suggests that cholesterol either singly or in combination with either calcium carbonate or bilirubin is the most predominant component of gallstones from Southern Sindh, Pakistan. (author)

Synchrotron FTIR Imaging For The Identification Of Cell Types Within Human Tissues

International Nuclear Information System (INIS)

Walsh, Michael J.; Pounder, F. Nell; Nasse, Michael J.; Macias, Virgilia; Kajdacsy-Balla, Andre; Hirschmugl, Carol; Bhargava, Rohit

2010-01-01

The use of synchrotron Fourier Transform Infrared spectroscopy (S-FTIR) has been shown to be a very promising tool for biomedical research. S-FTIR spectroscopy allows for the fast acquisition of infrared (IR) spectra at a spatial resolution approaching the IR diffraction limit. The development of the Infrared Environmental Imaging (IRENI) beamline at the Synchrotron Radiation Center (SRC) at the University of Wisconsin-Madison has allowed for diffraction limited imaging measurements of cells in human prostate and breast tissues. This has allowed for the identification of cell types within tissues that would otherwise not have been resolvable using conventional FTIR sources.

FTIR analysis of flue gases - combined in-situ and dry extractive gas sampling; Kombination av in-situ och kallextraktiv roekgasmaetning med FTIR

Energy Technology Data Exchange (ETDEWEB)

Andersson, Christer; Soederbom, J [Vattenfall Utveckling AB, Aelvkarleby (Sweden)

1996-10-01

Fourier Transform Infra Red (FTIR) spectroscopy is a promising and versatile technique for gas analysis which lately has moved from the laboratory to industrial applications such as emission monitoring of combustion plants. This has been made possible by recent developments of spectrometers and software. The single most important advantage of the FTIR is its capability to simultaneously analyse virtually all gas species of interest in flue gas applications. The project has studied the feasibility of using the technique as a multi-component emission monitoring system. A specific aim was to evaluate different implementations of the technique to flue gas analysis: in-situ, hot/dry and cold extraction or combinations of these. The goal was to demonstrate a system in which gas components that normally require hot extraction (NH{sub 3}, HCl, H{sub 2}O) could instead be measured in-situ. In this way potential sampling artefacts e.g. for ammonia monitoring, can be avoided. The remaining gas components are measured using cold extraction and thereby minimizing interference from water. The latter advantage can be crucial for the accuracy of e.g. NO{sub x} measurements. Prior to the project start in-situ monitoring using FTIR was, a to a large extent, an untried method. The fact that broad band IR radiation can not be guided through optical fibres, presented a major technical obstacle. An `in-situ probe` was developed to serve the purpose. The probe is equipped with a gold plated mirror at the end and is mounted on the support structure of the FTIR-spectrometer. The arrangement proved to be a robust solution without being unnecessary complex or cumbersome to use. 10 refs, 45 figs, 10 tabs

Understanding the distribution of natural wax in starch-wax films using synchrotron-based FTIR (S-FTIR).

Science.gov (United States)

Muscat, Delina; Tobin, Mark J; Guo, Qipeng; Adhikari, Benu

2014-02-15

High amylose starch-glycerol (HAG) films were produced incorporating beeswax, candelilla wax and carnauba wax in the presence and absence of Tween-80 in order to determine the distribution of wax in the films during the film formation process. The distribution of these waxes within the film was studied using Synchrotron based Fourier Transform Infrared Spectroscopy (S-FTIR) which provided 2D mapping along the thickness of the film. The incorporation of 5% and 10% wax in HAG films produced randomly distributed wax or wax-rich domains, respectively, within these films. Consequently, the addition of these waxes to HAG increased the surface roughness and hydrophobicity of these films. The addition of Tween-80 caused variations in wax-rich bands within the films. The HAG+carnauba wax+Tween-80 films exhibited domed wax-rich domains displayed with high integrated CH2 absorption value at the interior of the films, rougher surface and higher contact angle values than the other films. The S-FTIR 2D images indicated that the distribution of wax in starch-wax films correlated with the roughness and hydrophobicity of the starch-wax films. Copyright © 2013 Elsevier Ltd. All rights reserved.

Performance of a Rapid-Scan Vacuum Michelson Interferometer at the NSLS

International Nuclear Information System (INIS)

Brierly, P.; Dumas, P.; Smith, M.; Williams, G.P.

2001-01-01

A commercial Nicolet Magna series rapid-scan Michelson Fourier Transform Infrared (FTIR) was installed in a vacuum housing and integrated into the U4IR beamline at the National Synchrotron Light Source at Brookhaven National Laboratory. The frequency reference laser was mounted outside vacuum, but the moving mirror mechanism and the dynamic alignment system for the fixed mirror were in vacuum. The performance of the instrument was measured in the usual way by measuring the repeatability of data collected under specific conditions of aperture, resolution and mirror scanning velocity. We briefly discuss the beamline design, to put the interferometer in context, then present signal to noise data which we discuss in terms of both instrument performance and also storage ring stability. Under optimal conditions, the instrument has a reproducibility of 0.01% in 1 minute of measuring time at a resolution of 2 cmss, -1 , over a range from 100-3000 cm -1

Enantioselective skin permeation of ibuprofen enantiomers: mechanistic insights from ATR-FTIR and CLSM studies based on synthetic enantiomers as naphthalimide fluorescent probes.

Science.gov (United States)

Che, Qi-en; Quan, Peng; Mu, Mao; Zhang, Xinfu; Zhao, Hanqing; Zhang, Yu; You, Song; Xiao, Yi; Fang, Liang

2014-10-01

The aim of this study was to investigate the mechanisms of different skin permeability of ibuprofen racemate and enantiomers. The percutaneous permeation of ibuprofen racemate and enantiomers through rabbit normal skin and damaged skin (without stratum corneum [SC]) was investigated in vitro using side-by-side diffusion cells. With the melting temperature-membrane transport model, the flux ratio of enantiomer/racemate was calculated from their thermodynamic properties obtained by differential scanning calorimetry. Attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) study was performed to evaluate the interaction between the enantiomers and the SC. New fluorescent probes were designed and utilized in confocal laser scanning microscopy (CLSM) study for visualization of the enantioselective permeation of the enantiomers through the intact rabbit skin. The flux of (S)-ibuprofen through normal skin was significantly higher than that of (RS)-ibuprofen and (R)-ibuprofen (p skin, there was no significant difference (p > 0.05). The predicted flux ratio of (S)-ibuprofen/(RS)-ibuprofen (2.50) was in close agreement with the experimentally determined ratio (2.48). These results were supported by ATR-FTIR and CLSM studies that indicated that a chiral environment of the skin led to the enantioselective permeation of enantiomers. The chiral nature of the SC and the different physicochemical properties of the enantiomers should be taken into account in the assessment of different skin permeability of the racemate and enantiomers. The synthetic fluorescent probes used in this study could visualize the enantioselective permeation of the chiral compounds across the skin.

ANN-based calibration model of FTIR used in transformer online monitoring

Science.gov (United States)

Li, Honglei; Liu, Xian-yong; Zhou, Fangjie; Tan, Kexiong

2005-02-01

Recently, chromatography column and gas sensor have been used in online monitoring device of dissolved gases in transformer oil. But some disadvantages still exist in these devices: consumption of carrier gas, requirement of calibration, etc. Since FTIR has high accuracy, consume no carrier gas and require no calibration, the researcher studied the application of FTIR in such monitoring device. Experiments of "Flow gas method" were designed, and spectrum of mixture composed of different gases was collected with A BOMEM MB104 FTIR Spectrometer. A key question in the application of FTIR is that: the absorbance spectrum of 3 fault key gases, including C2H4, CH4 and C2H6, are overlapped seriously at 2700~3400cm-1. Because Absorbance Law is no longer appropriate, a nonlinear calibration model based on BP ANN was setup to in the quantitative analysis. The height absorbance of C2H4, CH4 and C2H6 were adopted as quantitative feature, and all the data were normalized before training the ANN. Computing results show that the calibration model can effectively eliminate the cross disturbance to measurement.

Proton transfers in a channelrhodopsin-1 studied by Fourier transform infrared (FTIR) difference spectroscopy and site-directed mutagenesis.

Science.gov (United States)

Ogren, John I; Yi, Adrian; Mamaev, Sergey; Li, Hai; Spudich, John L; Rothschild, Kenneth J

2015-05-15

Channelrhodopsin-1 from the alga Chlamydomonas augustae (CaChR1) is a low-efficiency light-activated cation channel that exhibits properties useful for optogenetic applications such as a slow light inactivation and a red-shifted visible absorption maximum as compared with the more extensively studied channelrhodopsin-2 from Chlamydomonas reinhardtii (CrChR2). Previously, both resonance Raman and low-temperature FTIR difference spectroscopy revealed that unlike CrChR2, CaChR1 under our conditions exhibits an almost pure all-trans retinal composition in the unphotolyzed ground state and undergoes an all-trans to 13-cis isomerization during the primary phototransition typical of other microbial rhodopsins such as bacteriorhodopsin (BR). Here, we apply static and rapid-scan FTIR difference spectroscopy along with site-directed mutagenesis to characterize the proton transfer events occurring upon the formation of the long-lived conducting P2 (380) state of CaChR1. Assignment of carboxylic C=O stretch bands indicates that Asp-299 (homolog to Asp-212 in BR) becomes protonated and Asp-169 (homolog to Asp-85 in BR) undergoes a net change in hydrogen bonding relative to the unphotolyzed ground state of CaChR1. These data along with earlier FTIR measurements on the CaChR1 → P1 transition are consistent with a two-step proton relay mechanism that transfers a proton from Glu-169 to Asp-299 during the primary phototransition and from the Schiff base to Glu-169 during P2 (380) formation. The unusual charge neutrality of both Schiff base counterions in the P2 (380) conducting state suggests that these residues may function as part of a cation selective filter in the open channel state of CaChR1 as well as other low-efficiency ChRs. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Effect of jitter on an imaging FTIR spectrometer

Energy Technology Data Exchange (ETDEWEB)

Bennett, C. L., LLNL

1997-04-01

Line of sight (LOS) jitter produces temporal modulations of the signals which are detected in the focal plane of a temporally modulated imaging Fourier Transform Spectrometer. A theoretical treatment of LOS jitter effects is given, and is compared with the results of measurements with LIFTIRS1 (the Livermore Imaging Fourier Transform InfraRed Spectrometer). The identification, isolation, quantification and removal of jitter artifacts in hyperspectral imaging data by means of principal components analysis is discussed. The theoretical distribution of eigenvalues expected from principal components analysis is used to determine the level of significance of spatially coherent instrumental artifacts in general, including jitter as a representative example. It is concluded that an imaging FTIR spectrometer is much less seriously impacted by a given LOS jitter level than a non imaging FTIR spectrometer.

Prediction of Pectin Yield and Quality by FTIR and Carbohydrate Microarray Analysis

DEFF Research Database (Denmark)

Baum, Andreas; Dominiak, Malgorzata Maria; Vidal-Melgosa, Silvia

2017-01-01

and carbohydrate microarray analysis were performed directly on the crude lime peel extracts during the time course of the extractions. Multivariate analysis of the data was carried out to predict final pectin yields. Fourier transform infrared spectroscopy (FTIR) was found applicable for determining the optimal...... extraction time for the enzymatic and acidic extraction processes, respectively. The combined results of FTIR and carbohydrate microarray analysis suggested major differences in the crude pectin extracts obtained by enzymatic and acid extraction, respectively. Enzymatically extracted pectin, thus, showed......, and that FTIR and carbohydrate microarray analysis have potential to be developed into online process analysis tools for prediction of pectin extraction yields and pectin features from measurements on crude pectin extracts....

FTIR spectra of whey and casein hydrolysates in relation to their functional properties

NARCIS (Netherlands)

Ven, van der C.; Muresan, S.; Gruppen, H.; Bont, D.B.A.; Merck, K.B.; Voragen, A.G.J.

2002-01-01

Mid-infrared spectra of whey and casein hydrolysates were recorded using Fourier transform infrared (FTIR) spectroscopy. Multivariate data analysis techniques were used to investigate the capacity of FTIR spectra to classify hydrolysates and to study the ability of the spectra to predict bitterness,

Outdoor chamber measurements of biological aerosols with a passive FTIR spectrometer

Science.gov (United States)

D'Amico, Francis M.; Emge, Darren K.; Roelant, Geoffrey J.

2004-02-01

Outdoor measurements of dry bacillus subtilis (BG) spores were conducted with a passive Fourier transform infrared (FTIR) spectrometer using two types of chambers. One was a large open-ended cell, and the other was a canyon of similar dimensions. The canyon exposes the aerosol plume to downwelling sky radiance, while the open-ended cell does not. The goal of the experiments was to develop a suitable test methodology for evaluation of passive standoff detectors for open-air aerosol measurements. Dry BG aerosol particles were dispersed with a blower through an opening in the side of the chamber to create a pseudo-stationary plume, wind conditions permitting. Numerous trials were performed with the FTIR spectrometer positioned to view mountain, sky and mixed mountain-sky backgrounds. This paper will discuss the results of the FTIR measurements for BG and Kaolin dust releases.

Solid-state characterization of triamcinolone acetonide nanosuspensiones by X-ray spectroscopy, ATR Fourier transforms infrared spectroscopy and differential scanning calorimetry analysis

Directory of Open Access Journals (Sweden)

Eva García-Millán

2017-12-01

Full Text Available The data presented in this article describe the physical state of the triamcinolone acetonide (TA in nanosuspension stabilized with polyvinyl alcohol (PVA and poloxamer 407 (PL. The data were assessed by X-ray spectroscopy, ATR Fourier transforms infrared spectroscopy measurements (FTIR, and Differential scanning calorimetry (DSC analysis. PVA, PL and polymeric mixture (PVA and PL were compared with nanosuspension and the interactions between drug triamcinolone acetonide and polymers were studied. The data are related and are complementary to the research article entitle “Improved release of triamcinolone acetonide from medicated soft contact lenses loaded with drug nanosuspensions” (García-Millán et al., 2017 [1]. Keywords: Triamcinolona acetonide nanosuspensiones, X-ray spectroscopy, FTIR spectroscopy, DSC

FTIR and Mössbauer spectroscopic study of sodium–aluminum–iron phosphate glassy materials for high level waste immobilization

Energy Technology Data Exchange (ETDEWEB)

Stefanovsky, S.V., E-mail: serge.stefanovsky@yandex.ru [Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Laboratory of Radioecology and Radiation Problems, Moscow (Russian Federation); Stefanovsky, O.I. [Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Laboratory of Radioecology and Radiation Problems, Moscow (Russian Federation); Remizov, M.B.; Belanova, E.A.; Kozlov, P.V. [FSUE PA Mayak, Central Plant Laboratory, Ozersk, Chelyabinsk Reg. (Russian Federation); Glazkova, Ya.S.; Sobolev, A.V.; Presniakov, I.A. [Lomonosov Moscow State University, Department of Radiochemistry (Russian Federation); Kalmykov, S.N. [Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Laboratory of Radioecology and Radiation Problems, Moscow (Russian Federation); Lomonosov Moscow State University, Department of Radiochemistry (Russian Federation); Vernadsky Institute of Geochemistry and Analytical Chemistry of the Russian Academy of Sciences, Laboratory of Radiochemistry, Moscow (Russian Federation); Myasoedov, B.F. [Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Laboratory of Radioecology and Radiation Problems, Moscow (Russian Federation); Vernadsky Institute of Geochemistry and Analytical Chemistry of the Russian Academy of Sciences, Laboratory of Radiochemistry, Moscow (Russian Federation)

2015-11-15

Complex sodium-aluminum-iron phosphate glassy materials with various Al{sub 2}O{sub 3} to Fe{sub 2}O{sub 3} ratio containing high level waste (HLW) surrogate were characterized by X-ray diffraction and scanning electron microscopy and studied in details by Fourier transform infrared (FTIR) spectroscopy. The samples with high Al{sub 2}O{sub 3} content and not containing Fe{sub 2}O{sub 3} were predominantly amorphous but subjected to devitrification under annealing. Addition of B{sub 2}O{sub 3} and partial Fe{sub 2}O{sub 3} substitution for Al{sub 2}O{sub 3} in the materials increases their resistance to devitrification whereas further substitution and NiO incorporation significantly increase the tendency to devitrification. FTIR spectra demonstrate changes in the structure of glassy materials caused by both structural variations in the anionic motif and occurrence of crystalline phases in the materials. According to Mössbauer spectroscopy data, iron in the glassy samples is present as octahedrally coordinated Fe{sup 3+} ions while in the partly devitrified samples iron is partitioned among vitreous and crystalline phases entering the vitreous phase mainly as Fe{sup 3+}O{sub 6} units and crystalline phases as major Fe{sup 3+} and minor Fe{sup 2+} ions in a magnetically ordered state and participating in a “fast” electronic exchange.

In situ FTIR assessment of desiccation-tolerant tissues

NARCIS (Netherlands)

Wolkers, W.F.; Hoekstra, F.A.

2003-01-01

This essay shows how Fourier transform infrared (FTIR) microspectroscopy can be applied to study thermodynamic parameters and conformation of endogenous biomolecules in desiccation-tolerant biological tissues. Desiccation tolerance is the remarkable ability of some organisms to survive complete

Characterization of Momordica charantia Ussing FT-IR Spectroscopy

Directory of Open Access Journals (Sweden)

Attila Keseru

2016-11-01

In this paper, because earlier claim shows that the plant used as stomachic, carminative, tonic, antipyretic, antidiabetic, in rheumatoid arthritis and gout, the present investigation was carried to characterized a principal components of plant using FT-IR technique

Synchrotron-based FTIR spectromicroscopy: Cytotoxicity and heating considerations

Energy Technology Data Exchange (ETDEWEB)

Holman, Hoi-Ying N.; Martin, Michael C.; McKinney, Wayne R.

2002-12-13

Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging bioanalytical and imaging tool. This unique technique provides mid-infrared (IR) spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Thus it enables researchers to locate, identify, and track specific chemical events within an individual living mammalian cell. Mid-IR photons are too low in energy (0.05 - 0.5 eV) to either break bonds or to cause ionization. In this review, we show that the synchrotron IR beam has no detectable effects on the short- and long-term viability, reproductive integrity, cell-cycle progression, and mitochondrial metabolism in living human cells, and produces only minimal sample heating (< 0.5 degrees C). These studies have established an important foundation for SR-FTIR spectromicroscopy in biological and biomedical research.

Synchrotron-based FTIR spectromicroscopy Cytotoxicity and heating considerations

CERN Document Server

Holman, H Y N; McKinney, W R

2002-01-01

Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging bioanalytical and imaging tool. This unique technique provides mid-infrared (IR) spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Thus it enables researchers to locate, identify, and track specific chemical events within an individual living mammalian cell. Mid-IR photons are too low in energy (0.05 - 0.5 eV) to either break bonds or to cause ionization. In this review, we show that the synchrotron IR beam has no detectable effects on the short- and long-term viability, reproductive integrity, cell-cycle progression, and mitochondrial metabolism in living human cells, and produces only minimal sample heating (< 0.5 degrees C). These studies have established an important foundation for SR-FTIR spectromicroscopy in biological and biomedical research.

Direct determination of sorbitol and sodium glutamate by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) in the thermostabilizer employed in the production of yellow-fever vaccine.

Science.gov (United States)

de Castro, Eduardo da S G; Cassella, Ricardo J

2016-05-15

Reference methods for quality control of vaccines usually require treatment of the samples before analysis. These procedures are expensive, time-consuming, unhealthy and require careful manipulation of the sample, making them a potential source of analytical errors. This work proposes a novel method for the quality control of thermostabilizer samples of the yellow fever vaccine employing attenuated total reflectance Fourier transform infrared spectrometry (ATR-FTIR). The main advantage of the proposed method is the possibility of direct determination of the analytes (sodium glutamate and sorbitol) without any pretreatment of the samples. Operational parameters of the FTIR technique, such as the number of accumulated scans and nominal resolution, were evaluated. The best conditions for sodium glutamate were achieved when 64 scans were accumulated using a nominal resolution of 4 cm(-1). The measurements for sodium glutamate were performed at 1347 cm(-1) (baseline correction between 1322 and 1369 cm(-1)). In the case of sorbitol, the measurements were done at 890cm(-1) (baseline correction between 825 and 910 cm(-1)) using a nominal resolution of 2 cm(-1) with 32 accumulated scans. In both cases, the quantitative variable was the band height. Recovery tests were performed in order to evaluate the accuracy of the method and recovery percentages in the range 93-106% were obtained. Also, the methods were compared with reference methods and no statistical differences were observed. The limits of detection and quantification for sodium glutamate were 0.20 and 0.62% (m/v), respectively, whereas for sorbitol they were 1 and 3.3% (m/v), respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

Evaluation of a setting reaction pathway in the novel composite TiHA-CSD bone cement by FT-Raman and FT-IR spectroscopy

Science.gov (United States)

Paluszkiewicz, Czesława; Czechowska, Joanna; Ślósarczyk, Anna; Paszkiewicz, Zofia

2013-02-01

The aim of this study was to determine a setting reaction pathway in a novel, surgically handy implant material, based on calcium sulfate hemihydrate (CSH) and titanium doped hydroxyapatite (TiHA). The previous studies confirmed superior biological properties of TiHA in comparison to the undoped hydroxyapatite (HA) what makes it highly attractive for future medical applications. In this study the three types of titanium modified HA powders: untreated, calcined at 800 °C, sintered at 1250 °C and CSH were used to produce bone cements. The Fourier Transform-InfraRed (FT-IR) spectroscopy and Raman spectroscopy were applied to evaluate processes taking place during the setting of the studied materials. Our results undoubtedly confirmed that the reaction pathways and the phase compositions differed significantly for set cements and were dependent on the initial heat treatment of TiHA powder. Final materials were multiphase composites consisting of calcium sulfate dihydrate, bassanite, tricalcium phosphate, hydroxyapatite and calcium titanate (perovskite). The FT-IR and Scanning Electron Microscopy (SEM) measurements performed after the incubation of the cement samples in the simulated body fluid (SBF), indicate on high bioactive potential of the obtained bone cements.

C-Ni-Pd and CNT-Ni-Pd film's molecular and crystalline structure investigations by FTIR spectroscopy and XRD diffraction

Science.gov (United States)

Stepińska, Izabela; Czerwosz, ElŻbieta; Diduszko, Ryszard; Kozłowski, Mirosław; Wronka, Halina

2017-08-01

In this work molecular and crystalline structure of new type of nanocomposite films were investigated. These films compose of CNT decorated with palladium nanograins. They were prepared on a base of C-Ni films modified in CVD process. C-Ni nanocomposite films were obtained by PVD process and their modification by CVD leads to a growth of CNT film. CNTs-Ni or C-Ni films were treated with additional PVD process with palladium. Nickel and palladium acetate and fulleren C60 are precursors of films in PVD process. FTIR spectroscopy was used to studied the molecular structure of film in every stage of preparation . The crystalline structure of these films was studied by X-ray diffraction. SEM (scanning electron microscopy) was applied to investigate film's surface topography.

Applications of diamond crystal ATR FTIR spectroscopy to the characterization of ambers.

Science.gov (United States)

Guiliano, Michel; Asia, Laurence; Onoratini, Gérard; Mille, Gilbert

2007-08-01

Diamond crystal ATR FTIR spectroscopy is a rapid technique with virtually no sample preparation which requires small sample amounts and showed potential in the study of ambers. FTIR spectra of ambers present discriminating patterns and can be used to distinguish amber from immature resins as copal, to determine local or Baltic origin of archaeological ambers and to detect most of the falsifications encountered in the amber commercialisation.

Preparation of Atomically Flat Si(111)-H Surfaces in Aqueous Ammonium Fluoride Solutions Investigated by Using Electrochemical, In Situ EC-STM and ATR-FTIR Spectroscopic Methods

International Nuclear Information System (INIS)

Bae, Sang Eun; Oh, Mi Kyung; Min, Nam Ki; Paek, Se Hwan; Hong, Suk In; Lee, Chi-Woo J.

2004-01-01

Electrochemical, in situ electrochemical scanning tunneling microscope (EC-STM), and attenuated total reflectance-FTIR (ATR-FTIR) spectroscopic methods were employed to investigate the preparation of atomically flat Si(111)-H surface in ammonium fluoride solutions. Electrochemical properties of atomically flat Si(111)-H surface were characterized by anodic oxidation and cathodic hydrogen evolution with the open circuit potential (OCP) of ca. .0.4 V in concentrated ammonium fluoride solutions. As soon as the natural oxide-covered Si(111) electrode was immersed in fluoride solutions, OCP quickly shifted to near .1 V, which was more negative than the flat band potential of silicon surface, indicating that the surface silicon oxide had to be dissolved into the solution. OCP changed to become less negative as the oxide layer was being removed from the silicon surface. In situ EC-STM data showed that the surface was changed from the initial oxide covered silicon to atomically rough hydrogen-terminated surface and then to atomically flat hydrogen terminated surface as the OCP moved toward less negative potentials. The atomically flat Si(111)-H structure was confirmed by in situ EC-STM and ATR-FTIR data. The dependence of atomically flat Si(111)-H terrace on mis-cut angle was investigated by STM, and the results agreed with those anticipated by calculation. Further, the stability of Si(111)-H was checked by STM in ambient laboratory conditions

Direct detection of saponins in crude extracts of soapnuts by FTIR.

Science.gov (United States)

Almutairi, Meshari Saad; Ali, Muhammad

2015-01-01

Direct detection of saponins in soapnuts (Sapindus mukorossi) using Fourier transform infrared (FTIR) spectroscopy is investigated in this project. Potassium bromide powder was mixed with extracted powder of soapnuts and compressed to a thin pellet for examination process. The outcome of the FTIR spectra of saponin demonstrated characteristic triterpenoid saponin absorptions of OH, C = O, C-H, and C = C, while the glycoside linkages to the sapogenins were indicated by the absorptions of C-O. The significance of this study is that saponin absorption peaks are directly detectable in crude aqueous and 95% ethanol extracts of soapnuts powder using FTIR spectroscopy, thereby eliminating the need of further expensive and exhaustive purification steps. The extracts of soapnuts were screened for saponins along with controls by phytochemical tests, and advanced spectroscopic techniques such as ultra fast liquid chromatography and ultra performance liquid chromatography quadrupole-time of flight-mass spectrometry were also implemented to validate the saponins.

FT-IR spectroscopy of lipoproteins—A comparative study

Science.gov (United States)

Krilov, Dubravka; Balarin, Maja; Kosović, Marin; Gamulin, Ozren; Brnjas-Kraljević, Jasminka

2009-08-01

FT-IR spectra, in the frequency region 4000-600 cm -1, of four major lipoprotein classes: very low density lipoprotein (VLDL), low density lipoprotein (LDL) and two subclasses of high density lipoproteins (HDL 2 and HDL 3) were analyzed to obtain their detailed spectral characterization. Information about the protein domain of particle was obtained from the analysis of amide I band. The procedure of decomposition and curve fitting of this band confirms the data already known about the secondary structure of two different apolipoproteins: apo A-I in HDL 2 and HDL 3 and apo B-100 in LDL and VLDL. For information about the lipid composition and packing of the particular lipoprotein the well expressed lipid bands in the spectra were analyzed. Characterization of spectral details in the FT-IR spectrum of natural lipoprotein is necessary to study the influence of external compounds on its structure.

Lead (II) biosorption equilibrium and characterization through FT-IR and SEM-EDAX crosslinked pectin from orange peels

International Nuclear Information System (INIS)

Garcia Villegas, Victor R.; Ale Borja, Neptali; Guzman Lezama, Enrique G.; Maldonado Garcia, Holger J.; Yipmantin Ojeda, Andrea G.

2013-01-01

Pectic material extracted from orange peels was previously cross-linked to diminish hydration and swelling capacity when pectin is found in aqueous solution medium. Degree of metoxilation (DM), galacturonic acid anhydrous (% AGA) and pKa determination allowed characterizing biosorbent. Maximum sorption capacity was obtained at pH between 4.5 and 5.5. For data processing and statistical treatment informatics Orign 6.0 version program was used. Data from biosorption equilibrium had a better fit on Langmuir sorption equation model, obtaining q max = 186 mg/g as a maximum adsorption capacity. Fourier transform infrared spectroscopy analysis (FT-IR) allowed recognizing characteristic functional groups presents as well as biomass modifications. Biosorbent surface morphologic was studied by scanning electron microscope (SEM) and elemental composition biomass before biosorption process was obtained through Energy-dispersive X-ray spectroscopy (EDAX). (author)

High-definition Fourier Transform Infrared (FT-IR) Spectroscopic Imaging of Human Tissue Sections towards Improving Pathology

Science.gov (United States)

Nguyen, Peter L.; Davidson, Bennett; Akkina, Sanjeev; Guzman, Grace; Setty, Suman; Kajdacsy-Balla, Andre; Walsh, Michael J.

2015-01-01

High-definition Fourier Transform Infrared (FT-IR) spectroscopic imaging is an emerging approach to obtain detailed images that have associated biochemical information. FT-IR imaging of tissue is based on the principle that different regions of the mid-infrared are absorbed by different chemical bonds (e.g., C=O, C-H, N-H) within cells or tissue that can then be related to the presence and composition of biomolecules (e.g., lipids, DNA, glycogen, protein, collagen). In an FT-IR image, every pixel within the image comprises an entire Infrared (IR) spectrum that can give information on the biochemical status of the cells that can then be exploited for cell-type or disease-type classification. In this paper, we show: how to obtain IR images from human tissues using an FT-IR system, how to modify existing instrumentation to allow for high-definition imaging capabilities, and how to visualize FT-IR images. We then present some applications of FT-IR for pathology using the liver and kidney as examples. FT-IR imaging holds exciting applications in providing a novel route to obtain biochemical information from cells and tissue in an entirely label-free non-perturbing route towards giving new insight into biomolecular changes as part of disease processes. Additionally, this biochemical information can potentially allow for objective and automated analysis of certain aspects of disease diagnosis. PMID:25650759

Vibrational microspectroscopy of food. Raman vs. FT-IR

DEFF Research Database (Denmark)

Thygesen, Lisbeth Garbrecht; Løkke, Mette Marie; Micklander, Elisabeth

2003-01-01

. The high spatial resolution makes it possible to study areas down to approximately 10x10 mum with FT-IR microspectroscopy and approximately 1 x 1 mum with Raman microspectroscopy. This presentation highlights the advantages and disadvantages of the two microspectroscopic techniques when applied...

Fourier transform infrared (FTIR) spectroscopy for identification of ...

African Journals Online (AJOL)

Fourier transform infrared (FTIR) spectroscopy was used in this study to identify and determine spectral features of Chlorella vulgaris Beijerinck 1890 and Scenedesmus obliquus (Turpin) Kützing 1833. Two cultures were grown in a chemically-defined media under photoautotrophic culture conditions isolated from eutrophic ...

Analysis of polymer grafted inside the porous hydrogel using confocal laser scanning microscopy

Directory of Open Access Journals (Sweden)

2007-04-01

Full Text Available Graft polymerization of glycidyl methacrylate onto the pore surface of polyacrylamide macroporous gel was implemented in DMSO-aqueous solution using diperiodatocuprate(III complexes as an initiator. The grafting densities up to 410% were achieved. The graft polymerization was confirmed by gravimetrical methods and FTIR. The graft polymerization of polymer inside the pores of the macroporous gel resulted in increased flow resistance through the gel matrix. The distribution of grafted polymer on the gel pore surface material was studied by scanning electron microscopy (SEM and confocal laser scanning microscopy (CLSM. CLSM is an alternative method for studying morphology of gel surface with grafted polymer having the advantages over the SEM allowing to investigate the distribution of grafted polymer inside the hydrogel in a native hydrated state. The microscopic techniques demonstrated uneven distribution of the grafted polymer inside the gel pores as a result of initiating the graft polymerization by insoluble initiator deposited on the pore surface.

FTIR Emission spectroscopy of surfaces

Science.gov (United States)

Van Woerkom, P. C. M.

A number of vibrational spectroscopic techniques are available For the study of surfaces, such as ATR, IR reflection-absorption, IR emission, etc. Infrared emission is hardly used, although interesting applications are possible now due to the high sensitivity of Fourier transform IR (FTIR) spectrometers. Two examples, where infrared emission measurements are very fruitful, will be given. One is the investigation of the curing behaviour of organic coatings, the other is the in situ study of heterogeneously catalyzed reactions. Undoubtedly, infrared emission measurements offer a number of specific advantages in some cases. Especially the less critical demands on the sample preparation are important.

Active and Passive Optical Imaging Modality for Unobtrusive Cardiorespiratory Monitoring and Facial Expression Assessment.

Science.gov (United States)

Blazek, Vladimir; Blanik, Nikolai; Blazek, Claudia R; Paul, Michael; Pereira, Carina; Koeny, Marcus; Venema, Boudewijn; Leonhardt, Steffen

2017-01-01

Because of their obvious advantages, active and passive optoelectronic sensor concepts are being investigated by biomedical research groups worldwide, particularly their camera-based variants. Such methods work noninvasively and contactless, and they provide spatially resolved parameter detection. We present 2 techniques: the active photoplethysmography imaging (PPGI) method for detecting dermal blood perfusion dynamics and the passive infrared thermography imaging (IRTI) method for detecting skin temperature distribution. PPGI is an enhancement of classical pulse oximetry. Approved algorithms from pulse oximetry for the detection of heart rate, heart rate variability, blood pressure-dependent pulse wave velocity, pulse waveform-related stress/pain indicators, respiration rate, respiratory variability, and vasomotional activity can easily be adapted to PPGI. Although the IRTI method primarily records temperature distribution of the observed object, information on respiration rate and respiratory variability can also be derived by analyzing temperature change over time, for example, in the nasal region, or through respiratory movement. Combined with current research areas and novel biomedical engineering applications (eg, telemedicine, tele-emergency, and telemedical diagnostics), PPGI and IRTI may offer new data for diagnostic purposes, including assessment of peripheral arterial and venous oxygen saturation (as well as their differences). Moreover, facial expressions and stress and/or pain-related variables can be derived, for example, during anesthesia, in the recovery room/intensive care unit and during daily activities. The main advantages of both monitoring methods are unobtrusive data acquisition and the possibility to assess vital variables for different body regions. These methods supplement each other to enable long-term monitoring of physiological effects and of effects with special local characteristics. They also offer diagnostic advantages for

A study on the electro-oxidation and electropolymerization of a new OPE linear molecule by EQCM and in situ FTIR spectroelectrochemistry

International Nuclear Information System (INIS)

Luo Jiao; Liu Meiling; Zhao Qiangqin; Zhao Jie; Zhang Youyu; Tan Liang; Tang Hao; Xie Qingji; Li Haitao; Yao Shouzhuo

2010-01-01

A novel symmetric conjugated oligo(phenylene-ethynylene) (OPE) linear molecule (1,4-bis(4-aminophenylethynyl)benzene); BAB) was synthesized by Sonogashira cross-coupling reactions. The structure and purity of the compound were confirmed by 1 H NMR, 13 C NMR and infrared (IR) and mass spectrometry (MS). The electrochemical oxidation process and mechanism of BAB were investigated via in situ Fourier transform infrared (FTIR) spectroelectrochemistry and electrochemical quartz crystal microbalance (EQCM). The electrochemical oxidation mechanism of BAB was proposed. The studies revealed that the BAB concentration and oxidation potential had a significant influence on the growth of the polymer film. A densely packed polymer film, which exhibited nonelectroactivity, was formed when a high monomer concentration and a high oxidation potential were used. When the electropolymerization of BAB was conducted at a lower concentration, a new pair of redox peaks appeared, and the resultant thin film had better electroactivity. The in situ FTIR studies confirmed that BAB could be electro-oxidized into radical cations and then electropolymerized via para (N-N) and/or ortho (N-C) coupling reactions to form polymers with a larger conjugated π-electron system. The surface morphology of the poly-BAB was also investigated with atomic force microscopy (AFM) and scanning electron microscopy (SEM).

Analysis of an Alanine/Arginine Mixture by Using TLC/FTIR Technique

Directory of Open Access Journals (Sweden)

Jun Liu

2014-01-01

Full Text Available We applied TLC/FTIR coupled with mapping technique to analyze an alanine/arginine mixture. Narrow band TLC plates prepared by using AgI as a stationary phase were used to separate alanine and arginine. The distribution of alanine and arginine spots was manifested by a 3D chromatogram. Alanine and arginine can be successfully separated by the narrow band TLC plate. In addition, the FTIR spectra of the separated alanine and arginine spots on the narrow band TLC plate are roughly the same as the corresponding reference IR spectra.

High-density polyethylene dosimetry by transvinylene FTIR analysis

DEFF Research Database (Denmark)

McLaughlin, W.L.; Silverman, J.; Al-Sheikhly, M.

1999-01-01

and electrons. The useful dose range of 0.053 cm thick high-density polyethylene film (rho = 0.961 g cm(-3); melt index = 0.8 dg min(-1)), for irradiations by (60)Co gamma radiation and 2.0 and 0.4 MeV electron beams in deaerated atmosphere (Na gas), is about 50-10(3) kGy for FTIR transvinylene......The formation of transvinylene unsaturation, -CH=CH-, due to free-radical or cationic-initiated dehydrogenation by irradiation, is a basic reaction in polyethylene and is useful for dosimetry at high absorbed doses. The radiation-enhanced infrared absorption having a maximum at nu = 965 cm......(-l) (lambda = 10.36 mu m) is stable in air and can be measured by Fourier-transform infrared (FTIR) spectrophotometry. The quantitative analysis is a useful means of product end-point dosimetry for radiation processing with gamma rays and electrons, where polyethylene is a component of the processed product...

A new towed platform for the unobtrusive surveying of benthic habitats and organisms

Science.gov (United States)

Zawada, David G.; Thompson, P.R.; Butcher, J.

2008-01-01

. Several example mosaics illustrate the high-quality imagery that can be obtained with this system. The images also reveal the potential for unobtrusive animal observations; fish and sea turtles are unperturbed by the presence of Deep ATRIS

DSC, FT-IR, NIR, NIR-PCA and NIR-ANOVA for determination of chemical stability of diuretic drugs: impact of excipients

Directory of Open Access Journals (Sweden)

Gumieniczek Anna

2018-03-01

Full Text Available It is well known that drugs can directly react with excipients. In addition, excipients can be a source of impurities that either directly react with drugs or catalyze their degradation. Thus, binary mixtures of three diuretics, torasemide, furosemide and amiloride with different excipients, i.e. citric acid anhydrous, povidone K25 (PVP, magnesium stearate (Mg stearate, lactose, D-mannitol, glycine, calcium hydrogen phosphate anhydrous (CaHPO4 and starch, were examined to detect interactions. High temperature and humidity or UV/VIS irradiation were applied as stressing conditions. Differential scanning calorimetry (DSC, FT-IR and NIR were used to adequately collect information. In addition, chemometric assessments of NIR signals with principal component analysis (PCA and ANOVA were applied.

Validation of the CrIS fast physical NH3 retrieval with ground-based FTIR

NARCIS (Netherlands)

Dammers, E.; Shephard, M.W.; Palm, M.; Cady-Pereira, K.; Capps, S.; Lutsch, E.; Strong, K.; Hannigan, J.W.; Ortega, I.; Toon, G.C.; Stremme, W.; Grutter, M.; Jones, N.; Smale, D.; Siemons, J.; Hrpcek, K.; Tremblay, D.; Schaap, M.; Notholt, J.; Willem Erisman, J.

2017-01-01

Presented here is the validation of the CrIS (Cross-track Infrared Sounder) fast physical NH3 retrieval (CFPR) column and profile measurements using ground-based Fourier transform infrared (FTIR) observations. We use the total columns and profiles from seven FTIR sites in the Network for the

FT-IR, RAMAN AND DFT STUDIES ON THE VIBRATIONAL ...

African Journals Online (AJOL)

Department of Physics, Science Faculty, Anadolu University, Eskişehir, Turkey ... IR spectrum was recorded using Bruker Optics IFS66v/s FTIR spectrometer at a ... spectrum was obtained using a Bruker Senterra Dispersive Raman microscope.

Differentiation of Leishmania species by FT-IR spectroscopy

Science.gov (United States)

Aguiar, Josafá C.; Mittmann, Josane; Ferreira, Isabelle; Ferreira-Strixino, Juliana; Raniero, Leandro

2015-05-01

Leishmaniasis is a parasitic infectious disease caused by protozoa that belong to the genus Leishmania. It is transmitted by the bite of an infected female Sand fly. The disease is endemic in 88 countries Desjeux (2001) [1] (16 developed countries and 72 developing countries) on four continents. In Brazil, epidemiological data show the disease is present in all Brazilian regions, with the highest incidences in the North and Northeast. There are several methods used to diagnose leishmaniasis, but these procedures have many limitations, are time consuming, have low sensitivity, and are expensive. In this context, Fourier Transform Infrared Spectroscopy (FT-IR) analysis has the potential to provide rapid results and may be adapted for a clinical test with high sensitivity and specificity. In this work, FT-IR was used as a tool to investigate the promastigotes of Leishmaniaamazonensis, Leishmaniachagasi, and Leishmaniamajor species. The spectra were analyzed by cluster analysis and deconvolution procedure base on spectra second derivatives. Results: cluster analysis found four specific regions that are able to identify the Leishmania species. The dendrogram representation clearly indicates the heterogeneity among Leishmania species. The band deconvolution done by the curve fitting in these regions quantitatively differentiated the polysaccharides, amide III, phospholipids, proteins, and nucleic acids. L. chagasi and L. major showed a greater biochemistry similarity and have three bands that were not registered in L. amazonensis. The L. amazonensis presented three specific bands that were not recorded in the other two species. It is evident that the FT-IR method is an indispensable tool to discriminate these parasites. The high sensitivity and specificity of this technique opens up the possibilities for further studies about characterization of other microorganisms.

FTIR study of aquamarines after gamma irradiation, heat treatment and electrodiffusion

International Nuclear Information System (INIS)

Alkmim, Danielle Gomides; Almeida, Frederico Ozanan Tomaz de; Lameiras, Fernando Soares

2017-01-01

Beryl, Be_3Al_2(SiO_3)_6, is a natural gemstone with many colors. Some of these colors can be induced or modified by exposure to ionizing radiation, by heating, and maybe by electrodiffusion. Small contents of chromophore chemical elements are related to the colors of beryl, like iron, chromium, vanadium, manganese, and others. There is great interest in relation to methods of improving or inducing colors in beryl. There is evidence that infrared spectroscopy (FTIR) can contribute to foresee beryl behavior submitted to procedures for color change. It was observed that electrodiffusion with or without contaminant ions did not alter the FTIR spectrum of aquamarines, unlike heat treatment. Green samples have a higher content of type I water molecules, whereas blue samples have a higher content of type II water molecules. Significant changes in FTIR spectra of aquamarines were observed only in green samples after exposure to gamma rays or to heat. The vanishing of the band at 3633 cm"-"1 may be related to the position of Na"+ ion in the crystal lattice of beryl. (author)

FTIR study of aquamarines after gamma irradiation, heat treatment and electrodiffusion

Directory of Open Access Journals (Sweden)

Danielle Gomides Alkmim

Full Text Available Abstract Beryl, Be3Al2(SiO36, is a natural gemstone with many colors. Some of these colors can be induced or modified by exposure to ionizing radiation, by heating, and maybe by electrodiffusion. Small contents of chromophore chemical elements are related to the colors of beryl, like iron, chromium, vanadium, manganese, and others. There is great interest in relation to methods of improving or inducing colors in beryl. There is evidence that infrared spectroscopy (FTIR can contribute to foresee beryl behavior submitted to procedures for color change. It was observed that electrodiffusion with or without contaminant ions did not alter the FTIR spectrum of aquamarines, unlike heat treatment. Green samples have a higher content of type I water molecules, whereas blue samples have a higher content of type II water molecules. Significant changes in FTIR spectra of aquamarines were observed only in green samples after exposure to gamma rays or to heat. The vanishing of the band at 3633 cm-1 may be related to the position of Na+ ion in the crystal lattice of beryl.

Determination of drug content in semisolid formulations by non-invasive spectroscopic methods: FTIR - ATR, - PAS, - Raman and PDS

International Nuclear Information System (INIS)

Gotter, B; Hein, J; Neubert, R H H; Faubel, W; Heissler, St

2010-01-01

This study elucidates the potential use of photothermal deflection spectroscopy (PDS), FTIR photoacoustic (FTIR-PAS), FT Raman, and FTIR-attenuated total reflection (FTIR-ATR) spectroscopy as analytical tools for investigating the drug content in semisolid formulations. Regarding the analytical parameters, this study demonstrates the photothermal beam deflection to be definitely comparable to well established spectroscopic methods for this purpose. The correlation coefficients range from 0.990 to 0.999. Likewise, repeatability and limit of detection are comparable.

Characterization and identification of microorganisms by FT-IR microspectrometry

Science.gov (United States)

Ngo-Thi, N. A.; Kirschner, C.; Naumann, D.

2003-12-01

We report on a novel FT-IR approach for microbial characterization/identification based on a light microscope coupled to an infrared spectrometer which offers the possibility to acquire IR-spectra of microcolonies containing only few hundred cells. Microcolony samples suitable for FT-IR microspectroscopic measurements were obtained by a replica technique with a stamping device that transfers spatially accurate cells of microcolonies growing on solid culture plates to a special, IR-transparent or reflecting stamping plate. High quality spectra could be recorded either by applying the transmission/absorbance or the reflectance/absorbance mode of the infrared microscope. Signal to noise ratios higher than 1000 were obtained for microcolonies as small as 40 μm in diameter. Reproducibility levels were established that allowed species and strain identification. The differentiation and classification capacity of the FT-IR microscopic technique was tested for different selected microorganisms. Cluster and factor analysis methods were used to evaluate the complex spectral data. Excellent discrimination between bacteria and yeasts, and at the same time Gram-negative and Gram-positive bacterial strains was obtained. Twenty-two selected strains of different species within the genus Staphylococcus were repetitively measured and could be grouped into correct species cluster. Moreover, the results indicated that the method allows also identifications at the subspecies level. Additionally, the new approach allowed spectral mapping analysis of single colonies which provided spatially resolved characterization of growth heterogeneity within complex microbial populations such as colonies.

Human papillomavirus detection using PCR and ATR-FTIR for cervical cancer screening

Science.gov (United States)

Rymsza, Taciana; Ribeiro, Eliane Aline; de Carvalho, Luis Felipe das Chagas e. Silva; Bhattacharjee, Tanmoy; de Azevedo Canevari, Renata

2018-05-01

The human papillomavirus (HPV) genital infection is considered one of the most common sexually transmitted diseases worldwide, and has been associated with cervical cancer. The objective of this study was to investigate the efficacy of the diagnostic methods: polymerase chain reaction (PCR) and Fourier transform infrared (FTIR) equipped with an ATR (Attenuated Total Reflectance) unit (Pike Tech) spectroscopy, to diagnose HPV infection in women undergoing gynecological examination. Seventeen patients (41.46%) of the 41 patients analyzed were diagnosed with exophytic/condyloma acuminate lesions by clinical analysis, 29 patients (70.7%) (G1 group) of the 41 patients, showed positive result for HPV cell injury by oncotic colpocitology and 12 patients (29.3%) (G2 group), presented negative result for cellular lesion and absence of clinical HPV lesion. Four samples were obtained per patient, which were submitted oncotic colpocitology analysis (Papanicolau staining, two samples), PCR (one sample) and ATR-FTIR analysis (one sample). L1 gene was amplified by PCR technique with specific GP5+/GP6+ and MY09/MY11 primers. PCR results were uniformly positive for presence of HPV in all analyzed samples. Multivariate analysis of ATR-FTIR spectra suggests no significant biochemical changes between groups and no clustering formed, concurring with results of PCR. This study suggests that PCR and ATR-FTIR are highly sensitive technique for HPV detection.

Characterisation of 1,3-diammonium propylselenate monohydrate by XRD, FT-IR, FT-Raman, DSC and DFT studies

Science.gov (United States)

Thirunarayanan, S.; Arjunan, V.; Marchewka, M. K.; Mohan, S.; Atalay, Yusuf

2016-03-01

The crystals of 1,3-diammonium propylselenate monohydrate (DAPS) were prepared and characterised X-ray diffraction (XRD), FT-IR, FT-Raman spectroscopy, and DFT/B3LYP methods. It comprises protonated propyl ammonium moieties (diammonium propyl cations), selenate anions and water molecule which are held together by a number of hydrogen bonds and form infinite chains. The XRD data confirm the transfer of two protons from selenic acid to 1,3-diaminopropane molecule. The DAPS complex is stabilised by the presence of O-H···O and N-H···O hydrogen bonds and the electrostatic interactions as well. The N···O and O···O bond distances are 2.82-2.91 and 2.77 Å, respectively. The FT-IR and FT-Raman spectra of 1,3-diammonium propyl selenate monohydrate are recorded and the complete vibrational assignments have been discussed. The geometry is optimised by B3LYP method using 6-311G, 6-311+G and 6-311+G* basis sets and the energy, structural parameters, vibrational frequencies, IR and Raman intensities are determined. Differential scanning colorimetry (DSC) data were also presented to analyse the possibility of the phase transition. Complete natural bonding orbital (NBO) analysis is carried out to analyse the intramolecular electronic interactions and their stabilisation energies. The electrostatic potential of the complex lies in the range +1.902e × 10-2 to -1.902e × 10-2. The limits of total electron density of the complex is +8.43e × 10-2 to -8.43e × 10-2.

Off-line real-time FTIR analysis of a process step in imipenem production

Science.gov (United States)

Boaz, Jhansi R.; Thomas, Scott M.; Meyerhoffer, Steven M.; Staskiewicz, Steven J.; Lynch, Joseph E.; Egan, Richard S.; Ellison, Dean K.

1992-08-01

We have developed an FT-IR method, using a Spectra-Tech Monit-IR 400 systems, to monitor off-line the completion of a reaction in real-time. The reaction is moisture-sensitive and analysis by more conventional methods (normal-phase HPLC) is difficult to reproduce. The FT-IR method is based on the shift of a diazo band when a conjugated beta-diketone is transformed into a silyl enol ether during the reaction. The reaction mixture is examined directly by IR and does not require sample workup. Data acquisition time is less than one minute. The method has been validated for specificity, precision and accuracy. The results obtained by the FT-IR method for known mixtures and in-process samples compare favorably with those from a normal-phase HPLC method.

Molecular orientation in aligned electrospun polyimide nanofibers by polarized FT-IR spectroscopy.

Science.gov (United States)

Yang, Haoqi; Jiang, Shaohua; Fang, Hong; Hu, Xiaowu; Duan, Gaigai; Hou, Haoqing

2018-07-05

Quantitative explanation on the improved mechanical properties of aligned electrospun polyimide (PI) nanofibers as the increased imidization temperatures is highly required. In this work, polarized FT-IR spectroscopy is applied to solve this problem. Based on the polarized FT-IR spectroscopy and the molecular model in the fibers, the length of the repeat unit of PI molecule, the angle between the fiber axis and the symmetric stretching direction of carbonyl group on the imide ring, and the angle between the PI molecular axis and fiber axis are all investigated. The Mark-Howink equation is used to calculate the number-average molar mass of PI molecules. The orientation states of PI molecules in the electrospun nanofibers are studied from the number-average molar mass of PI molecules and the average fiber diameter. Quantitative analysis of the orientation factor of PI molecules in the electrospun nanofibers is performed by polarized FT-IR spectroscopy. Copyright © 2018 Elsevier B.V. All rights reserved.

Assessment of Azithromycin in Pharmaceutical Formulation by Fourier-transform Infrared (FT-IR Transmission Spectroscopy

Directory of Open Access Journals (Sweden)

Muhammad Ali Mallah

2011-12-01

Full Text Available A simple, rapid and economical method for azithromycin quantification in solid tablet and capsule formulations has been developed by applying Fourier-transform Infrared (FT-IR transmission spectroscopy for regular quality monitoring. The newly developed method avoids the sample preparation, except grinding for pellet formation and does not involve consumption of any solvent as it absolutely eliminates the need of extraction. KBr pellets were employed for the appraisal of azithromycin while acquiring spectra of standards as well as samples on FT-IR. By selecting the FT-IR carbonyl band (C=O in the region 1,744–1,709 cm−1 the calibration model was developed based on simple Beer’s law. The excellent regression coefficient (R2 0.999 was accomplished for calibration set having standard error of calibration equal to 0.01 mg. The current work exposes that transmission FT-IR spectroscopy can definitely be applied to determine the exact amount of azithromycin to control the processing and quality of solid formulations with reduced cost and short analysis time.

Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR) in the Geological Sciences—A Review

Science.gov (United States)

Chen, Yanyan; Zou, Caineng; Mastalerz, Maria; Hu, Suyun; Gasaway, Carley; Tao, Xiaowan

2015-01-01

Fourier transform infrared spectroscopy (FTIR) can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advanced understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic) systems. PMID:26694380

Using differential scanning calorimetry, laser refractometry, electrical conductivity and spectrophotometry for discrimination of different types of Bulgarian honey

International Nuclear Information System (INIS)

Vlaeva, I; Nikolova, K; Tsankova, D; Bodurov, I; Marudova, M; Viraneva, A; Yovcheva, T; Lekova, S

2017-01-01

The potential of several physical methods for investigation of the botanical origin of honey has been discussed. Samples from the three most prevalent types of honey in Bulgaria (acacia, linden and honeydew) have been used. They have been examined by laser refractometry, UV, VIS and FTIR spectroscopy, electric conductivity measurement and differential scanning calorimetry. The purpose of this study was to reveal the physical characterizations of honeys from different flora produced in Bulgaria and to identify honeys with a high apitherapy potential for future studies. (paper)

FTIR Study of the Photoactivation Process of Xenopus (6-4) Photolyase†

Science.gov (United States)

Yamada, Daichi; Zhang, Yu; Iwata, Tatsuya; Hitomi, Kenichi; Getzoff, Elizabeth D.; Kandori, Hideki

2012-01-01

Photolyases (PHRs) are blue-light activated DNA repair enzymes that maintain genetic integrity by reverting UV-induced photoproducts into normal bases. The FAD chromophore of PHRs has four different redox states: oxidized (FADox), anion radical (FAD•−), neutral radical (FADH•) and fully reduced (FADH−). We combined difference Fourier-transform infrared (FTIR) spectroscopy with UV-visible spectroscopy to study the detailed photoactivation process of Xenopus (6-4) PHR. Two photons produce the enzymatically active, fully reduced PHR from oxidized FAD: FADox is converted to semiquinone via light-induced one-electron and one-proton transfers, and then to FADH− by light-induced one-electron transfer. We successfully trapped FAD•− at 200 K, where electron transfer occurs, but proton transfer does not. UV-visible spectroscopy following 450-nm illumination of FADox at 277 K defined the FADH•/FADH− mixture and allowed calculation of difference FTIR spectra among the four redox states. The absence of a characteristic C=O stretching vibration indicated that the proton donor is not a protonated carboxylic acid. Structural changes in Trp and Tyr are suggested from UV-visible and FTIR analysis of FAD•− at 200 K. Spectral analysis of amide-I vibrations revealed structural perturbation of the protein’s β-sheet during initial electron transfer (FAD•− formation), transient increase in α-helicity during proton transfer (FADH• formation) and reversion to the initial amide-I signal following subsequent electron transfer (FADH− formation). Consequently, in (6-4) PHR, unlike cryptochrome-DASH, formation of enzymatically active FADH− did not perturb α-helicity. Protein structural changes in the photoactivation of (6-4) PHR are discussed on the basis of the present FTIR observations. PMID:22747528

FTIR study of aquamarines after gamma irradiation, heat treatment and electrodiffusion

Energy Technology Data Exchange (ETDEWEB)

Alkmim, Danielle Gomides; Almeida, Frederico Ozanan Tomaz de; Lameiras, Fernando Soares, E-mail: alkmia@yahoo.com.br, E-mail: fredufmg@gmail.com, E-mail: fsl@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

2017-07-15

Beryl, Be{sub 3}Al{sub 2}(SiO{sub 3}){sub 6}, is a natural gemstone with many colors. Some of these colors can be induced or modified by exposure to ionizing radiation, by heating, and maybe by electrodiffusion. Small contents of chromophore chemical elements are related to the colors of beryl, like iron, chromium, vanadium, manganese, and others. There is great interest in relation to methods of improving or inducing colors in beryl. There is evidence that infrared spectroscopy (FTIR) can contribute to foresee beryl behavior submitted to procedures for color change. It was observed that electrodiffusion with or without contaminant ions did not alter the FTIR spectrum of aquamarines, unlike heat treatment. Green samples have a higher content of type I water molecules, whereas blue samples have a higher content of type II water molecules. Significant changes in FTIR spectra of aquamarines were observed only in green samples after exposure to gamma rays or to heat. The vanishing of the band at 3633 cm{sup -1} may be related to the position of Na{sup +} ion in the crystal lattice of beryl. (author)

FT-IR imaging for quantitative determination of liver fat content in non-alcoholic fatty liver.

Science.gov (United States)

Kochan, K; Maslak, E; Chlopicki, S; Baranska, M

2015-08-07

In this work we apply FT-IR imaging of large areas of liver tissue cross-section samples (∼5 cm × 5 cm) for quantitative assessment of steatosis in murine model of Non-Alcoholic Fatty Liver (NAFLD). We quantified the area of liver tissue occupied by lipid droplets (LDs) by FT-IR imaging and Oil Red O (ORO) staining for comparison. Two alternative FT-IR based approaches are presented. The first, straightforward method, was based on average spectra from tissues and provided values of the fat content by using a PLS regression model and the reference method. The second one – the chemometric-based method – enabled us to determine the values of the fat content, independently of the reference method by means of k-means cluster (KMC) analysis. In summary, FT-IR images of large size liver sections may prove to be useful for quantifying liver steatosis without the need of tissue staining.

Distinction of broken cellular wall Ganoderma lucidum spores and G. lucidum spores using FTIR microspectroscopy

Science.gov (United States)

Chen, Xianliang; Liu, Xingcun; Sheng, Daping; Huang, Dake; Li, Weizu; Wang, Xin

2012-11-01

In this paper, FTIR microspectroscopy was used to identify broken cellular wall Ganoderma lucidum spores and G. lucidum spores. For IR spectra, broken cellular wall G. lucidum spores and G. lucidum spores were mainly different in the regions of 3000-2800, 1660-1600, 1400-1200 and 1100-1000 cm-1. For curve fitting, the results showed the differences in the protein secondary structures and the polysaccharide structures/content between broken cellular wall G. lucidum spores and G. lucidum spores. Moreover, the value of A1078/A1741 might be a potentially useful factor to distinguish broken cellular wall G. lucidum spores from G. lucidum spores. Additionally, FTIR microspectroscopy could identify broken cellular wall G. lucidum spores and G. lucidum spores accurately when it was combined with hierarchical cluster analysis. The result suggests FTIR microspectroscopy is very simple and efficient for distinction of broken cellular wall G. lucidum spores and G. lucidum spores. The result also indicates FTIR microspectroscopy may be useful for TCM identification.

Application of FTIR spectroscopy to the characterization of archeological wood.

Science.gov (United States)

Traoré, Mohamed; Kaal, Joeri; Martínez Cortizas, Antonio

2016-01-15

Two archeological wood samples were studied by attenuated total reflectance Fourier transform infrared (FTIR-ATR) spectroscopy. They originate from a shipwreck in Ribadeo Bay in the northwest of Spain and from a beam wood of an old nave of the Cathedral of Segovia in the central Spain. Principal component analysis was applied to the transposed data matrix (samples as columns and spectral bands as rows) of 43 recorded spectra (18 in the shipwreck and 25 in the beam wood). The results showed differences between the two samples, with a larger proportion of carbohydrates and smaller proportion of lignin in the beam than in the shipwreck wood. Within the beam wood, lignin content was significantly lower in the recent than the old tree rings (P=0.005). These variations can be attributed to species differences between the two woods (oak and pine respectively), with a mixture of guaiacyl and syringyl in hardwood lignin, whereas softwood lignin consists almost exclusively of guaiacyl moieties. The influence of environmental conditions on the FTIR fingerprint was probably reflected by enhanced oxidation of lignin in aerated conditions (beam wood) and hydrolysis of carbohydrates in submerged-anoxic conditions (shipwreck wood). Molecular characterization by analytical pyrolysis of selected samples from each wood type confirmed the interpretation of the mechanisms behind the variability in wood composition obtained by the FTIR-ATR. Copyright © 2015 Elsevier B.V. All rights reserved.

Characterizing crystal disorder of trospium chloride: a comprehensive,(13) C CP/MAS NMR, DSC, FTIR, and XRPD study.

Science.gov (United States)

Urbanova, Martina; Sturcova, Adriana; Brus, Jiri; Benes, Hynek; Skorepova, Eliska; Kratochvil, Bohumil; Cejka, Jan; Sedenkova, Ivana; Kobera, Libor; Policianova, Olivia; Sturc, Antonin

2013-04-01

Analysis of C cross-polarization magic angle spinning (CP/MAS) nuclear magnetic resonance (NMR), differential scanning calorimetry (DSC), Fourier transform infrared (FTIR), and X-ray powder diffraction data of trospium chloride (TCl) products crystallized from different mixtures of water-ethanol [φ(EtOH) = 0.5-1.0] at various temperatures (0°C, 20°C) and initial concentrations (saturated solution, 30%-50% excess of solvent) revealed extensive structural variability of TCl. Although (13) C CP/MAS NMR spectra indicated broad variety of structural phases arising from molecular disorder, temperature-modulated DSC identified presence of two distinct components in the products. FTIR spectra revealed alterations in the hydrogen bonding network (ionic hydrogen bond formation), whereas the X-ray diffraction reflected unchanged unit cell parameters. These results were explained by a two-component character of TCl products in which a dominant polymorphic form is accompanied by partly separated nanocrystalline domains of a secondary phase that does not provide clear Bragg reflections. These phases slightly differ in the degree of molecular disorder, in the quality of crystal lattice and hydrogen bonding network. It is also demonstrated that, for the quality control of such complex products, (13) C CP/MAS NMR spectroscopy combined with factor analysis (FA) can satisfactorily be used for categorizing the individual samples: FA of (13) C CP/MAS NMR spectra found clear relationships between the extent of molecular disorder and crystallization conditions. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association J Pharm Sci 102:1235-1248, 2013. Copyright © 2013 Wiley Periodicals, Inc.

FTIR and multivariate analysis to study the effect of bulk and nano copper oxide on peanut plant leaves

Directory of Open Access Journals (Sweden)

S. Suresh

2016-09-01

Full Text Available In this article the potential variation in biochemical constituents of peanut plant leaves affect by presoaking peanut seeds in copper oxide nanoparticles suspension has been studied and compared with its bulk counterpart. The synthesized nanoparticles were characterized by x-ray diffraction (XRD, scanning electron microscope (SEM and transmission electron microscope (TEM studies. The Fourier transform infrared (FTIR analysis shows the most prominent peaks at ∼2923 cm−1, ∼1636 cm−1 and ∼1033 cm−1, which correspond to lipids, protein and carbohydrate content in leaf samples respectively. The calculated mean ratio of the peak intensities for various frequency regions and total band area calculation for various band regions explain the variation in lipid, protein and carbohydrate content of leaf samples. Further the FTIR spectra were processed by de-convolution and curve fitting to quantitatively examine the chemical contents and structure changing of the secondary structure of protein. The calculated integrated band area of β – sheet, β – turn and α – helix secondary structure of protein varies to greater extent in all samples compared to control. Principal component analysis (PCA has been carried out to explain the total variance in secondary structure of protein content in peanut plant leaves. Principal component 1 (PC1 accounts for 63.50% variation in secondary structure of protein whereas principal component 2 (PC2 accounts for 29.56%. The application of nanoparticles via presoaking method implies potential variation in biochemical constituents but doesn't affect the growth of plants considerably.

Applications of Micro-Fourier Transform Infrared Spectroscopy (FTIR in the Geological Sciences—A Review

Directory of Open Access Journals (Sweden)

Yanyan Chen

2015-12-01

Full Text Available Fourier transform infrared spectroscopy (FTIR can provide crucial information on the molecular structure of organic and inorganic components and has been used extensively for chemical characterization of geological samples in the past few decades. In this paper, recent applications of FTIR in the geological sciences are reviewed. Particularly, its use in the characterization of geochemistry and thermal maturation of organic matter in coal and shale is addressed. These investigations demonstrate that the employment of high-resolution micro-FTIR imaging enables visualization and mapping of the distributions of organic matter and minerals on a micrometer scale in geological samples, and promotes an advanced understanding of heterogeneity of organic rich coal and shale. Additionally, micro-FTIR is particularly suitable for in situ, non-destructive characterization of minute microfossils, small fluid and melt inclusions within crystals, and volatiles in glasses and minerals. This technique can also assist in the chemotaxonomic classification of macrofossils such as plant fossils. These features, barely accessible with other analytical techniques, may provide fundamental information on paleoclimate, depositional environment, and the evolution of geological (e.g., volcanic and magmatic systems.

DFT, FT-IR, FT-Raman and vibrational studies of 3-methoxyphenyl boronic acid

Science.gov (United States)

Patil, N. R.; Hiremath, Sudhir M.; Hiremath, C. S.

2018-05-01

The aim of this work is to study the possible stable, geometrical molecular structure, experimental and theoretical FT-IR and FT-Raman spectroscopic methods of 3-Methoxyphenyl boronic acid (3MPBA). FT-IR and FT-Raman spectra were recorded in the region of 4000-400 cm-1 and 40000-50 cm-1 respectively. The optimized geometric structure and vibrational wavenumbers of the title compound were searched by B3LYP hybrid density functional theory method with 6-311++G (d, p) basis set. The Selectedexperimentalbandswereassignedandcharacterizedonthebasisofthescaledtheoreticalwavenumbersby their potential energy distribution (PED) of the vibrational modes obtained from VEDA 4 program. Finally, the predicted calculation results were applied to simulated FT-IR and FT-Raman spectra of the title compound, which show agreement with the observed spectra. Whereas, it is observed that, the theoretical frequencies are more than the experimental one for O-H stretching vibration modes of the title molecule.

Classification of java tea ( Orthosiphon aristatus ) quality using FTIR spectroscopy and chemometrics

International Nuclear Information System (INIS)

Heryanto, R; Pradono, D I; Darusman, L K; Marlina, E

2017-01-01

Java tea ( Orthosiphon aristatus ) is a plant that widely used as a medicinal herb in Indonesia. Its quality is varying depends on various factors, such as cultivating area, climate and harvesting time. This study aimed to investigate the effectiveness of FTIR spectroscopy coupled with chemometrics for discriminating the quality of java tea from different cultivating area. FTIR spectra of ethanolic extracts were collected from five different regions of origin of java tea. Prior to chemometrics evaluation, spectra were pre-processed by using baselining, normalization and derivatization. Principal Components Analysis (PCA) was used to reduce the spectra to two PCs, which explained 73% of the total variance. Score plot of two PCs showed groupings of the samples according to their regions of origin. Furthermore, Partial Least Squares-Discriminant Analysis (PLSDA) was applied to the pre-processed data. The approach produced an external validation success rate of 100%. This study shows that FTIR analysis and chemometrics has discriminatory power to classify java tea based on its quality related to the region of origin. (paper)

Methodological effects in Fourier transform infrared (FTIR) spectroscopy: Implications for structural analyses of biomacromolecular samples

Science.gov (United States)

Kamnev, Alexander A.; Tugarova, Anna V.; Dyatlova, Yulia A.; Tarantilis, Petros A.; Grigoryeva, Olga P.; Fainleib, Alexander M.; De Luca, Stefania

2018-03-01

A set of experimental data obtained by Fourier transform infrared (FTIR) spectroscopy (involving the use of samples ground and pressed with KBr, i.e. in a polar halide matrix) and by matrix-free transmission FTIR or diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic methodologies (involving measurements of thin films or pure powdered samples, respectively) were compared for several different biomacromolecular substances. The samples under study included poly-3-hydroxybutyrate (PHB) isolated from cell biomass of the rhizobacterium Azospirillum brasilense; dry PHB-containing A. brasilense biomass; pectin (natural carboxylated heteropolysaccharide of plant origin; obtained from apple peel) as well as its chemically modified derivatives obtained by partial esterification of its galacturonide-chain hydroxyl moieties with palmitic, oleic and linoleic acids. Significant shifts of some FTIR vibrational bands related to polar functional groups of all the biomacromolecules under study, induced by the halide matrix used for preparing the samples for spectroscopic measurements, were shown and discussed. A polar halide matrix used for preparing samples for FTIR measurements was shown to be likely to affect band positions not only per se, by affecting band energies or via ion exchange (e.g., with carboxylate moieties), but also by inducing crystallisation of metastable amorphous biopolymers (e.g., PHB of microbial origin). The results obtained have important implications for correct structural analyses of polar, H-bonded and/or amphiphilic biomacromolecular systems using different methodologies of FTIR spectroscopy.

Kvantitativní FTIR spektrometrie huminových látek

Czech Academy of Sciences Publication Activity Database

Novák, F.; Machovič, Vladimír; Hrabalová, H.; Novotná, M.

2017-01-01

Roč. 111, č. 6 (2017), s. 363-373 ISSN 0009-2770 Institutional support: RVO:67985891 Keywords : FTIR * humic substances * infrared-spectroscopy * structure Subject RIV: DD - Geochemistry OBOR OECD: Analytical chemistry Impact factor: 0.387, year: 2016

Distinction of broken cellular wall Ganoderma lucidum spores and G. lucidum spores using FTIR microspectroscopy.

Science.gov (United States)

Chen, Xianliang; Liu, Xingcun; Sheng, Daping; Huang, Dake; Li, Weizu; Wang, Xin

2012-11-01

In this paper, FTIR microspectroscopy was used to identify broken cellular wall Ganoderma lucidum spores and G. lucidum spores. For IR spectra, broken cellular wall G. lucidum spores and G. lucidum spores were mainly different in the regions of 3000-2800, 1660-1600, 1400-1200 and 1100-1000 cm(-1). For curve fitting, the results showed the differences in the protein secondary structures and the polysaccharide structures/content between broken cellular wall G. lucidum spores and G. lucidum spores. Moreover, the value of A1078/A1741 might be a potentially useful factor to distinguish broken cellular wall G. lucidum spores from G. lucidum spores. Additionally, FTIR microspectroscopy could identify broken cellular wall G. lucidum spores and G. lucidum spores accurately when it was combined with hierarchical cluster analysis. The result suggests FTIR microspectroscopy is very simple and efficient for distinction of broken cellular wall G. lucidum spores and G. lucidum spores. The result also indicates FTIR microspectroscopy may be useful for TCM identification. Copyright © 2012 Elsevier B.V. All rights reserved.

An FT-Raman, FT-IR, and Quantum Chemical Investigation of Stanozolol and Oxandrolone

Directory of Open Access Journals (Sweden)

Tibebe Lemma

2017-12-01

Full Text Available We have studied the Fourier Transform Infrared (FT-IR and the Fourier transform Raman (FT-Raman spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT with a B3LYP/6-31G (d, p level of theory. The FT-IR and FT-Raman spectra were collected in a solid phase. The consistency between the calculated and experimental FT-IR and FT-Raman data indicates that the B3LYP/6-31G (d, p can generate reliable geometry and related properties of the title compounds. Selected experimental bands were assigned and characterized on the basis of the scaled theoretical wavenumbers by their total energy distribution. The good agreement between the experimental and theoretical spectra allowed positive assignment of the observed vibrational absorption bands. Finally, the calculation results were applied to simulate the Raman and IR spectra of the title compounds, which show agreement with the observed spectra.

Drift and transmission FT-IR spectroscopy of forest soils: an approach to determine decomposition processes of forest litter

International Nuclear Information System (INIS)

Haberhauer, G.; Gerzabek, M.H.

1999-06-01

A method is described to characterize organic soil layers using Fourier transformed infrared spectroscopy. The applicability of FT-IR, either dispersive or transmission, to investigate decomposition processes of spruce litter in soil originating from three different forest sites in two climatic regions was studied. Spectral information of transmission and diffuse reflection FT-IR spectra was analyzed and compared. For data evaluation Kubelka Munk (KM) transformation was applied to the DRIFT spectra. Sample preparation for DRIFT is simpler and less time consuming in comparison to transmission FT-IR, which uses KBr pellets. A variety of bands characteristics of molecular structures and functional groups has been identified for these complex samples. Analysis of both transmission FT-IR and DRIFT, showed that the intensity of distinct bands is a measure of the decomposition of forest litter. Interferences due to water adsorption spectra were reduced by DRIFT measurement in comparison to transmission FT-IR spectroscopy. However, data analysis revealed that intensity changes of several bands of DRIFT and transmission FT-IR were significantly correlated with soil horizons. The application of regression models enables identification and differentiation of organic forest soil horizons and allows to determine the decomposition status of soil organic matter in distinct layers. On the basis of the data presented in this study, it may be concluded that FT-IR spectroscopy is a powerful tool for the investigation of decomposition dynamics in forest soils. (author)

Application of Fourier Transform Infrared Spectra (FTIR) Fingerprint in the Quality Control of Mineral Chinese Medicine Limonitum.

Science.gov (United States)

Liu, Sheng-jin; Yang, Huan; Wu, De-kang; Xu, Chun-xiang; Lin, Rui-chao; Tian, Jin-gai; Fang, Fang

2015-04-01

In the present paper, the fingerprint of Limonitum (a mineral Chinese medicine) by FTIR was established, and the spectrograms among crude samples, processed one and the adulterant sample were compared. Eighteen batches of Limonitum samples from different production areas were analyzed and the angle cosine value of transmittance (%) of common peaks was calculated to get the similarity of the FTIR fingerprints. The result showed that the similarities and the coefficients of the samples were all more than 0.90. The processed samples revealed significant differences compared with the crude one. This study analyzed the composition characteristics of Limonitum in FTIR fingerprint, and it was simple and fast to distinguish the crude, processed and the counterfeit samples. The FTIR fingerprints provide a new method for evaluating the quality of Limonitum.

A chemometric method for correcting FTIR spectra of biomaterials for interference from water in KBr discs

Science.gov (United States)

FTIR analysis of solid biomaterials by the familiar KBr disc technique is very often frustrated by water interference in the important protein (amide I) and carbohydrate (hydroxyl) regions of their spectra. A method was therefore devised that overcomes the difficulty and measures FTIR spectra of so...

Rapid examination of the kinetic process of intramolecular lactamization of gabapentin using DSC-FTIR

International Nuclear Information System (INIS)

Hsu, C.-H.; Lin, S.-Y.

2009-01-01

The thermal stability and thermodynamics of gabapentin (GBP) in the solid state were investigated by DSC and TG techniques, and FTIR microspectroscopy. The detailed intramolecular lactamization process of GBP to form gabapentin-lactam (GBP-L) was also determined by thermal FTIR microspectroscopy. GBP exhibited a DSC endothermic peak at 169 deg. C. The weight loss in TG curve of GBP suggested that the evaporation process of water liberated via intramolecular lactamization was simultaneously combined with the evaporation process of GBP-L having a DSC endothermic peak at 91 deg. C. A thermal FTIR microspectroscopy clearly evidenced the IR spectra at 3350 cm -1 for water liberated and at 1701 cm -1 for lactam structure formed due to the lactam formation of GBP. This study indicates that the activation energy for combined processes of intramolecular lactamization of GBP and evaporation of GBP-L was about 114.3 ± 23.3 kJ/mol, but for the evaporation of GBP-L alone was 76.2 ± 1.5 kJ/mol. A powerful simultaneous DSC-FTIR combined technique was easily used to quickly examine the detailed kinetic processes of intramolecular cyclization of GPB and evaporation of GBP-L in the solid state

A Synchrotron FTIR Microspectroscopy Investigation of Fungal Hyphae Grown under Optimal and Stressed Conditions

International Nuclear Information System (INIS)

Szeghalmi, A.; Kaminskyj, S.; Gough, K.

2007-01-01

Synchrotron FTIR can provide high spatial resolution ( o C but have growth defects at 42 o C. We have also investigated Neurospora and Rhizopus cultures grown in media with optimal or elevated pH. Significant differences between the spectra of the three fungi are likely related to differences in composition and structure. In addition, high spatial resolution synchrotron FTIR spectroscopy provides an outstanding method for monitoring subtle subcellular changes that accompany environmental stress

FTIR characterization of Mexican honey and its adulteration with sugar syrups by using chemometric methods

Energy Technology Data Exchange (ETDEWEB)

Rios-Corripio, M A; Rojas-Lopez, M; Delgado-Macuil, R [CIBA-Tlaxcala, IPN, Tlaxcala, Tlax. (Mexico); Rios-Leal, E [CINVESTAV, Zacatenco, Mexico D.F. (Mexico)

2011-01-01

A chemometric analysis of adulteration of Mexican honey by sugar syrups such as corn syrup and cane sugar syrup was realized. Fourier transform infrared spectroscopy (FTIR) was used to measure the absorption of a group of bee honey samples from central region of Mexico. Principal component analysis (PCA) was used to process FTIR spectra to determine the adulteration of bee honey. In addition to that, the content of individual sugars from honey samples: glucose, fructose, sucrose and monosaccharides was determined by using PLS-FTIR analysis validated by HPLC measurements. This analytical methodology which is based in infrared spectroscopy and chemometry can be an alternative technique to characterize and also to determine the purity and authenticity of nutritional products as bee honey and other natural products.

Preliminary Discrimination of Cheese Adulteration by FT-IR Spectroscopy

Directory of Open Access Journals (Sweden)

Lucian Cuibus

2014-11-01

Full Text Available The present work describes a preliminary study to compare some traditional Romanian cheeses and adulterated cheeses using Attenuated Total Reflectance-Fourier transform infrared spectroscopy (ATR-FTIR. For PLS model calibration (6 concentration levels and validation (5 concentration levels sets were prepared from commercial Dalia Cheese from different manufacturers by spiking it with palm oil at concentrations ranging 2-50 % and 5-40 %, respectively. Fifteen Dalia Cheese were evaluated as external set. The spectra of each sample, after homogenization, were acquired in triplicate using a FTIR Shimatsu Prestige 21 Spectrophotometer, with a horizontal diamond ATR accessory in the MIR region 4000-600 cm-1. Statistical methods as PLS were applied using MVC1 routines written for Matlab R2010a. As first step the optimal condition for PLS model were obtained using cross-validation on the Calibration set. Spectral region in 3873-652 cm-1, and 3 PLS-factors were stated as the best conditions and showed an R2 value of 0.9338 and a relative error in the calibration of 17.2%. Then validation set was evaluated, obtaining good recovery rates (108% and acceptable dispersion of the data (20%. The curve of actual vs. predicted values shows slope near to 1 and origin close to 0, with an R2 of 0.9695. When the external sample set was evaluated, samples F19, F21, F22 and F24, showed detectable levels of palm fats. The results proved that FTIR-PLS is a reliable non-destructive technique for a rapid quantification the level of adulteration in cheese.  The spectroscopic methods could assist the quality control authority, traders and the producers to discriminate the adulterated cheeses with palm oil.

Signal-to-noise ratio of FT-IR CO gas spectra

DEFF Research Database (Denmark)

Bak, J.; Clausen, Sønnik

1999-01-01

in emission and transmission spectrometry, an investigation of the SNR in CO gas spectra as a function of spectral resolution has been carried out. We present a method to (1) determine experimentally the SNR at constant throughput, (2) determine the SNR on the basis of measured noise levels and Hitran......The minimum amount of a gaseous compound which can be detected and quantified with Fourier transform infrared (FT-IR) spectrometers depends on the signal-to-noise ratio (SNR) of the measured gas spectra. In order to use low-resolution FT-IR spectrometers to measure combustion gases like CO and CO2...... simulated signals, and (3) determine the SNR of CO from high to low spectral resolutions related to the molecular linewidth and vibrational-rotational lines spacing. In addition, SNR values representing different spectral resolutions but scaled to equal measurement times were compared. It was found...

Validation of the CrIS fast physical NH3 retrieval with ground-based FTIR

Directory of Open Access Journals (Sweden)

E. Dammers

2017-07-01

Full Text Available Presented here is the validation of the CrIS (Cross-track Infrared Sounder fast physical NH3 retrieval (CFPR column and profile measurements using ground-based Fourier transform infrared (FTIR observations. We use the total columns and profiles from seven FTIR sites in the Network for the Detection of Atmospheric Composition Change (NDACC to validate the satellite data products. The overall FTIR and CrIS total columns have a positive correlation of r  =  0.77 (N  =  218 with very little bias (a slope of 1.02. Binning the comparisons by total column amounts, for concentrations larger than 1.0  ×  1016 molecules cm−2, i.e. ranging from moderate to polluted conditions, the relative difference is on average ∼ 0–5 % with a standard deviation of 25–50 %, which is comparable to the estimated retrieval uncertainties in both CrIS and the FTIR. For the smallest total column range (< 1.0  × 1016 molecules cm−2 where there are a large number of observations at or near the CrIS noise level (detection limit the absolute differences between CrIS and the FTIR total columns show a slight positive column bias. The CrIS and FTIR profile comparison differences are mostly within the range of the single-level retrieved profile values from estimated retrieval uncertainties, showing average differences in the range of  ∼ 20 to 40 %. The CrIS retrievals typically show good vertical sensitivity down into the boundary layer which typically peaks at  ∼ 850 hPa (∼ 1.5 km. At this level the median absolute difference is 0.87 (std  =  ±0.08 ppb, corresponding to a median relative difference of 39 % (std  =  ±2 %. Most of the absolute and relative profile comparison differences are in the range of the estimated retrieval uncertainties. At the surface, where CrIS typically has lower sensitivity, it tends to overestimate in low-concentration conditions and underestimate

Study of consumer fireworks post-blast residues by ATR-FTIR.

Science.gov (United States)

Martín-Alberca, Carlos; Zapata, Félix; Carrascosa, Héctor; Ortega-Ojeda, Fernando E; García-Ruiz, Carmen

2016-03-01

Specific analytical procedures are requested for the forensic analysis of pre- and post-blast consumer firework samples, which present significant challenges. Up to date, vibrational spectroscopic techniques such as Fourier transform infrared spectroscopy (FTIR) have not been tested for the analysis of post-blast residues in spite of their interesting strengths for the forensic field. Therefore, this work proposes a simple and fast procedure for the sampling and analysis of consumer firework post-blast residues by a portable FTIR instrument with an Attenuated Total Reflection (ATR) accessory. In addition, the post-blast residues spectra of several consumer fireworks were studied in order to achieve the identification of their original chemical compositions. Hence, this work analysed 22 standard reagents usually employed to make consumer fireworks, or because they are related to their combustion products. Then, 5 different consumer fireworks were exploded, and their residues were sampled with dry cotton swabs and directly analysed by ATR-FTIR. In addition, their pre-blast fuses and charges were also analysed in order to stablish a proper comparison. As a result, the identification of the original chemical compositions of the post-blast samples was obtained. Some of the compounds found were potassium chlorate, barium nitrate, potassium nitrate, potassium perchlorate or charcoal. An additional study involving chemometric tools found that the results might greatly depend on the swab head type used for the sampling, and its sampling efficiency. The proposed procedure could be used as a complementary technique for the analysis of consumer fireworks post-blast residues. Copyright © 2015 Elsevier B.V. All rights reserved.

Application of FT-IR spectroscopy on breast cancer serum analysis

Science.gov (United States)

Elmi, Fatemeh; Movaghar, Afshin Fayyaz; Elmi, Maryam Mitra; Alinezhad, Heshmatollah; Nikbakhsh, Novin

2017-12-01

Breast cancer is regarded as the most malignant tumor among women throughout the world. Therefore, early detection and proper diagnostic methods have been known to help save women's lives. Fourier Transform Infrared (FT-IR) spectroscopy, coupled with PCA-LDA analysis, is a new technique to investigate the characteristics of serum in breast cancer. In this study, 43 breast cancer and 43 healthy serum samples were collected, and the FT-IR spectra were recorded for each one. Then, PCA analysis and linear discriminant analysis (LDA) were used to analyze the spectral data. The results showed that there were differences between the spectra of the two groups. Discriminating wavenumbers were associated with several spectral differences over the 950-1200 cm- 1(sugar), 1190-1350 cm- 1 (collagen), 1475-1710 cm- 1 (protein), 1710-1760 cm- 1 (ester), 2800-3000 cm- 1 (stretching motions of -CH2 & -CH3), and 3090-3700 cm- 1 (NH stretching) regions. PCA-LDA performance on serum IR could recognize changes between the control and the breast cancer cases. The diagnostic accuracy, sensitivity, and specificity of PCA-LDA analysis for 3000-3600 cm- 1 (NH stretching) were found to be 83%, 84%, 74% for the control and 80%, 76%, 72% for the breast cancer cases, respectively. The results showed that the major spectral differences between the two groups were related to the differences in protein conformation in serum samples. It can be concluded that FT-IR spectroscopy, together with multivariate data analysis, is able to discriminate between breast cancer and healthy serum samples.

FTIR spectroscopy as an alternative tool for high gamma dose dosimetry using P(VDF-TrFE) fluorinated copolymers

Energy Technology Data Exchange (ETDEWEB)

Medeiros, Adriana S.; Liz, Otavio S., E-mail: asm@cdtn.b [Universidade Federal de Minas Gerais (DEN/UFMG), Belo Horizonte, MG (Brazil). Dept. de Engenharia Nuclear; Faria, Luiz O., E-mail: farialo@cdtn.b [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

2011-07-01

Poly(vinylidene fluoride) [PVDF] is a semicrystalline homopolymer and some of its fluorinated copolymer has demonstrated to have sensitiveness to high doses of ionizing radiation. We have recently proposed a semicrystalline fluorinated PVDF copolymer, the poly(vinylidene-trifluorethylene) [P(VDF-TrFE], as a candidate for measuring larger dose ranges. In fact, in these copolymers the optical absorption peak at 274 nm has been used to measure gamma doses ranging from 1.0 to 100.0 kGy and the melting latent heat, collected by differential scanning calorimetry (DSC), have been used to measure gamma doses from 1.0 to 1,000.0 kGy. In this paper, the infrared stretching vibration of radio-induced in-chain unsaturations (CH=CF) in P(VDF-TrFE) copolymers has been considered as an alternative tool for high dose dosimetric purposes. FTIR spectroscopic data revealed two optical absorption bands at 1754 cm{sup -1} and 1854 cm{sup -1} whose intensities are unambiguously related to gamma delivered doses ranging from 100.0 kGy to 1,000.0 kGy. Fading was evaluated one month after irradiation. The results indicate that the sample dose evaluation should be performed in the first two hours after being exposed to the radiation beam. The radio-induced formation of unsaturations was also investigated by ultraviolet and visible spectroscopy, which has confirmed the gradual increase of conjugated C=C bonds with the absorbed dose. Our results indicate that quantitative analysis of FTIR absorption bands is a useful tool to perform a product end-point dosimetry in radiation processing facilities that use high gamma dose irradiation. (author)

[Relationship between PMI and ATR-FTIR Spectral Changes in Swine Costal Cartilages and Ribs].

Science.gov (United States)

Yao, Yao; Wang, Qi; Jing, Xiao-li; Li, Bing; Zhang, Yin-ming; Wang, Zhi-jun; Li, Cheng-zhi; Lin, Han-cheng; Zhang, Ji; Huang, Ping; Wang, Zhen-yuan

2016-02-01

To analyze postmortem chemical changes in Landrace costal cartilages and ribs using attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy, and to provide a novel technique for estimation of postmortem interval (PMI). The swines were sacrificed by hemorrhage and their costal cartilages and ribs were kept in 20 degrees C. The chemical analysis of the costal cartilages and ribs were performed using ATR-FTIR every 72 h. The correlation between the certain spectral parameters and PMI was also analyzed. The time-dependent changes of costal cartilages were more significant than ribs. There were no obvious changes for the main absorbance bands position, and some absorbance band ratios showed time-dependent changes and significant correlations with the PMI. ATR-FTIR has the ability to analyze postmortem chemical changes of the swine costal cartilages and ribs, and it can be a new method to estimate PMI based on spectroscopy.

FT-IR spectrum of grape seed oil and quantum models of fatty acids triglycerides

Science.gov (United States)

Berezin, K. V.; Antonova, E. M.; Shagautdinova, I. T.; Chernavina, M. L.; Dvoretskiy, K. N.; Grechukhina, O. N.; Vasilyeva, L. M.; Rybakov, A. V.; Likhter, A. M.

2018-04-01

FT-IR spectra of grape seed oil and glycerol were registered in the 650-4000 cm-1 range. Molecular models of glycerol and some fatty acids that compose the oil under study - linoleic, oleic, palmitic and stearic acids - as well as their triglycerides were developed within B3LYP/6-31G(d) density functional model. A vibrating FT-IR spectrum of grape seed oil was modeled on the basis of calculated values of vibrating wave numbers and IR intensities of the fatty acids triglycerides and with regard to their percentage. Triglyceride spectral bands that were formed by glycerol linkage vibrations were revealed. It was identified that triglycerol linkage has a small impact on the structure of fatty acids and, consequently, on vibrating wave numbers. The conducted molecular modeling became a basis for theoretical interpretation on 10 experimentally observed absorption bands in FT-IR spectrum of grape seed oil.

THE FTIR STUDIES OF PHOTO-OXIDATIVE DEGRADATION OF POLYPROPYLENE

Institute of Scientific and Technical Information of China (English)

WEN Zaiqing; HU Xingzhou; SHEN Deyan

1988-01-01

The photo-oxidative degradation process of polypropylene film containing iron ions was investigated via FTIR and absorbance substraction technique. It is shown that the iron ions play an important role in the decomposition of hydroperoxide and the increase of the degradation rate of polypropylene film. Theamorphous region of PP film undergoes degradation prior to the crystalline one.

Thermal analysis and FTIR studies of sewage sludge produced in treatment plants. The case of sludge in the city of Uberlândia-MG, Brazil

International Nuclear Information System (INIS)

Oliveira Silva, Jader de; Filho, Guimes Rodrigues; Silva Meireles, Carla da; Dias Ribeiro, Sabrina; Vieira, Júlia Graciele; Vieira da Silva, Cleuzilene; Alves Cerqueira, Daniel

2012-01-01

Highlights: ► In this study, the sludge was characterized by thermal analyses and FTIR. ► The superior calorific value of the sludge was 16.2 MJ kg −1 . ► The sludge showed a significant biodegradable portion of 65%. ► The UASB sludge can be used for energy source. - Abstract: The operation of anaerobic reactors in Brazil creates a by-product, sewage sludge, for which adequate treatment is necessary to obtain a solid and stable material. The burning of sewage sludge may be an effective alternative for its management, and looking to enhance its energy potential, an environmentally friendly method of disposal is necessary. As the quantity of sludge generated has increased over the past few years, the physical chemical characterization of this waste is the first stage for its utilization as raw material. The material was characterized by thermal analyses (Thermogravimetry (TG)/Differential Thermal Analysis (DTA) and Differential Scanning Calorimetry (DSC)) and Infrared Analysis (FTIR) in order to determine the main organic groups present in sludge. The calorific power of the anaerobically digested sludge of Uberlândia-MG, Brazil was measured, and an energy content equal to 16.2 MJ kg −1 was found, which is within the range of values reported in the literature.

Retrieval and satellite intercomparison of O3 measurements from ground-based FTIR Spectrometer at Equatorial Station: Addis Ababa, Ethiopia

Directory of Open Access Journals (Sweden)

T. von Clarmann

2013-02-01

Full Text Available Since May 2009, high-resolution Fourier Transform Infrared (FTIR solar absorption spectra have been recorded at Addis Ababa (9.01° N latitude, 38.76° E longitude, 2443 m altitude above sea level, Ethiopia. The vertical profiles and total column amounts of ozone (O3 are deduced from the spectra by using the retrieval code PROFFIT (V9.5 and regularly determined instrumental line shape (ILS. A detailed error analysis of the O3 retrieval is performed. Averaging kernels of the target gas shows that the major contribution to the retrieved information comes from the measurement. The degrees of freedom for signals is found to be 2.1 on average for the retrieval of O3 from the observed FTIR spectra. The ozone Volume Mixing Ratio (VMR profiles and column amounts retrieved from FTIR spectra are compared with the coincident satellite observations of Microwave Limb Sounding (MLS, Michelson Interferometer for Passive Atmospheric Sounding (MIPAS, Tropospheric Emission Spectrometer (TES, Ozone Monitoring Instrument (OMI, Atmospheric Infrared Sounding (AIRS and Global Ozone Monitoring Experiment (GOME-2 instruments. The mean relative differences in ozone profiles of FTIR from MLS and MIPAS are generally lower than 15% within the altitude range of 27 to 36 km, whereas difference from TES is lower than 1%. Comparisons of measurements of column amounts from the satellite and the ground-based FTIR show very good agreement as exhibited by relative differences within +0.2% to +2.8% for FTIR versus MLS and GOME-2; and −0.9 to −9.0% for FTIR versus OMI, TES and AIRS. The corresponding standard deviations are within 2.0 to 2.8% for FTIR versus MLS and GOME-2 comparisons whereas that of FTIR versus OMI, TES and AIRS are within 3.5 to 7.3%. Thus, the retrieved O3 VMR and column amounts from a tropical site, Addis Ababa, is found to exhibit very good agreement with all coincident satellite observations over an approximate 3-yr period.

[Relation between PMI and FTIR spectral changes in asphyxiated rat's liver and spleen].

Science.gov (United States)

Li, Shi-ying; Shao, Yu; Li, Zheng-dong; Zou, Dong-hua; Qin, Zhi-qiang; Chen, Yi-jiu; Huang, Ping

2012-10-01

Fourier transform infrared (FTIR) spectroscopy was applied to observe the postmortem degradation process in mechanical asphyxiated rat's liver and spleen for providing a new method of estimating PMI. Rats were sacrificed by mechanical asphyxia and cadavers were kept at (20 +/- 2) degrees C in a control chamber. The liver and spleen were sub-sampled from the same rat at intervals of 0-15 days postmortem and the data were measured by FTIR spectrometer. The different absorbance (A) ratios of peaks were calculated and the curve estimation analysis between absorbance ratios (x) and PMI (y) were performed to establish mathematical models by the statistical software. The band absorbance ratios showed increase, decrease and stable with PMI. The cubic model functions showed the strongest correlation coefficient. Compared with the spleen, the liver showed a higher correlation coefficient. The A1541/A1396 of liver showed the highest correlation coefficient (r=0.966). After 6-7 days postmortem, band absorbance ratios showed a steady period. FTIR spectroscopy can be a new and efficient method to estimate PMI within 7 days.

Thermal analysis and FTIR studies of sewage sludge produced in treatment plants. The case of sludge in the city of Uberlandia-MG, Brazil

Energy Technology Data Exchange (ETDEWEB)

Oliveira Silva, Jader de [Instituto de Quimica da Universidade Federal de Uberlandia, Av. Joao Naves de Avila, 2121, CEP 38400-902, Cx. Postal 593, Uberlandia - Minas Gerais (Brazil); Departamento Municipal de Agua e Esgoto de Uberlandia (DMAE) (Brazil); Filho, Guimes Rodrigues, E-mail: guimes@ufu.br [Instituto de Quimica da Universidade Federal de Uberlandia, Av. Joao Naves de Avila, 2121, CEP 38400-902, Cx. Postal 593, Uberlandia - Minas Gerais (Brazil); Silva Meireles, Carla da; Dias Ribeiro, Sabrina; Vieira, Julia Graciele [Instituto de Quimica da Universidade Federal de Uberlandia, Av. Joao Naves de Avila, 2121, CEP 38400-902, Cx. Postal 593, Uberlandia - Minas Gerais (Brazil); Vieira da Silva, Cleuzilene [Faculdade de Engenharia Quimica da Universidade Federal de Uberlandia (Brazil); Alves Cerqueira, Daniel [Instituto de Ciencias Ambientais e Desenvolvimento Sustentavel da Universidade Federal da Bahia (Brazil)

2012-01-20

Highlights: Black-Right-Pointing-Pointer In this study, the sludge was characterized by thermal analyses and FTIR. Black-Right-Pointing-Pointer The superior calorific value of the sludge was 16.2 MJ kg{sup -1}. Black-Right-Pointing-Pointer The sludge showed a significant biodegradable portion of 65%. Black-Right-Pointing-Pointer The UASB sludge can be used for energy source. - Abstract: The operation of anaerobic reactors in Brazil creates a by-product, sewage sludge, for which adequate treatment is necessary to obtain a solid and stable material. The burning of sewage sludge may be an effective alternative for its management, and looking to enhance its energy potential, an environmentally friendly method of disposal is necessary. As the quantity of sludge generated has increased over the past few years, the physical chemical characterization of this waste is the first stage for its utilization as raw material. The material was characterized by thermal analyses (Thermogravimetry (TG)/Differential Thermal Analysis (DTA) and Differential Scanning Calorimetry (DSC)) and Infrared Analysis (FTIR) in order to determine the main organic groups present in sludge. The calorific power of the anaerobically digested sludge of Uberlandia-MG, Brazil was measured, and an energy content equal to 16.2 MJ kg{sup -1} was found, which is within the range of values reported in the literature.

Using FTIR-photoacoustic spectroscopy for phosphorus speciation analysis of biochars

DEFF Research Database (Denmark)

Bekiaris, Georgios; Peltre, Clément; Jensen, Lars Stoumann

2016-01-01

In the last decade, numerous studies have evaluated the benefits of biochar for improving soil quality. The purposes of the current study were to use Fourier transform infrared-photoacoustic spectroscopy (FTIR-PAS) to analyse P species in biochar and to determine the effect of pyrolysis temperatu...

Collaborative Student Laboratory Exercise Using FT-IR Spectroscopy for the Kinetics Study of a Biotin Analogue

Science.gov (United States)

Leong, Jhaque; Ackroyd, Nathan C.; Ho, Karen

2014-01-01

The synthesis of N-methoxycarbonyl-2-imidazolidone, an analogue of biotin, was conducted by organic chemistry students and confirmed using FT-IR and H NMR. Spectroscopy students used FT-IR to measure the rate of hydrolysis of the product and determined the rate constant for the reaction using the integrated rate law. From the magnitude of the rate…

Time-resolved FTIR [Fourier transform infrared] emission studies of laser photofragmentation and chain reactions

International Nuclear Information System (INIS)

Leone, S.R.

1990-01-01

Recent progress is described resulting from the past three years of DOE support for studies of combustion-related photofragmentation dynamics, energy transfer, and reaction processes using a time-resolved Fourier transform infrared (FTIR) emission technique. The FTIR is coupled to a high repetition rate excimer laser which produces radicals by photolysis to obtain novel, high resolution measurements on vibrational and rotational state dynamics. The results are important for the study of numerous radical species relevant to combustion processes. The method has been applied to the detailed study of photofragmentation dynamics in systems such as acetylene, which produces C 2 H; chlorofluoroethylene to study the HF product channel; vinyl chloride and dichloroethylene, which produce HCl; acetone, which produces CO and CH 3 ; and ammonia, which produces NH 2 . In addition, we have recently demonstrated use of the FTIR technique for preliminary studies of energy transfer events under near single collision conditions, radical-radical reactions, and laser-initiated chain reaction processes

Rapid authentication of edible bird's nest by FTIR spectroscopy combined with chemometrics.

Science.gov (United States)

Guo, Lili; Wu, Yajun; Liu, Mingchang; Ge, Yiqiang; Chen, Ying

2018-06-01

Edible bird's nests (EBNs) have been traditionally regarded as a kind of medicinal and healthy food in China. For economic reasons, they are frequently subjected to adulteration with some cheaper substitutes, such as Tremella fungus, agar, fried pigskin, and egg white. As a kind of precious and functional product, it is necessary to establish a robust method for the rapid authentication of EBNs with small amounts of samples by simple processes. In this study, the Fourier transform infrared spectroscopy (FTIR) system was utilized and its feasibility for identification of EBNs was verified. FTIR spectra data of authentic and adulterated EBNs were analyzed by chemometrics analyses including principal component analysis, linear discriminant analysis (LDA), support vector machine (SVM) and one-class partial least squares (OCPLS). The results showed that the established LDA and SVM models performed well and had satisfactory classification ability, with the former 94.12% and the latter 100%. The OCPLS model was developed with prediction sensitivity of 0.937 and specificity of 0.886. Further detection of commercial EBN samples confirmed these results. FTIR is applicable in the scene of rapid authentication of EBNs, especially for quality supervision departments, entry-exit inspection and quarantine, and customs administration. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Field measurements of flue gases from combustion of miscellaneous fuels using a low-resolution FTIR gas analyzer

International Nuclear Information System (INIS)

Larjava, K.T.; Tormonen, K.E.; Jaakkola, P.T.; Roos, A.A.

1997-01-01

Combustion flue gases of three different industrial boilers firing miscellaneous fuels (peat, wood, and bark, sawdust and biological sludge) were monitored for a two-week period. Nitric oxide (NO), sulfur dioxide (SO 2 ), carbon monoxide (CO), carbon dioxide (CO 2 ), and total hydrocarbons (C x H y ) were continuously measured using single-component gas analyzers in parallel with a low-resolution Fourier Transform Infrared (FTIR) gas analyzer. Hydrogen chloride (HCl) was measured continuously using the FTIR analyzer and semi-continuously using a traditional liquid-absorption technique. Nitrous oxide (N 2 O), nitrogen dioxide (NO 2 ), and water vapor (H 2 O) were continuously measured using the FTIR analyzer only. Laboratory tests were conducted prior to the field measurements to assess the detection limits of the different measurement methods for each gas component. No significant differences were found between the results of the low-resolution FTIR analyzer and the single-component analyzers or the liquid absorption method. 11 refs., 10 figs., 3 tabs

Evaluation of Turmeric Powder Adulterated with Metanil Yellow Using FT-Raman and FT-IR Spectroscopy

Directory of Open Access Journals (Sweden)

Sagar Dhakal

2016-05-01

Full Text Available Turmeric powder (Curcuma longa L. is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman and Fourier Transform-Infra Red (FT-IR spectroscopy as separate but complementary methods for detecting metanil yellow adulteration of turmeric powder. Sample mixtures of turmeric powder and metanil yellow were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1%, and 0.01% (w/w. FT-Raman and FT-IR spectra were acquired for these mixture samples as well as for pure samples of turmeric powder and metanil yellow. Spectral analysis showed that the FT-IR method in this study could detect the metanil yellow at the 5% concentration, while the FT-Raman method appeared to be more sensitive and could detect the metanil yellow at the 1% concentration. Relationships between metanil yellow spectral peak intensities and metanil yellow concentration were established using representative peaks at FT-Raman 1406 cm−1 and FT-IR 1140 cm−1 with correlation coefficients of 0.93 and 0.95, respectively.

Prediction of the lifetime of nitrile-butadiene rubber by FT-IR.

Science.gov (United States)

Kawashima, Tetsuya; Ogawa, Toshio

2005-12-01

A quantitative measurement method with FT-IR was proposed for a thermal degradation analysis of nitrile-butadiene rubber (NBR). An NBR film was prepared as a model sample on a barium fluoride (BaF2) crystal plate, which was subjected to a heat treatment. The absorbances of various functional groups were measured directly by FT-IR after thermal degradation at high temperatures. By measuring the absorbances, it was possible to readily determine quantitatively each of the functional groups after the degradation of NBR. By assuming that the NBR lifetime was the point at which the absorbance of a carbon-carbon double bond reaches 45% of that prior to thermal treatment, a method for predicting the lifetime of NBR heated below 150 degrees C was proposed, by using an Arrhenius plot of the heating time versus heating temperature.

Multivariate analysis of ATR-FTIR spectra for assessment of oil shale organic geochemical properties

Science.gov (United States)

Washburn, Kathryn E.; Birdwell, Justin E.

2013-01-01

In this study, attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FTIR) was coupled with partial least squares regression (PLSR) analysis to relate spectral data to parameters from total organic carbon (TOC) analysis and programmed pyrolysis to assess the feasibility of developing predictive models to estimate important organic geochemical parameters. The advantage of ATR-FTIR over traditional analytical methods is that source rocks can be analyzed in the laboratory or field in seconds, facilitating more rapid and thorough screening than would be possible using other tools. ATR-FTIR spectra, TOC concentrations and Rock–Eval parameters were measured for a set of oil shales from deposits around the world and several pyrolyzed oil shale samples. PLSR models were developed to predict the measured geochemical parameters from infrared spectra. Application of the resulting models to a set of test spectra excluded from the training set generated accurate predictions of TOC and most Rock–Eval parameters. The critical region of the infrared spectrum for assessing S1, S2, Hydrogen Index and TOC consisted of aliphatic organic moieties (2800–3000 cm−1) and the models generated a better correlation with measured values of TOC and S2 than did integrated aliphatic peak areas. The results suggest that combining ATR-FTIR with PLSR is a reliable approach for estimating useful geochemical parameters of oil shales that is faster and requires less sample preparation than current screening methods.

FTIR study of ageing of fast drying oil colour (FDOC) alkyd paint replicas

Science.gov (United States)

Duce, Celia; Della Porta, Valentina; Tiné, Maria Rosaria; Spepi, Alessio; Ghezzi, Lisa; Colombini, Maria Perla; Bramanti, Emilia

2014-09-01

We propose ATR-FTIR spectroscopy for the characterization of the spectral changes in alkyd resin from the Griffin Alkyd Fast Drying Oil Colour range (Winsor & Newton), occurring over 550 days (˜18 months) of natural ageing and over six months of artificial ageing under an acetic acid atmosphere. Acetic acid is one of the atmospheric pollutants found inside museums in concentrations that can have a significant effect on the works exhibited. During natural ageing we observed an increase and broadening of the OH group band around 3300 cm-1 and an increase in bands in the region 1730-1680 cm-1 due to carbonyl stretching. We found a broad band around 1635 cm-1 likely due to Cdbnd O stretching vibrations of β dichetons. These spectral changes are the result of autooxidation reactions during natural ageing and crosslinking, which then form f alcohols and carbonyl species. The increase in absorbance at 1635 cm-1 was selected as a parameter to monitor the ageing process of paintings prepared with FDOC, without the need for any extractive procedure. FTIR spectra of paint replicas kept under an acetic acid atmosphere indicated the chemical groups involved in the reaction with acid, thus suggesting which spectral FTIR regions could be investigated in order to follow any degradation in real paintings. A red paint sample from a hyper-realistic artwork (“Racconta storie”, 2003) by the Italian painter Patrizia Zara was investigated by FTIR in order to evaluate the effects of 10 years natural ageing on alkyd colours. The results obtained suggested that after the end of chemical drying (autooxidation), alkyd colours are very stable.

Reconciling FTIR Spectroscopy with Top-off Operations at the Advanced Light Source

International Nuclear Information System (INIS)

Vernoud, Laetitia; Bechtel, Hans A.; Borondics, Ferenc; Martin, Michael C.

2009-01-01

Top-off operations is a quasi-continuous injection mode that increases the flux and brightness of a synchrotron source and improves thermal stability of optical components by maintaining a constant current in the storage ring. Although the increased and constant flux is advantageous for FTIR measurements, the frequent injections (about one every 30 seconds in the ALS case) introduce artifacts into the spectrum by creating spikes in the interferogram data. These spikes are caused by brief beam motion during the injection event. Here, we describe our efforts to minimize the effects of top-off generated interferogram spikes on several FTIR spectrometers. They include using a fast feedback mirror system to correct for beam motion and a gating signal to inhibit interferogram collection during a top-off injection.

A FTIR study water in membrane of nitrocellulose prepared by phase inversion

International Nuclear Information System (INIS)

Benosmane, N.; Boutemeur, B.; Hamdi, M.

2004-01-01

Full text.Cellulose derivates were the first biopolymers used to produce synthesis membranes for technical applications, in this study the state of water in asymmetric membrane of nitrocellulose, prepared by the phase inversion process, was investigated using infrared spectroscopy (FTIR), after membrane preparation by the wet inversion process in acetone, the spectre FTIR of wet asymmetric membrane of nitrocellulose after immersion in water (after one week) is compared to the spectre of dried asymmetric membrane of nitrocellulose, the difference in spectre of dried and wet membrane indicate a weakly hydrogen-bonded to the polymer hydroxyl groups between water and hydroxyl groups in surface of membrane, the results demonstrate the amount of water species present in the surface of asymmetric membrane and heterogeneous of surface

[Motion control of moving mirror based on fixed-mirror adjustment in FTIR spectrometer].

Science.gov (United States)

Li, Zhong-bing; Xu, Xian-ze; Le, Yi; Xu, Feng-qiu; Li, Jun-wei

2012-08-01

The performance of the uniform motion of the moving mirror, which is the only constant motion part in FTIR spectrometer, and the performance of the alignment of the fixed mirror play a key role in FTIR spectrometer, and affect the interference effect and the quality of the spectrogram and may restrict the precision and resolution of the instrument directly. The present article focuses on the research on the uniform motion of the moving mirror and the alignment of the fixed mirror. In order to improve the FTIR spectrometer, the maglev support system was designed for the moving mirror and the phase detection technology was adopted to adjust the tilt angle between the moving mirror and the fixed mirror. This paper also introduces an improved fuzzy PID control algorithm to get the accurate speed of the moving mirror and realize the control strategy from both hardware design and algorithm. The results show that the development of the moving mirror motion control system gets sufficient accuracy and real-time, which can ensure the uniform motion of the moving mirror and the alignment of the fixed mirror.

Laser Spark Formamide Decomposition Studied by FT-IR Spectroscopy

Czech Academy of Sciences Publication Activity Database

Ferus, Martin; Kubelík, Petr; Civiš, Svatopluk

2011-01-01

Roč. 115, č. 44 (2011), s. 12132-12141 ISSN 1089-5639 R&D Projects: GA AV ČR IAA400400705; GA AV ČR IAAX00100903; GA ČR GAP208/10/2302 Institutional research plan: CEZ:AV0Z40400503 Keywords : FT-IR spectroscopy * high-power laser * induced dielectric-breakdown Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.946, year: 2011

Caracterização de um pré-impregnado aeronáutico por FT-IR e análise térmica Characterization of pre-impregnated of epoxy resin/carbon fiber

Directory of Open Access Journals (Sweden)

Vanesa C. G. M. Ferrari

2012-01-01

Full Text Available Este trabalho consiste na caracterização de um pré-impregnado ("prepreg" de resina epoxídica/fibra de carbono, usando-se espectroscopia no infravermelho com transformada de Fourier (FT-IR, análise termogravimétrica (TG, calorimetria exploratória diferencial (DSC e análise térmica dinâmico-mecânica (DMTA. A análise por FT-IR foi realizada nos modos de transmissão (pastilha de KBr, pirólise em bico de Bunsen e controlada e detecção fotoacústica (PAS. Os espectros de FT-IR de transmissão revelaram a presença de resina epoxídica, grupos ciano, amínicos e bisfenol A, que possibilitaram identificar o provável agente de cura:a cianoguanidina (ou dicianodiamida do sistema epoxídico. Os espectros de FT-IR/PAS permitiram acompanhar as alterações espectrométricas causadas pela cura. A análise térmica auxiliou na observação e compreensão dos eventos durante o processo de cura, etapas de gelificação e vitrificação, e da influência destas nas temperaturas de transição vítrea (Tg do material curado e na escolha do intervalo de temperatura de cura, que é um dos parâmetros mais importantes do processo produtivo.This work explores the characterization of pre-impregnated ("prepreg" materials made with an epoxy resin/carbon fiber, using FT-IR spectroscopy, thermogravimetry (TG, differential scanning calorimetry (DSC and dynamic mechanical thermal analysis (DMTA. FT-IR spectroscopy was used in the transmission mode (KBr pellets, pyrolysis without control and controlled pyrolysis and photoacoustic detection (FT-IR/PAS. The transmission FT-IR spectra revealed the presence of epoxy resin, cyano groups, amine and bisphenol A, which allowed us to identify the probable agent of cure: cyanoguanidine (or DCD. With FT-IR/PAS it was possible to monitor spectrometric changes caused by curing. The thermal analysis assisted in observing and understanding events during the curing process, including the gelation and vitrification steps. It

An interchangeable scanning Hall probe/scanning SQUID microscope

International Nuclear Information System (INIS)

Tang, Chiu-Chun; Lin, Hui-Ting; Wu, Sing-Lin; Chen, Tse-Jun; Wang, M. J.; Ling, D. C.; Chi, C. C.; Chen, Jeng-Chung

2014-01-01

We have constructed a scanning probe microscope for magnetic imaging, which can function as a scanning Hall probe microscope (SHPM) and as a scanning SQUID microscope (SSM). The scanning scheme, applicable to SHPM and SSM, consists of a mechanical positioning (sub) micron-XY stage and a flexible direct contact to the sample without a feedback control system for the Z-axis. With the interchangeable capability of operating two distinct scanning modes, our microscope can incorporate the advantageous functionalities of the SHPM and SSM with large scan range up to millimeter, high spatial resolution (⩽4 μm), and high field sensitivity in a wide range of temperature (4.2 K-300 K) and magnetic field (10 −7 T-1 T). To demonstrate the capabilities of the system, we present magnetic images scanned with SHPM and SSM, including a RbFeB magnet and a nickel grid pattern at room temperature, surface magnetic domain structures of a La 2/3 Ca 1/3 MnO 3 thin film at 77 K, and superconducting vortices in a striped niobium film at 4.2 K

Diamond/carbon nanotube composites: Raman, FTIR and XPS spectroscopic studies

Czech Academy of Sciences Publication Activity Database

Varga, Marián; Ižák, Tibor; Vretenár, V.; Kozak, Halyna; Holovský, Jakub; Artemenko, Anna; Hulman, M.; Skákalová, V.; Lee, D. S.; Kromka, Alexander

2016-01-01

Roč. 111, Jan (2016), s. 54-61 ISSN 0008-6223 R&D Projects: GA ČR GC15-22102J; GA MŠk(CZ) 7AMB14SK037 Institutional support: RVO:68378271 Keywords : diamond * carbon nanotubes * spectroscopy * Raman * FTIR * XPS Subject RIV: JI - Composite Materials Impact factor: 6.337, year: 2016

Sulfato/thiosulfato reducing bacteria characterization by FT-IR spectroscopy: a new approach to biocorrosion control.

Science.gov (United States)

Rubio, Celine; Ott, Christelle; Amiel, Caroline; Dupont-Moral, Isabelle; Travert, Josette; Mariey, Laurence

2006-03-01

Sulfato and Thiosulfato Reducing Bacteria (SRB, TRB) can induce corrosion process on steel immersed in seawater. This phenomenon, called biocorrosion, costs approximatively 5 billion euros in France each year. We provide the first evidence that Fourier Transformed InfraRed (FTIR) spectroscopy is a competitive technique to evaluate the sulfurogen flora involved in biocorrosion in comparison with time consuming classical identification methods or PCR analyses. A great discrimination was obtained between SRB, TRB and some contamination bacteria known to be present in seawater and seem to be able to reduce sulfate under particular conditions. Moreover, this preliminary study demonstrates that FTIR spectroscopic and genotypic results present a good correlation (these results are confirmed by other data obtained before or later, data not shown here). The advantages gained by FTIR spectroscopy are to give information on strain phenotype and bacterial metabolism which are of great importance in corrosion processes.

Qualitative analysis of thin films of crude oil deposits on the metallic substrate by Fourier transform infrared (FTIR) microscopy

DEFF Research Database (Denmark)

Batina, N.; Reyna-Cordova, A.; Trinidad-Reyes, Y.

2005-01-01

Thin films of crude oil samples were prepared for atomic force microscopy (AFM) analysis on the gold substrate. Sample preparation involved evaporation during a long (24 h) but mild thermal exposure (80 °C). Fourier transform infrared (FTIR) microscopy (reflectance spectroscopy) was employed...... of oxidation state was compared to surface morphology data by AFM previously reported. The reported results emphasize the advantage of complementary techniques (AFM/FTIR microscopy) in the analysis of petroleum thin films that should be considered during analysis and interpretation of this type of data....... to determinate the quality of the thin film surface, before the morphology characterization. The surface reflectance spectra were compared to direct transmittance FTIR of liquid oil samples. The two FTIR techniques showed different spectral characteristics related to oxygenated functionalities. This clearly...

FTIR and structural properties of co-precipitated cobalt ferrite nano particles

International Nuclear Information System (INIS)

Hutamaningtyas, E.; Utari; Suharyana; Purnama, B.; Wijayanta, A. T.

2016-01-01

The FTIR and structural properties in co-precipitated cobalt ferrite (CoFe 2 O 4 ) nanoparticles are discussed in this paper. The synthesis was conducted at temperatures of 75°C and 95°C following post annealing at 1200°C for 5 hours. Other modification samples were synthesis at temperature of 95°C and then annealing at temperature of 1000°C and 1200°C for 5 hours. For both modification of synthesis and annealing temperature, FTIR result showed a metal oxide at a wave number of 590 cm -1 which indicated cobalt ferrite nanoparticles. The crystalline structure was confirmed using x-ray diffraction that the high purity of cobalt ferrite was realized. Calculation of the cation distribution by using comparison I 220 /I 222 and I 422 /I 222 show that the synthesis and annealing temperature succesfully modify cation occupy the site octahedral and tetrahedral. (paper)

HPTLC Hyphenated with FTIR: Principles, Instrumentation and Qualitative Analysis and Quantitation

Science.gov (United States)

Cimpoiu, Claudia

In recent years, much effort has been devoted to the coupling of high-performance thin-layer chromatography (HPTLC) with spectrometric methods because of the robustness and simplicity of HPTLC and the need for detection techniques that provide identification and determination of sample constituents. IR is one of the spectroscopic methods that have been coupled with HPTLC. IR spectroscopy has a high potential for the elucidation of molecular structures, and the characteristic absorption bands can be used for compound-specific detection. HPTLC-FTIR coupled method has been widely used in the modern laboratories for the qualitative and quantitative analysis. The potential of this method is demonstrated by its application in different fields of analysis such as drug analysis, forensic analysis, food analysis, environmental analysis, biological analysis, etc. The hyphenated HPTLC-FTIR technique will be developed in the future with the aim of taking full advantage of this method.

Heterogeneity of shale documented by micro-FTIR and image analysis.

Science.gov (United States)

Chen, Yanyan; Mastalerz, Maria; Schimmelmann, Arndt

2014-12-01

In this study, four New Albany Shale Devonian and Mississippian samples, with vitrinite reflectance [Ro ] values ranging from 0.55% to 1.41%, were analyzed by micro-FTIR mapping of chemical and mineralogical properties. One additional postmature shale sample from the Haynesville Shale (Kimmeridgian, Ro = 3.0%) was included to test the limitation of the method for more mature substrates. Relative abundances of organic matter and mineral groups (carbonates, quartz and clays) were mapped across selected microscale regions based on characteristic infrared peaks and demonstrated to be consistent with corresponding bulk compositional percentages. Mapped distributions of organic matter provide information on the organic matter abundance and the connectivity of organic matter within the overall shale matrix. The pervasive distribution of organic matter mapped in the New Albany Shale sample MM4 is in agreement with this shale's high total organic carbon abundance relative to other samples. Mapped interconnectivity of organic matter domains in New Albany Shale samples is excellent in two early mature shale samples having Ro values from 0.55% to 0.65%, then dramatically decreases in a late mature sample having an intermediate Ro of 1.15% and finally increases again in the postmature sample, which has a Ro of 1.41%. Swanson permeabilities, derived from independent mercury intrusion capillary pressure porosimetry measurements, follow the same trend among the four New Albany Shale samples, suggesting that micro-FTIR, in combination with complementary porosimetric techniques, strengthens our understanding of porosity networks. In addition, image processing and analysis software (e.g. ImageJ) have the capability to quantify organic matter and total organic carbon - valuable parameters for highly mature rocks, because they cannot be analyzed by micro-FTIR owing to the weakness of the aliphatic carbon-hydrogen signal. © 2014 The Authors Journal of Microscopy © 2014 Royal

Comparison of FTIR-ATR and Raman spectroscopy in determination of VLDL triglycerides in blood serum with PLS regression

Science.gov (United States)

Oleszko, Adam; Hartwich, Jadwiga; Wójtowicz, Anna; Gąsior-Głogowska, Marlena; Huras, Hubert; Komorowska, Małgorzata

2017-08-01

Hypertriglyceridemia, related with triglyceride (TG) in plasma above 1.7 mmol/L is one of the cardiovascular risk factors. Very low density lipoproteins (VLDL) are the main TG carriers. Despite being time consuming, demanding well-qualified staff and expensive instrumentation, ultracentrifugation technique still remains the gold standard for the VLDL isolation. Therefore faster and simpler method of VLDL-TG determination is needed. Vibrational spectroscopy, including FT-IR and Raman, is widely used technique in lipid and protein research. The aim of this study was assessment of Raman and FT-IR spectroscopy in determination of VLDL-TG directly in serum with the isolation step omitted. TG concentration in serum and in ultracentrifugated VLDL fractions from 32 patients were measured with reference colorimetric method. FT-IR and Raman spectra of VLDL and serum samples were acquired. Partial least square (PLS) regression was used for calibration and leave-one-out cross validation. Our results confirmed possibility of reagent-free determination of VLDL-TG directly in serum with both Raman and FT-IR spectroscopy. Quantitative VLDL testing by FT-IR and/or Raman spectroscopy applied directly to maternal serum seems to be promising screening test to identify women with increased risk of adverse pregnancy outcomes and patient friendly method of choice based on ease of performance, accuracy and efficiency.

Detection of metanil yellow contamination in turmeric using FT-Raman and FT-IR spectroscopy

Science.gov (United States)

Dhakal, Sagar; Chao, Kuanglin; Qin, Jianwei; Kim, Moon; Schmidt, Walter; Chan, Dian

2016-05-01

Turmeric is well known for its medicinal value and is often used in Asian cuisine. Economically motivated contamination of turmeric by chemicals such as metanil yellow has been repeatedly reported. Although traditional technologies can detect such contaminants in food, high operational costs and operational complexities have limited their use to the laboratory. This study used Fourier Transform Raman Spectroscopy (FT-Raman) and Fourier Transform - Infrared Spectroscopy (FT-IR) to identify metanil yellow contamination in turmeric powder. Mixtures of metanil yellow in turmeric were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1% and 0.01% (w/w). The FT-Raman and FT-IR spectral signal of pure turmeric powder, pure metanil yellow powder and the 8 sample mixtures were obtained and analyzed independently to identify metanil yellow contamination in turmeric. The results show that FT-Raman spectroscopy and FT-IR spectroscopy can detect metanil yellow mixed with turmeric at concentrations as low as 1% and 5%, respectively, and may be useful for non-destructive detection of adulterated turmeric powder.

Monitoring wine aging with Fourier transform infrared spectroscopy (FT-IR

Directory of Open Access Journals (Sweden)

Basalekou Marianthi

2015-01-01

Full Text Available Oak wood has commonly been used in wine aging but recently other wood types such as Acacia and Chestnut, have attracted the interest of the researchers due to their possible positive contribution to wine quality. However, only the use of oak and chestnut woods is approved by the International Enological Codex of the International Organisation of Vine and Wine. In this study Fourier Transform (FT-mid-infrared spectroscopy combined with Discriminant Analysis was used to differentiate wines aged in barrels made from French oak, American oak, Acacia and Chestnut and in tanks with oak chips, over a period of 12 months. Two red (Mandilaria, Kotsifali and two white (Vilana, Dafni native Greek grape varieties where used to produce four wines. The Fourier Transform Infrared (FT-IR spectra of the samples were recorded on a Zinc Selenide (ZnSe window after incubation at 40 °C for 30 min. A complete differentiation of the samples according to both the type of wood used and the contact time was achieved based on their FT-IR spectra.

An interchangeable scanning Hall probe/scanning SQUID microscope

Energy Technology Data Exchange (ETDEWEB)

Tang, Chiu-Chun; Lin, Hui-Ting; Wu, Sing-Lin [Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Chen, Tse-Jun; Wang, M. J. [Institute of Astronomy and Astrophysics, Academia Sinica, Taipei 10617, Taiwan (China); Ling, D. C. [Department of Physics, Tamkang University, Tamsui Dist., New Taipei City 25137, Taiwan (China); Chi, C. C.; Chen, Jeng-Chung [Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Frontier Research Center on Fundamental and Applied Sciences of Matters, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

2014-08-15

We have constructed a scanning probe microscope for magnetic imaging, which can function as a scanning Hall probe microscope (SHPM) and as a scanning SQUID microscope (SSM). The scanning scheme, applicable to SHPM and SSM, consists of a mechanical positioning (sub) micron-XY stage and a flexible direct contact to the sample without a feedback control system for the Z-axis. With the interchangeable capability of operating two distinct scanning modes, our microscope can incorporate the advantageous functionalities of the SHPM and SSM with large scan range up to millimeter, high spatial resolution (⩽4 μm), and high field sensitivity in a wide range of temperature (4.2 K-300 K) and magnetic field (10{sup −7} T-1 T). To demonstrate the capabilities of the system, we present magnetic images scanned with SHPM and SSM, including a RbFeB magnet and a nickel grid pattern at room temperature, surface magnetic domain structures of a La{sub 2/3}Ca{sub 1/3}MnO{sub 3} thin film at 77 K, and superconducting vortices in a striped niobium film at 4.2 K.

Sugar and acid content of Citrus prediction modeling using FT-IR fingerprinting in combination with multivariate statistical analysis.

Science.gov (United States)

Song, Seung Yeob; Lee, Young Koung; Kim, In-Jung

2016-01-01

A high-throughput screening system for Citrus lines were established with higher sugar and acid contents using Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate analysis. FT-IR spectra confirmed typical spectral differences between the frequency regions of 950-1100 cm(-1), 1300-1500 cm(-1), and 1500-1700 cm(-1). Principal component analysis (PCA) and subsequent partial least square-discriminant analysis (PLS-DA) were able to discriminate five Citrus lines into three separate clusters corresponding to their taxonomic relationships. The quantitative predictive modeling of sugar and acid contents from Citrus fruits was established using partial least square regression algorithms from FT-IR spectra. The regression coefficients (R(2)) between predicted values and estimated sugar and acid content values were 0.99. These results demonstrate that by using FT-IR spectra and applying quantitative prediction modeling to Citrus sugar and acid contents, excellent Citrus lines can be early detected with greater accuracy. Copyright © 2015 Elsevier Ltd. All rights reserved.

FTIR study of the photoreaction of bovine rhodopsin in the presence of hydroxylamine.

Science.gov (United States)

Katayama, Kota; Furutani, Yuji; Kandori, Hideki

2010-07-15

In bovine rhodopsin, 11-cis-retinal forms a Schiff base linkage with Lys296. The Schiff base is not reactive to hydroxylamine in the dark, which is consistent with the well-protected retinal binding site. In contrast, under illumination it easily forms all-trans retinal oxime, resulting in the loss of color. This suggests that activation of rhodopsin creates a specific reaction channel for hydroxylamine or loosens the chromophore binding pocket. In the present study, to extract structural information on the Schiff base vicinity and to understand the changes upon activation of rhodopsin, we compared light-induced FTIR difference spectra of bovine rhodopsin in the presence and absence of hydroxylamine under physiological pH (approximately 7). Although the previous FTIR study did not observe the complex formation between rhodopsin and G-protein transducin in hydrated films, the present study clearly shows that hydrated films can be used for studies of the interaction between rhodopsin and hydroxylamine. Hydroxylamine does not react with the Schiff base of Meta-I intermediate trapped at 240 K, possibly because of decreased conformational motions under the frozen environment, while FTIR spectroscopy showed that hydroxylamine affects the hydrogen bonds of the Schiff base and water molecules in Meta-I. In contrast, formation of the retinal oxime was clearly observed at 280 K, the characteristic temperature of Meta-II accumulation in the absence of hydroxylamine, and time-dependent formation of retinal oxime was observed from Meta-II at 265 K as well. The obtained difference FTIR spectra of retinal oxime and opsin are different from that of Meta-II. It is likely that the antiparallel beta-sheet constituting a part of the retinal binding pocket at the extracellular surface is structurally disrupted in the presence of hydroxylamine, which allows the hydrolysis of the Schiff base into retinal oxime.

Application of Fourier transform infrared (FTIR) spectroscopy for the identification of wheat varieties.

Science.gov (United States)

Amir, Rai Muhammad; Anjum, Faqir Muhammad; Khan, Muhammad Issa; Khan, Moazzam Rafiq; Pasha, Imran; Nadeem, Muhammad

2013-10-01

Quality characteristics of wheat are determined by different physiochemical and rheological analysis by using different AACC methods. AACC methods are expensive, time consuming and cause destruction of samples. Fourier transforms infrared (FTIR) spectroscopy is one of the most important and emerging tool used for analyzing wheat for different quality parameters. This technique is rapid and sensitive with a great variety of sampling techniques. In the present study different wheat varieties were analyzed for quality assessment and were also characterized by using AACC methods and FTIR technique. The straight grade flour was analyzed for physical, chemical and rheological properties by standard methods and results were obtained. FTIR works on the basis of functional groups and provide information in the form of peaks. On basis of peaks the value of moisture, protein, fat, ash, carbohydrates and hardness of grain were determined. Peaks for water were observed in the range 1,640 cm(-1) and 3,300 cm(-1) on the basis of functional group H and OH. Protein was observed in the range from 1,600 cm(-1) to 1,700 cm(-1) and 1,550 cm(-1) to 1,570 cm(-1) on the basis of bond amide I and amide II respectively. Fat was also observed within these ranges but on the basis of C-H bond and also starch was observed in the range from 2,800 and 3,000 cm(-1) (C-H stretch region) and in the range 3,000 and 3,600 cm(-1) (O-H stretch region). As FTIR is a fast tool it can be easily emplyed for wheat varieties identification according to a set criterion.

Study of the Pyrrol/Diphenylamine Copolymer by FT-IR spectroscopy and conductivity

Directory of Open Access Journals (Sweden)

Carlos Alberto Perez

2004-01-01

Full Text Available The main goal of this study was to analyze the physical properties of the copolymer formed by the electrochemical deposition of the polydiphenylamine (PDPA on polypyrrole (Ppy and Ppy on PDPA, in different conditions, through the characterization of the materials formed by the resonant Raman, FT-IR and conductivity techniques. The interactions among the species which are present in the new copolymer structure and the changes in electronic conductivity, were verified. The copolymer was also synthesized electrochemically in the presence of iodide species and the material was characterized by FT-IR spectroscopy and conductivity. The role of the dopant was studied in the process of charge transfer between the copolymer-dopant, acting in the stabilization of the species in the polymer backbone and the increase of the electronic conductivity.

NEW SCANNING DEVICE FOR SCANNING TUNNELING MICROSCOPE APPLICATIONS

NARCIS (Netherlands)

SAWATZKY, GA; Koops, Karl Richard

A small, single piezo XYZ translator has been developed. The device has been used as a scanner for a scanning tunneling microscope and has been tested successfully in air and in UHV. Its simple design results in a rigid and compact scanning unit which permits high scanning rates.

Stability of some Cactaceae proteins based on fluorescence, circular dichroism, and differential scanning calorimetry measurements.

Science.gov (United States)

Gorinstein, S; Zemser, M; Vargas-Albores, F; Ochoa, J L; Paredes-Lopez, O; Scheler, C; Aksu, S; Salnikow, J

1999-02-01

Characterization of three cactus proteins (native and denatured) from Machaerocereus gummosus (Pitahaya agria), Lophocereu schottii (Garambullo), and Cholla opuntia (Cholla), was based on electrophoretic, fluorescence, CD (circular dichroism), DSC (differential scanning calorimetry), and FT-IR (Fourier transform infrared) measurements. The obtained results of intrinsic fluorescence, DSC, and CD were dissimilar for the three species of cactus, providing evidence of differences in secondary and tertiary structures. Cactus proteins may be situated in the following order corresponding to their relative stability: Machaerocereus gummosus (Pitahaya agria) > Cholla opuntia (Cholla) > Lophocereu schottii (Garambullo). Thermodynamic properties of proteins and their changes upon denaturation (temperature of denaturation, enthalphy, and the number of ruptured hydrogen bonds) were correlated with the secondary structure of proteins and disappearance of alpha-helix.

The characterization of natural gemstones using non-invasive FT-IR spectroscopy: New data on tourmalines.

Science.gov (United States)

Mercurio, Mariano; Rossi, Manuela; Izzo, Francesco; Cappelletti, Piergiulio; Germinario, Chiara; Grifa, Celestino; Petrelli, Maurizio; Vergara, Alessandro; Langella, Alessio

2018-02-01

Fourteen samples of tourmaline from the Real Museo Mineralogico of Federico II University (Naples) have been characterized through multi-methodological investigations (EMPA-WDS, SEM-EDS, LA-ICP-MS, and FT-IR spectroscopy). The samples show different size, morphology and color, and are often associated with other minerals. Data on major and minor elements allowed to identify and classify tourmalines as follows: elbaites, tsilaisite, schorl, dravites, uvites and rossmanite. Non-invasive, non-destructive FT-IR and in-situ analyses were carried out on the same samples to validate this chemically-based identification and classification. The results of this research show that a complete characterization of this mineral species, usually time-consuming and expensive, can be successfully achieved through non-destructive FT-IR technique, thus representing a reliable tool for a fast classification extremely useful to plan further analytical strategies, as well as to support gemological appraisals. Copyright © 2017 Elsevier B.V. All rights reserved.

Nuclear Scans

Science.gov (United States)

Nuclear scans use radioactive substances to see structures and functions inside your body. They use a special ... images. Most scans take 20 to 45 minutes. Nuclear scans can help doctors diagnose many conditions, including ...

Antioxidant activity and FT-IR analysis of Datura innoxia and Datura ...

African Journals Online (AJOL)

Materials and Methods: Determination of total phenolic content and total flavonoid content and antioxidant activity in terms of total antioxidant assay, ABTS assay, DPPH assay and in-vitro lipid peroxidation inhibiting activity were determined along with the FT-IR (Fourier transform infrared spectroscopy) analysis of the ...

High Spatial Resolution Analysis of Fungal Cell Biochemistry: Bridging the Analytical Gap using Synchrotron FTIR Spectromicroscopy

International Nuclear Information System (INIS)

Kaminskyj, S.; Konstantin, J.; Szeghalmi, A.; Gough, K.

2008-01-01

Fungi impact humans and the environment in many ways, for good and ill. Some fungi support the growth of terrestrial plants or are used in biotechnology, and yet others are established or emerging pathogens. In some cases, the same organism may play different roles depending on the context or the circumstance. A better understanding of the relationship between fungal biochemical composition as related to the fungal growth environment is essential if we are to support or control their activities. Synchrotron FTIR (sFTIR) spectromicroscopy of fungal hyphae is a major new tool for exploring cell composition at a high spatial resolution. Brilliant synchrotron light is essential for this analysis due to the small size of fungal hyphae. sFTIR biochemical characterization of subcellular variation in hyphal composition will allow detailed exploration of fungal responses to experimental treatments and to environmental factors.

Analytical characterization of polymers used in conservation and restoration by ATR-FTIR spectroscopy.

Science.gov (United States)

Chércoles Asensio, Ruth; San Andrés Moya, Margarita; de la Roja, José Manuel; Gómez, Marisa

2009-12-01

In the last few decades many new polymers have been synthesized that are now being used in cultural heritage conservation. The physical and chemical properties and the long-term behaviors of these new polymers are determined by the chemical composition of the starting materials used in their synthesis along with the nature of the substances added to facilitate their production. The practical applications of these polymers depend on their composition and form (foam, film, sheets, pressure-sensitive adhesives, heat-seal adhesives, etc.). Some materials are used in restoration works and others for the exhibition, storage and transport of works of art. In all cases, it is absolutely necessary to know their compositions. Furthermore, many different materials that are manufactured for other objectives are also used for conservation and restoration. The technical information about the materials provided by the manufacturer is usually incomplete, so it is necessary to analytically characterize such materials. FTIR spectrometry is widely used for polymer identification, and, more recently, ATR-FTIR has been shown to give excellent results. This paper reports the ATR-FTIR analysis of samples of polymeric materials used in the conservation of artworks. These samples were examined directly in the solid material without sample preparation.

Real-time Bacterial Detection by Single Cell Based Sensors UsingSynchrotron FTIR Spectromicroscopy

Energy Technology Data Exchange (ETDEWEB)

Veiseh, Mandana; Veiseh, Omid; Martin, Michael C.; Bertozzi,Carolyn; Zhang, Miqin

2005-08-10

Microarrays of single macrophage cell based sensors weredeveloped and demonstrated for real time bacterium detection bysynchrotron FTIR microscopy. The cells were patterned on gold-SiO2substrates via a surface engineering technique by which the goldelectrodes were immobilized with fibronectin to mediate cell adhesion andthe silicon oxide background were passivated with PEG to resist proteinadsorption and cell adhesion. Cellular morphology and IR spectra ofsingle, double, and triple cells on gold electrodes exposed tolipopolysaccharide (LPS) of different concentrations were compared toreveal the detection capabilities of these biosensors. The single-cellbased sensors were found to generate the most significant IR wave numbervariation and thus provide the highest detection sensitivity. Changes inmorphology and IR spectrum for single cells exposed to LPS were found tobe time- and concentration-dependent and correlated with each other verywell. FTIR spectra from single cell arrays of gold electrodes withsurface area of 25 mu-m2, 100 mu-m2, and 400 mu-m2 were acquired usingboth synchrotron and conventional FTIR spectromicroscopes to study thesensitivity of detection. The results indicated that the developedsingle-cell platform can be used with conventional FTIRspectromicroscopy. This technique provides real-time, label-free, andrapid bacterial detection, and may allow for statistic and highthroughput analyses, and portability.

Distinction of leukemia patients' and healthy persons' serum using FTIR spectroscopy

Science.gov (United States)

Sheng, Daping; Liu, Xingcun; Li, Weizu; Wang, Yuchan; Chen, Xianliang; Wang, Xin

2013-01-01

In this paper, FTIR spectroscopy was applied to compare the serum from leukemia patients with the serum from healthy persons. IR spectra of leukemia patients' serum were similar with IR spectra of healthy persons' serum, and they were all made up of proteins, lipids and nucleic acids, etc. In order to identify leukemia patients' serum and healthy persons' serum, the H1075/H1542, H1045/H1467, H2959/H2931 ratios were measured. The H2959/H2931 ratio had the highest significant difference among these ratios and might be a useful factor for identifying leukemia patients' serum and healthy persons' serum. Furthermore, from curve fitting, the RNA/DNA (A1115/A1028) ratios were observed to be lower in leukemia patients' serum than those in healthy persons' serum. The results indicated FTIR spectroscopic study of serum might be a useful tool in the field of leukemia research and diagnosis.

Transmission FTIR derivative spectroscopy for estimation of furosemide in raw material and tablet dosage form

Directory of Open Access Journals (Sweden)

Máximo Gallignani

2014-10-01

Full Text Available A Fourier transform infrared derivative spectroscopy (FTIR-DS method has been developed for determining furosemide (FUR in pharmaceutical solid dosage form. The method involves the extraction of FUR from tablets with N,N-dimethylformamide by sonication and direct measurement in liquid phase mode using a reduced path length cell. In general, the spectra were measured in transmission mode and the equipment was configured to collect a spectrum at 4 cm−1 resolution and a 13 s collection time (10 scans co-added. The spectra were collected between 1400 cm−1 and 450 cm−1. Derivative spectroscopy was used for data processing and quantitative measurement using the peak area of the second order spectrum of the major spectral band found at 1165 cm−1 (SO2 stretching of FUR with baseline correction. The method fulfilled most validation requirements in the 2 mg/mL and 20 mg/mL range, with a 0.9998 coefficient of determination obtained by simple calibration model, and a general coefficient of variation <2%. The mean recovery for the proposed assay method resulted within the (100±3% over the 80%–120% range of the target concentration. The results agree with a pharmacopoeial method and, therefore, could be considered interchangeable.

Brain PET scan

Science.gov (United States)

... results on a PET scan. Blood sugar or insulin levels may affect the test results in people with diabetes . PET scans may be done along with a CT scan. This combination scan is called a PET/CT. Alternative Names Brain positron emission tomography; PET scan - brain References Chernecky ...

Aberration-free FTIR spectroscopic imaging of live cells in microfluidic devices.

Science.gov (United States)

Chan, K L Andrew; Kazarian, Sergei G

2013-07-21

The label-free, non-destructive chemical analysis offered by FTIR spectroscopic imaging is a very attractive and potentially powerful tool for studies of live biological cells. FTIR imaging of live cells is a challenging task, due to the fact that cells are cultured in an aqueous environment. While the synchrotron facility has proven to be a valuable tool for FTIR microspectroscopic studies of single live cells, we have demonstrated that high quality infrared spectra of single live cells using an ordinary Globar source can also be obtained by adding a pair of lenses to a common transmission liquid cell. The lenses, when placed on the transmission cell window, form pseudo hemispheres which removes the refraction of light and hence improve the imaging and spectral quality of the obtained data. This study demonstrates that infrared spectra of single live cells can be obtained without the focus shifting effect at different wavenumbers, caused by the chromatic aberration. Spectra of the single cells have confirmed that the measured spectral region remains in focus across the whole range, while spectra of the single cells measured without the lenses have shown some erroneous features as a result of the shift of focus. It has also been demonstrated that the addition of lenses can be applied to the imaging of cells in microfabricated devices. We have shown that it was not possible to obtain a focused image of an isolated cell in a droplet of DPBS in oil unless the lenses are applied. The use of the approach described herein allows for well focused images of single cells in DPBS droplets to be obtained.

Organic and inorganic content of fluorotic rat incisors measured by FTIR spectroscopy

Science.gov (United States)

Porto, Isabel Maria; Saiani, Regina Aparecida; Chan, K. L. Andrew; Kazarian, Sergei G.; Gerlach, Raquel Fernanda; Bachmann, Luciano

2010-09-01

Details on how fluoride interferes in enamel mineralization are still controversial. Therefore, this study aimed at analyzing the organic contents of fluorosis-affected teeth using Fourier Transformation Infrared spectroscopy. To this end, 10 male Wistar rats were divided into two groups: one received 45 ppm fluoride in distilled water for 60 days; the other received distilled water only. Then, the lower incisors were removed and prepared for analysis by two FTIR techniques namely, transmission and micro-ATR. For the first technique, the enamel was powdered, whereas in the second case one fluorotic incisor was cut longitudinally for micro-ATR. Using transmission and powdered samples, FTIR showed a higher C-H content in the fluorotic enamel compared with control enamel ( p amelogenesis. Further studies along this line may definitely answer some questions regarding protein content in fluorotic enamel as well as their origin.

Characterization of Soil Organic Matter in Peat Soil with Different Humification Levels using FTIR

Science.gov (United States)

Teong, I. T.; Felix, N. L. L.; Mohd, S.; Sulaeman, A.

2016-07-01

Peat soil is defined as an accumulation of the debris and vegetative under the water logging condition. Soil organic matter of peat soil was affected by the environmental, weather, types of vegetative. Peat soil was normally classified based on its level of humification. Humification can be defined as the transformation of numerous group of substances (proteins, carbohydrates, lipids, etc.) and individual molecules present in living organic matter into group of substances with similar properties (humic substances). During the peat transformation process, content of soil organic matter also will change. Hence, that is important to determine out the types of the organic compound. FTIR (Fourier Transform Infrared) is a machine which is used to differential soil organic matter by using infrared. Infrared is a types of low energy which can determine the organic minerals. Hence, FTIR can be suitable as an indicator on its level of humification. The main objective of this study is to identify an optimized method to characterization of the soil organic content in different level of humification. The case study areas which had been chosen for this study are Parit Sulong, Batu Pahat and UCTS, Sibu. Peat soil samples were taken by every 0.5 m depth until it reached the clay layer. However, the soil organic matter in different humification levels is not significant. FTIR is an indicator which is used to determine the types of soil, but it is unable to differentiate the soil organic matter in peat soil FTIR can determine different types of the soil based on different wave length. Generally, soil organic matter was found that it is not significant to the level of humification.

A novel betaine type asphalt emulsifier synthesized and investigated by online FTIR spectrophotometric method

Directory of Open Access Journals (Sweden)

Shi Laishun

2015-01-01

Full Text Available A novel betaine type asphalt emulsifier 3-(N,N,N-dimethyl acetoxy ammonium chloride-2-hydroxypropyl laurate was synthesized after three steps by the reaction of lauric acid, epichlorohydrin, dimethylamine and sodium chloroacetate. The optimum reaction conditions were obtained for the synthesis of the first step of 3-chloro-2-hydroxypropyl laurate. The esterification yield reaches 97.1% at the optimum conditions of reaction temperature 80ºC, reaction time 6 h, feedstock mole ratio of epichlorohydrin to lauric acid 1.5, mass ratio of catalyst to lauric acid 2%. The chemical structure of the product was characterized by FTIR and 1H NMR. The first synthesis step of 3-chloro-2-hydroxypropyl laurate was monitored by online FTIR technique. The by-product was detected by the online FTIR analysis. Based upon the experimental data, a plausible reaction mechanism was proposed for the reaction. The CMC of the objective product has a lower value of 7.4×10-4 mol/L. The surface tension at CMC is 30.85 mN/m. The emulsifier is a rapid-set asphalt emulsifier.

Radionuclide scanning

International Nuclear Information System (INIS)

Shapiro, B.

1986-01-01

Radionuclide scanning is the production of images of normal and diseased tissues and organs by means of the gamma-ray emissions from radiopharmaceutical agents having specific distributions in the body. The gamma rays are detected at the body surface by a variety of instruments that convert the invisible rays into visible patterns representing the distribution of the radionuclide in the body. The patterns, or images, obtained can be interpreted to provide or to aid diagnoses, to follow the course of disease, and to monitor the management of various illnesses. Scanning is a sensitive technique, but its specificity may be low when interpreted alone. To be used most successfully, radionuclide scanning must be interpreted in conjunction with other techniques, such as bone radiographs with bone scans, chest radiographs with lung scans, and ultrasonic studies with thyroid scans. Interpretation is also enhanced by providing pertinent clinical information because the distribution of radiopharmaceutical agents can be altered by drugs and by various procedures besides physiologic and pathologic conditions. Discussion of the patient with the radionuclide scanning specialist prior to the study and review of the results with that specialist after the study are beneficial

Identification of carbonates as additives in pressure-sensitive adhesive tape substrate with Fourier transform infrared spectroscopy (FTIR) and its application in three explosive cases.

Science.gov (United States)

Lv, Jungang; Feng, Jimin; Zhang, Wen; Shi, Rongguang; Liu, Yong; Wang, Zhaohong; Zhao, Meng

2013-01-01

Pressure-sensitive tape is often used to bind explosive devices. It can become important trace evidence in many cases. Three types of calcium carbonate (heavy, light, and active CaCO(3)), which were widely used as additives in pressure-sensitive tape substrate, were analyzed with Fourier transform infrared spectroscopy (FTIR) in this study. A Spectrum GX 2000 system with a diamond anvil cell and a deuterated triglycine sulfate detector was employed for IR observation. Background was subtracted for every measurement, and triplicate tests were performed. Differences in positions of main peaks and the corresponding functional groups were investigated. Heavy CaCO(3) could be identified from the two absorptions near 873 and 855/cm, while light CaCO(3) only has one peak near 873/cm because of the low content of aragonite. Active CaCO(3) could be identified from the absorptions in the 2800-2900/cm region because of the existence of organic compounds. Tiny but indicative changes in the 878-853/cm region were found in the spectra of CaCO(3) with different content of aragonite and calcite. CaCO(3) in pressure-sensitive tape, which cannot be differentiated by scanning electron microscope/energy dispersive X-ray spectrometer and thermal analysis, can be easily identified using FTIR. The findings were successfully applied to three specific explosive cases and would be helpful in finding the possible source of explosive devices in future cases. © 2012 American Academy of Forensic Sciences.

Qualitative and kinetic analysis of torrefaction of lignocellulosic biomass using DSC-TGA-FTIR

Directory of Open Access Journals (Sweden)

Bimal Acharya

2015-11-01

Full Text Available Torrefaction is a thermochemical conversion technique to improve the fuel properties of lignocellulosic biomass by treating at temperature 200 ℃-300 ℃ in the minimum oxygen environment for a reasonable residence time. In this study, thermal decomposition and thermal activities of miscanthus and wheat straw during the torrefaction at 200 ℃, 275 ℃, and 300 ℃ in a nitrogen environment for 45 minutes of residence time are analyzed in a simultaneous thermogravimetric analyzer (micro TGA with a differential scanning calorimetry (DSC, and a macro-TGA. The output of the micro TGA is fed into the Fourier transform infrared spectrometry (FTIR and qualitative analysis of the gaseous product is carried out. The composition of different gas products during the torrefaction of biomass are compared critically and kinetics were analyzed. It is found that the weight loss due to degradation of initial biomass in second stage (torrefaction process is a much faster conversion process than the weight loss process in the first stage (drying process. The weight loss of biomass increases with increase in the residence time and torrefaction treatment temperatures. The yield after torrefaction is a solid bio-coal product. The torrefied product were less reactive and has nearly 25% better heating value than the raw biomass. Between the two feedstocks studied, torrefied miscanthus proved to be a more stable fuel than the torrefied wheat straw. The major gaseous components observed during torrefaction are water, carbon dioxide, carbon monoxide, 1,2-Dibromethylene.

Silk I and Silk II studied by fast scanning calorimetry

Energy Technology Data Exchange (ETDEWEB)

Cebe, Peggy; Partlow, Benjamin P.; Kaplan, David L.; Wurm, Andreas; Zhuravlev, Evgeny; Schick, Christoph

2017-06-01

Using fast scanning calorimetry (FSC), we investigated the glass transition and crystal melting of samples of B. mori silk fibroin containing Silk I and/or Silk II crystals. Due to the very short residence times at high temperatures during such measurements, thermal decomposition of silk protein can be significantly suppressed. FSC was performed at 2000 K/s using the Mettler Flash DSC1 on fibroin films with masses around 130–270 ng. Films were prepared with different crystalline fractions (ranging from 0.26 to 0.50) and with different crystal structures (Silk I, Silk II, or mixed) by varying the processing conditions. These included water annealing at different temperatures, exposure to 50% MeOH in water, or autoclaving. The resulting crystal structure was examined using wide angle X-ray scattering. Degree of crystallinity was evaluated from Fourier transform infrared (FTIR) spectroscopy and from analysis of the heat capacity increment at the glass transition temperature. Silk fibroin films prepared by water annealing at 25 °C were the least crystalline and had Silk I structure. FTIR and FSC studies showed that films prepared by autoclaving or 50% MeOH exposure were the most crystalline and had Silk II structure. Intermediate crystalline fraction and mixed Silk I/Silk II structures were found in films prepared by water annealing at 37 °C. FSC results indicate that Silk II crystals exhibit endotherms of narrower width and have higher mean melting temperature Tm(II) = 351 ± 2.6 °C, compared to Silk I crystals which melt at Tm(I) = 292 ± 3.8 °C. Films containing mixed Silk I/Silk II structure showed two clearly separated endothermic peaks. Evidence suggests that the two types of crystals melt separately and do not thermally interconvert on the extremely short time scale (0.065 s between onset and end of melting) of the FSC experiment.

Assessment of the Inhibitory Effect of Rifampicin on Amyloid Formation of Hen Egg White Lysozyme: Thioflavin T Fluorescence Assay versus FTIR Difference Spectroscopy

Directory of Open Access Journals (Sweden)

Gang Ma

2014-01-01

Full Text Available The inhibitory effect of rifampicin on the amyloid formation of hen egg white lysozyme was assessed with both Thioflavin T (ThT fluorescence assay and Fourier transform infrared (FTIR difference spectroscopy. We reveal that ThT fluorescence assay gives a false positive result due to rifampicin interference, while FTIR difference spectroscopy provides a reliable assessment. With FTIR, we show that rifampicin only has marginally inhibitory effect. We then propose that FTIR difference spectroscopy can potentially be a convenient method for inhibitor screening in amyloid study.

Fourier Transform Infrared (FTIR Spectroscopy with Chemometric Techniques for the Classification of Ballpoint Pen Inks

Directory of Open Access Journals (Sweden)

Muhammad Naeim Mohamad Asri

2015-12-01

Full Text Available FTIR spectroscopic techniques have been shown to possess good abilities to analyse ballpoint pen inks. These in-situ techniques involve directing light onto ballpoint ink samples to generate an FTIR spectrum, providing “molecular fingerprints” of the ink samples thus allowing comparison by direct visual comparison. In this study, ink from blue (n=15 and red (n=15 ballpoint pens of five different brands: Kilometrico®, G-Soft®, Stabilo®, Pilot® and Faber Castell® was analysed using the FTIR technique with the objective of establishing a distinctive differentiation according to the brand. The resulting spectra were first compared and grouped manually. Due to the similarities in terms of colour and shade of the inks, distinctive differentiation could not be achieved by means of direct visual comparison. However, when the same spectral data was analysed by Principal Component Analysis (PCA software, distinctive grouping of the ballpoint pen inks was achieved. Our results demonstrate that PCA can be used objectively to investigate ballpoint pen inks of similar colour and more importantly of different brands.

Monitoring the Evolution of Major Chemical Compound in Dairy Products During Shelf-Life by FTIR

Directory of Open Access Journals (Sweden)

Adriana Păucean

2014-11-01

Full Text Available Fourier-transform infrared (FTIR spectroscopy is considered to be a comprehensive and sensitive method to characterize the chemical composition and for detection of molecular changes in different samples. In this study, FTIRspectroscopy  was employed as an rapid and low-cost technique in order to characterize the FTIR spectra and identify appropriate spectral regions for dairy product fermented by a lactic culture consisting by species of Lactococcus lactis and Leuconostoc mesenteroides. A second objective was to monitore the key chemical compounds (lactose, lactic acid, flavors during fermentation and refrigerated storage (1-21 days, at 4-6°C. By FT-IR fingerprint during fermentation we identified changes of the spectra pattern with specific increasing or decreasing peaks for lactose, lactic acid, esters, aromatic compounds, aminoacids, fatty acids. Also the technique was able to identify chemical compounds involved in the microbial activity such as phosphates and phosphorylated carbohydrates during fermentation and dairy product shelf-life. All the major chemical compounds recorded significant increaments during fermentation and refrigerated storage comparing with the raw milk.

Multi-Gas analysis of ambient air using FTIR spectroscopy over Mexico City

Energy Technology Data Exchange (ETDEWEB)

Grutter, Michel [Centro de Ciencias de la Atmosfera, Universidad Nacional Autonoma de Mexico (UNAM), Mexico, D.F. (Mexico)

2003-01-01

A Fourier Transform Infrared (FTIR) spectrometer was used to analyze the composition of ambient air at a specific site in Mexico City metropolitan area. A continuous flow of air was passed through a multi-pass cell and the absorption spectra were collected over a period of two weeks. Quantitative analysis was performed by means of the classical-least square (CLS) method using synthetically generated spectra as references and calibration sources. Ambient levels of CO, CO{sup 2}, CH{sub 4} and N{sub 2}O are reported with a time resolution of five minutes for September 2001, showing interesting results in their diurnal patterns. Comments on the precision, detection limits and signal to noise of the instrument are included for the evaluation of this technique. Water concentrations were estimated and compared with those obtained with a relative humidity sensor. The technique of extractive FTIR for ambient trace gas monitoring was utilized in Mexico for the fist time and some potential applications are given. [Spanish] Se utilizo un espectrometro en el infrarrojo por transformadas de Fourier (FTIR) para analizar la composicion de aire ambiente en un sitio de la zona metropolitana de la Ciudad de Mexico. Para ello se introdujo un flujo constante de aire a una celda de gases de paso multiple y se colectaron los espectros durante un periodo de dos semanas. Para el analisis cuantitativo, se aplico el metodo clasico de minimos cuadrados (CLS) utilizando espectros sinteticos como referencias y fuentes de calibracion. Se observaron patrones interesantes en los niveles ambientales de CO, CO{sup 2}, CH{sub 4} y N{sub 2}O, los cuales son reportados con una resolucion temporal de cinco minutos para el mes de septiembre del 2001. En la evaluacion de esta tecnica se incluyen comentarios sobre la precision, los limites de deteccion, asi como de la relacion senal/ruido del instrumento. Se estimaron concentraciones de vapor de agua a traves de sus absorciones en el infrarrojo y se

FTIR gas analysis with improved sensitivity and selectivity for CWA and TIC detection

Science.gov (United States)

Phillips, Charles M.; Tan, Huwei

2010-04-01

This presentation describes the use of an FTIR (Fourier Transform Infrared)-based spectrometer designed to continuously monitor ambient air for the presence of chemical warfare agents (CWAs) and toxic industrial chemicals (TICs). The necessity of a reliable system capable of quickly and accurately detecting very low levels of CWAs and TICs while simultaneously retaining a negligible false alarm rate will be explored. Technological advancements in FTIR sensing have reduced noise while increasing selectivity and speed of detection. These novel analyzer design characteristics are discussed in detail and descriptions are provided which show how optical throughput, gas cell form factor, and detector response are optimized. The hardware and algorithms described here will explain why this FTIR system is very effective for the simultaneous detection and speciation of a wide variety of toxic compounds at ppb concentrations. Analytical test data will be reviewed demonstrating the system's sensitivity to and selectivity for specific CWAs and TICs; this will include recent data acquired as part of the DHS ARFCAM (Autonomous Rapid Facility Chemical Agent Monitor) project. These results include analyses of the data from live agent testing for the determination of CWA detection limits, immunity to interferences, detection times, residual noise analysis and false alarm rates. Sensing systems such as this are critical for effective chemical hazard identification which is directly relevant to the CBRNE community.

Measurement of conjugated linoleic acid (CLA) in CLA-rich soy oil by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR).

Science.gov (United States)

Kadamne, Jeta V; Jain, Vishal P; Saleh, Mohammed; Proctor, Andrew

2009-11-25

Conjugated linoleic acid (CLA) isomers in oils are currently measured as fatty acid methyl esters by a gas chromatography-flame ionization detector (GC-FID) technique, which requires approximately 2 h to complete the analysis. Hence, we aim to develop a method to rapidly determine CLA isomers in CLA-rich soy oil. Soy oil with 0.38-25.11% total CLA was obtained by photo-isomerization of 96 soy oil samples for 24 h. A sample was withdrawn at 30 min intervals with repeated processing using a second batch of oil. Six replicates of GC-FID fatty acid analysis were conducted for each oil sample. The oil samples were scanned using attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and the spectrum was collected. Calibration models were developed using partial least-squares (PLS-1) regression using Unscrambler software. Models were validated using a full cross-validation technique and tested using samples that were not included in the calibration sample set. Measured and predicted total CLA, trans,trans CLA isomers, total mono trans CLA isomers, trans-10,cis-12 CLA, trans-9,cis-11 CLA and cis-10,trans-12 CLA, and cis-9,trans-11 CLA had cross-validated coefficients of determinations (R2v) of 0.97, 0.98, 0.97, 0.98, 0.97, and 0.99 and corresponding root-mean-square error of validation (RMSEV) of 1.14, 0.69, 0.27, 0.07, 0.14, and 0.07% CLA, respectively. The ATR-FTIR technique is a rapid and less expensive method for determining CLA isomers in linoleic acid photo-isomerized soy oil than GC-FID.

FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin

Science.gov (United States)

Arjunan, V.; Sakiladevi, S.; Marchewka, M. K.; Mohan, S.

2013-05-01

3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm-1, respectively. 1H and 13C NMR spectra have also been recorded. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the experimental FTIR and FT-Raman data and quantum mechanical studies. The experimental vibrational frequencies were compared with the wavenumbers obtained theoretically from the DFT-B3LYP/B3PW91 gradient calculations employing the standard 6-31G**, high level 6-311++G** and cc-pVTZ basis sets for optimised geometry of the compound. The frontier molecular orbital energies of the compound are determined by DFT method.

Interpretation FTIR spectrum of seawater and sediment in the Ambon Bay (TAD)

Science.gov (United States)

Patty, Diana Julaidy; Loupatty, Grace; Sopalauw, Fitria

2017-01-01

Research has done to interpretated FTIR spectrum of seawaters and sediment of the Ambon Bay (TAD). Analysis of samples of sediment and seawater using FTIR spectroscopy. The results showed the sand sediment samples identified Stretch bond OH group (3600-3500 cm-1), N-H Stretch (3400-3300 cm-1), C≡N (2250 cm-1), and NH bending (1640 to 1550 cm-1). And for seawater samples identified bonding group that is N-H Stretch (3400-3350 cm-1), N-H bending (1640 to 1550 cm-1) and C=O (1670-1640 cm-1). The existence of functional groups, carbonyl (C=O), alcohol (OH), carboxyl (COOH) can cause the complexation of metal cations. And the results showed analysis group N-O bond-containing compounds Nitro indicate heavy metal content of Lead (Pb) and group N-H bond-containing compound Amina indicate heavy metal content of Cadmium (Cd).

Developing of FTIR- and new probe technique for combustion gas analysis; Utveckling av FTIR- och sondteknik foer gasanalys i foerbraenningsrum

Energy Technology Data Exchange (ETDEWEB)

Johansson, Annika; Andersson, Christer [Vattenfall Utveckling AB, Stockholm (Sweden); Thulin, C [Swedish National Testing and Research Inst., Boraas (Sweden); Karlsson, Maria; Aamand, L E [Chalmers Univ. of Technology, Goeteborg (Sweden)

1996-08-01

The objective of the reported project has been to develop and field test a versatile measurement system for combustion gases based on the FTIR technique. The project has included the following stages: Development of gas sampling methods, Further development of the FTIR technique, Field testing of the measurement system. The development of evaluation routines based on CLS and PLS methods has lead to the conclusion that both methods are well suited for the application in question, which enables an automation of the evaluation procedure. However, the elaboration of versatile and quality controlled methods is time consuming and the application requires a qualified user. With the dilution probe prototype, a satisfactory rejection of particles is achieved at the same time as a good mixing of the dilution gas and the sample gas takes place. Sampling is performed without using a filter at the probe tip. The intended function of the probe requires that most particles can be rejected without giving rise to a too high dilution ratio. This was achieved in the middle and upper part of the CFB boiler. Comparisons of measurement data from field measurements with the developed probe concept and the `conventional` CTH extractive probe show that the results are in good agreement in many cases, but also that interesting discrepancies exist. Sampling artefacts have been noticed for the gases HCN and SO{sub 2}, where HCN and SO{sub 2} are found in higher concentrations when sampling with the dilution probe. Analyzed concentrations of CO and hydrocarbons (methane, ethene and acetylene) are throughout all the measurements lower when the dilution probe is used. 21 refs, 34 figs, 29 tabs

The classification of lung cancers and their degree of malignancy by FTIR, PCA-LDA analysis, and a physics-based computational model.

Science.gov (United States)

Kaznowska, E; Depciuch, J; Łach, K; Kołodziej, M; Koziorowska, A; Vongsvivut, J; Zawlik, I; Cholewa, M; Cebulski, J

2018-08-15

Lung cancer has the highest mortality rate of all malignant tumours. The current effects of cancer treatment, as well as its diagnostics, are unsatisfactory. Therefore it is very important to introduce modern diagnostic tools, which will allow for rapid classification of lung cancers and their degree of malignancy. For this purpose, the authors propose the use of Fourier Transform InfraRed (FTIR) spectroscopy combined with Principal Component Analysis-Linear Discriminant Analysis (PCA-LDA) and a physics-based computational model. The results obtained for lung cancer tissues, adenocarcinoma and squamous cell carcinoma FTIR spectra, show a shift in wavenumbers compared to control tissue FTIR spectra. Furthermore, in the FTIR spectra of adenocarcinoma there are no peaks corresponding to glutamate or phospholipid functional groups. Moreover, in the case of G2 and G3 malignancy of adenocarcinoma lung cancer, the absence of an OH groups peak was noticed. Thus, it seems that FTIR spectroscopy is a valuable tool to classify lung cancer and to determine the degree of its malignancy. Copyright © 2018 Elsevier B.V. All rights reserved.

Heavy fuel oil pyrolysis and combustion: kinetics and evolved gases investigated by TGA-FTIR

KAUST Repository

Abdul Jameel, Abdul Gani

2017-08-24

Heavy fuel oil (HFO) obtained from crude oil distillation is a widely used fuel in marine engines and power generation technologies. In the present study, the pyrolysis and combustion of a Saudi Arabian HFO in nitrogen and in air, respectively, were investigated using non-isothermal thermo-gravimetric analysis (TGA) coupled with a Fourier-transform infrared (FTIR) spectrometer. TG and DTG (differential thermo-gravimetry) were used for the kinetic analysis and to study the mass loss characteristics due to the thermal degradation of HFO at temperatures up to 1000°C and at various heating rates of 5, 10 and 20°C/min, in air and N2 atmospheres. FTIR analysis was then performed to study the composition of the evolved gases. The TG/DTG curves during HFO combustion show the presence of three distinct stages: the low temperature oxidation (LTO); fuel decomposition (FD); and high temperature oxidation (HTO) stages. The TG/DTG curves obtained during HFO pyrolysis show the presence of two devolatilization stages similar to that seen in the LTO stage of HFO combustion. Apart from this, the TG/DTG curves obtained during HFO combustion and pyrolysis differ significantly. Kinetic analysis was also performed using the distributed activation energy model, and the kinetic parameter (E) was determined for the different stages of HFO combustion and pyrolysis processes, yielding a good agreement with the measured TG profiles. FTIR analysis showed the signal of CO2 as approximately 50 times more compared to the other pollutant gases under combustion conditions. Under pyrolytic conditions, the signal intensity of alkane functional groups was the highest followed by alkenes. The TGA-FTIR results provide new insights into the overall HFO combustion processes, which can be used to improve combustor designs and control emissions.

Fluorescence, aggregation properties and FT-IR microspectroscopy of elastin and collagen fibers.

Science.gov (United States)

Vidal, Benedicto de Campos

2014-10-01

Histological and histochemical observations support the hypothesis that collagen fibers can link to elastic fibers. However, the resulting organization of elastin and collagen type complexes and differences between these materials in terms of macromolecular orientation and frequencies of their chemical vibrational groups have not yet been solved. This study aimed to investigate the macromolecular organization of pure elastin, collagen type I and elastin-collagen complexes using polarized light DIC-microscopy. Additionally, differences and similarities between pure elastin and collagen bundles (CB) were investigated by Fourier transform-infrared (FT-IR) microspectroscopy. Although elastin exhibited a faint birefringence, the elastin-collagen complex aggregates formed in solution exhibited a deep birefringence and formation of an ordered-supramolecular complex typical of collagen chiral structure. The FT-IR study revealed elastin and CB peptide NH groups involved in different types of H-bonding. More energy is absorbed in the vibrational transitions corresponding to CH, CH2 and CH3 groups (probably associated with the hydrophobicity demonstrated by 8-anilino-1-naphtalene sulfonic acid sodium salt [ANS] fluorescence), and to νCN, δNH and ωCH2 groups of elastin compared to CB. It is assumed that the α-helix contribution to the pure elastin amide I profile is 46.8%, whereas that of the B-sheet is 20% and that unordered structures contribute to the remaining percentage. An FT-IR profile library reveals that the elastin signature within the 1360-1189cm(-1) spectral range resembles that of Conex-Toray aramid fibers. Copyright © 2014 Elsevier GmbH. All rights reserved.

Application of FTIR Spectrometry Using Multivariate Analysis For Prediction Fuel in Engine Oil

Directory of Open Access Journals (Sweden)

Marie Sejkorová

2017-01-01

Full Text Available This work presents the potentiality of partial least squares (PLS regression associated with Fourier transform infrared spectroscopy (FTIR spectrometry for detecting penetration of diesel fuel into the mineral engine oil SAE 15W‑40 in the concentration range from 0 % to 9.5 % (w/w. As a best practice has proven FTIR‑PLS model, which uses the data file in the spectral range 835 – 688 cm−1.The quality of the model was evaluated using the root mean square error of calibration (RMSEC and cross validation (RMSECV. A correlation coefficient R = 0.999 and values of RMSEC, RMSECV were obtained 0.11 % and 0.38 % respectively. After the calibration of the FTIR spectrometer, the contamination engine oil with diesel fuel could be obtained in 1 – 2 min per sample.

An Investigation of Consolidants Penetration in Wood. Part 2: FTIR Spectroscopy

Directory of Open Access Journals (Sweden)

Maria Cristina TIMAR

2011-03-01

Full Text Available FTIR spectroscopy was used in this work for studying the penetration of some consolidants frequentlyused in old wood conservation into test pieces of sound spruce wood (Picea abies wood. Thin microsections(30-60 μm of control and treated wood were analysed in reflectance mode using an ATR system. Theconsolidation products investigated were Paraloid B72, bee wax, a mixture of bee wax / linseed oil and twotypes of paraffins. These products presented FTIR spectra with characteristic common and specific bands,allowing their identification in the treated wood with no impediments coming from their colour, transparencyor the percent of cell lumena filling. The treatment of wood with these products brought about alterations ofthe spectra aspect by the appearance or intensification of some characteristic bands and the modification ofthe ratio between the areas of some characteristic absorption bands so that a qualitative and semiquantitativeevaluation of the presence and penetration depth and distribution of these consolidationproducts in wood was possible, proving the adopted method as valuable and useful for further research inthis field.

Use of an Open-path FTIR sensor to measure VOCs at the Hanford Site

International Nuclear Information System (INIS)

Kagann, R.H.; Fancher, J.D.; Tomich, S.D.

1994-01-01

An Open-path Fourier Transform Infrared (OP-FTIR) instrument was used to measure carbo tetrachloride vapor emitted from contaminated soil and monitoring wells in the 200 West Area of the Hanford Site in southeastern Washington State (see Figure 1). Historical activities at US Department of Energy (DOE) facilities around the United States during World War II, including development of a nuclear deterrent, resulted in the discharge of chemical and radioactive materials to the environment. Beginning in 1955, carbon tetrachloride and other liquid wastes were released to the subsurface along with cocontaminants to three liquid waste disposal facilities. The DOE has now focused a major technical effort on the mitigation of the effects of those discharges through an environmental restoration program. The OP-FTIR was used over the soil surface near the 216-Z-9 Trench (one of the disposal facilities) in the 200 West Area. The Hanford demonstration of the OP-FTIR was conducted as part of the Volatile Organic Compound-Arid Integrated Demonstration (VOC-Arid ID), which is funded by the US Department of Energy, Office of Technology Development. The mission of the VOC-Arid ID is to identify, develop, and demonstrate new and innovative technologies to support environmental restoration

Effect of annealing temperature on optical properties of binary zinc tin oxide nano-composite prepared by sol-gel route using simple precursors: structural and optical studies by DRS, FT-IR, XRD, FESEM investigations.

Science.gov (United States)

Habibi, Mohammad Hossein; Mardani, Maryam

2015-02-25

Binary zinc tin oxide nano-composite was synthesized by a facile sol-gel method using simple precursors from the solutions consisting of zinc acetate, tin(IV) chloride and ethanol. Effect of annealing temperature on optical and structural properties was investigated using X-ray diffraction (XRD), diffuse reflectance spectra (DRS), field emission scanning electron microscopy (FESEM) and Fourier transform infrared spectroscopy (FTIR). XRD results revealed the existence of the ZnO and SnO2 phases. FESEM results showed that binary zinc tin oxide nano-composites ranges from 56 to 60 nm in diameter at 400°C and 500°C annealing temperatures respectively. The optical band gap was increased from 2.72 eV to 3.11 eV with the increasing of the annealing temperature. FTIR results confirmed the presence of zinc oxide and tin oxide and the broad absorption peaks at 3426 and 1602 cm(-1) can be ascribed to the vibration of absorptive water, and the absorption peaks at 546, 1038 and 1410 cm(-1) are due to the vibration of Zn-O or Sn-O groups in binary zinc tin oxide. Copyright © 2014 Elsevier B.V. All rights reserved.

Is it possible to find presence of lactose in pharmaceuticals? - Preliminary studies by ATR-FTIR spectroscopy and chemometrics

Science.gov (United States)

Banas, A.; Banas, K.; Kalaiselvi, S. M. P.; Pawlicki, B.; Kwiatek, W. M.; Breese, M. B. H.

2017-01-01

Lactose and saccharose have the same molecular formula; however, the arrangement of their atoms is different. A major difference between lactose and saccharose with regard to digestion and processing is that it is not uncommon for individuals to be lactose intolerant (around two thirds of the population has a limited ability to digest lactose after infancy), but it is rather unlikely to be saccharose intolerant. The pharmaceutical industry uses lactose and saccharose as inactive ingredients of drugs to help form tablets because of their excellent compressibility properties. Some patients with severe lactose intolerance may experience symptoms of many allergic reactions after taking medicine that contains this substance. People who are specifically "allergic" to lactose (not just lactose intolerant) should not use tablets containing this ingredient. Fourier Transform Infrared (FTIR) spectroscopy has a unique chemical fingerprinting capability and plays a significant important role in the identification and characterization of analyzed samples and hence has been widely used in pharmaceutical science. However, a typical FTIR spectrum collected from tablets contains a myriad of valuable information hidden in a family of tiny peaks. Powerful multivariate spectral data processing can transform FTIR spectroscopy into an ideal tool for high volume, rapid screening and characterization of even minor tablet components. In this paper a method for distinction between FTIR spectra collected for tablets with or without lactose is presented. The results seem to indicate that the success of identifying one component in FTIR spectra collected for pharmaceutical composition (that is tablet) is largely dependent on the choice of the chemometric technique applied.

Quantitative analysis of Sudan dye adulteration in paprika powder using FTIR spectroscopy

Science.gov (United States)

The presence of Sudan dye used illegally for coloring in food stuffs has become a point of food safety concern, especially in paprika- and chili-containing food products. Fourier transform infrared (FTIR) spectroscopy has been extensively used as an analytical method for quality control and safety m...

FT-IR and X-ray spectroscopic investigations of Na-diclofenac-cyclodextrins interactions

Science.gov (United States)

Bratu, I.; Astilean, S.; Ionesc, Corina; Indrea, E.; Huvenne, J. P.; Legrand, P.

1998-01-01

The association of DCF-Na (the salt of the 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid) with β-CD (cyclodextrin) in some therapeutic formulas can contribute to the optimisation of the physico-chemical and pharmaceutical properties of the parent drug. The understanding of the interaction between DCF with β-CD represents the objective of this study. FT-IR spectroscopy is one of the methods which clarify the nature of these interactions in complexes of such type. Therefore the changes in FT-IR spectra of binary dispersed systems DCF/ β-CD in physical mixture and coprecipitate from methanol (molar ratios: 1/1, 1/2, 2/3, 3/4, 7/4) were analysed. The analysis of the broadening of the X-ray powder diffraction line has been applied to investigate the average effective crystallite size, the mean square of the microstrain caused by distortions within β-CD crystallite and the fault probability in the binary dispersed DCF/ β-CD coprecipitate system.

Biosorption of malachite green onto Haematococcus pluvialis observed through synchrotron-FTIR microspectroscopy.

Science.gov (United States)

Liu, J H; Zhang, L; Zha, D C; Chen, L Q; Chen, X X; Qi, Z M

2018-06-28

Microalgae have emerged as promising biosorbents for the treatment of malachite green in wastewater. However, the underlying mechanism for the biosorption of malachite green onto microalgae is still unclear and needs further intensive study. In this work, synchrotron Fourier-transform infrared (synchrotron-FTIR) microspectroscoy in combination with biochemical assay is employed to evaluate malachite green removal efficiency (95.2%, 75.6% and 66.5%) by three stages of Haematococcus pluvialis. Meanwhile, the various vital changes of algal cells including lipids, proteins, polysaccharides and carotenoids, is distinguished and quantified in situ. This study illustrates that synchrotron-FTIR microspectroscopy is an effective and powerful tool to scrutinize the mechanism for the interactions between the malachite green dye and microalgal cells and it even provides an effective and none-invasive new approach to screen potentially proper biosorbents for the removal of dyes from wastewater. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Characterization of mannitol in Curvularia protuberata hyphae by FTIR and Raman spectromicroscopy.

Science.gov (United States)

Isenor, Merrill; Kaminskyj, Susan G W; Rodriguez, Russell J; Redman, Regina S; Gough, Kathleen M

2010-12-01

FTIR and Raman spectromicroscopy were used to characterize the composition of Curvularia protuberata hyphae, and to compare a strain isolated from plants inhabiting geothermal soils with a non-geothermal isolate. Thermal IR source images of hyphae have been acquired with a 64 × 64 element focal plane array detector; single point IR spectra have been obtained with synchrotron source light. In some C. protuberata hyphae, we have discovered the spectral signature of crystalline mannitol, a fungal polyol with complex protective roles. With FTIR-FPA imaging, we have determined that the protein content in cells remains fairly constant throughout the length of a hypha, whereas the mannitol is found at discrete, irregular locations. This is the first direct observation of mannitol in intact fungal hyphae. Since the concentration of mannitol in cells varies with respect to position and is not present in all hyphae, this discovery may be related to habitat adaptation, fungal structure and growth stages.

FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin.

Science.gov (United States)

Arjunan, V; Sakiladevi, S; Marchewka, M K; Mohan, S

2013-05-15

3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. (1)H and (13)C NMR spectra have also been recorded. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the experimental FTIR and FT-Raman data and quantum mechanical studies. The experimental vibrational frequencies were compared with the wavenumbers obtained theoretically from the DFT-B3LYP/B3PW91 gradient calculations employing the standard 6-31G(**), high level 6-311++G(**) and cc-pVTZ basis sets for optimised geometry of the compound. The frontier molecular orbital energies of the compound are determined by DFT method. Copyright © 2013 Elsevier B.V. All rights reserved.

Interaction of procyanidin B-3 with membrane lipids Fluorescence, DSC and FTIR studies

Czech Academy of Sciences Publication Activity Database

Cyboran-Mikolajczyk, S.; Zylka, R.; Jurkiewicz, Piotr; Pruchnik, H.; Oszmianski, J.; Hof, M.; Kleszczynska, H.

2017-01-01

Roč. 1859, č. 8 (2017), s. 1362-1371 ISSN 0005-2736 Institutional support: RVO:61388955 Keywords : FTIR * Fluidity * Hydration * dmpc Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.498, year: 2016

Chemical composition and surfactant characteristics of marine foams investigated by means of UV-vis, FTIR and FTNIR spectroscopy.

Science.gov (United States)

Mecozzi, Mauro; Pietroletti, Marco

2016-11-01

In this study, we collected the ultraviolet-visible (UV-vis), Fourier transform infrared (FTIR) and Fourier transform near-infrared (FTNIR) spectra of marine foams from different sites and foams produced by marine living organisms (i.e. algae and molluscs) to retrieve information about their molecular and structural composition. UV-vis spectra gave information concerning the lipid and pigment contents of foams. FTIR spectroscopy gave a more detailed qualitative information regarding carbohydrates, lipids and proteins in addition with information about the mineral contents of foams. FTNIR spectra confirmed the presence of carbohydrates, lipids and proteins in foams. Then, due to the higher content of structural information of FTIR spectroscopy with respect to FTNIR and UV-vis, we join the FTIR spectra of marine foams to those of humic substance from marine sediments and to the spectra of foams obtained by living organisms. We submitted this resulting FTIR spectral dataset to statistical multivariate methods to investigate specific aspects of foams such as structural similarity among foams and in addition, contributions from the organic matter of living organisms. Cluster analysis (CA) evidenced several cases (i.e. clusters) of marine foams having high structural similarity with foams from vegetal and animal samples and with humic substance extracted from sediments. These results suggested that all the living organisms of the marine environment can give contributions to the chemical composition of foams. Moreover, as CA also evidenced cases of structural differences within foam samples, we applied two-dimensional correlation analysis (2DCORR) to the FTIR spectra of marine foams to investigate the molecular characteristics which caused these structural differences. Asynchronous spectra of two-dimensional correlation analysis showed that the structural heterogeneity among foam samples depended reasonably on the presence and on the qualitative difference of

Head CT scan

Science.gov (United States)

... scan - orbits; CT scan - sinuses; Computed tomography - cranial; CAT scan - brain ... head size in children Changes in thinking or behavior Fainting Headache, when you have certain other signs ...

3D FT-IR imaging spectroscopy of phase-separation in a poly(3-hydroxybutyrate)/poly(L-lactic acid) blend

Science.gov (United States)

Miriam Unger; Julia Sedlmair; Heinz W. Siesler; Carol Hirschmugl; Barbara Illman

2014-01-01

In the present study, 3D FT-IR spectroscopic imaging measurements were applied to study the phase separation of a poly(3-hydroxybutyrate) (PHB)/poly(L-lactic acid) (PLA) (50:50 wt.%) polymer blend film. While in 2D projection imaging the z-dependent information is overlapped, thereby complicating the analysis, FT-IR spectro-micro-tomography,...

Morphological, chemical and structural characterisation of deciduous enamel: SEM, EDS, XRD, FTIR and XPS analysis.

Science.gov (United States)

Zamudio-Ortega, C M; Contreras-Bulnes, R; Scougall-Vilchis, R J; Morales-Luckie, R A; Olea-Mejía, O F; Rodríguez-Vilchis, L E

2014-09-01

The purpose of this study was to characterise the enamel surface of sound deciduous teeth in terms of morphology, chemical composition, structure and crystalline phases. The enamel of 30 human deciduous teeth was examined by: Scanning Electron Microscopy (SEM), Energy Dispersive X-Ray Spectroscopy (EDS), X-ray Powder Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and X-ray Photoelectron Spectroscopy (XPS). Chemical differences between incisors and canines were statistically evaluated using the Mann-Whitney U test (p ≤ 0.05). Three enamel patterns were observed by SEM: 'mostly smooth with some groves', 'abundant microporosities' and 'exposed prisms'. The average Ca/P molar ratios were 1.37 and 1.03 by EDS and XPS, respectively. The crystallite size determined by XRD was 210.82 ± 16.78 Å. The mean ratio between Ca bonded to phosphate and Ca bonded to hydroxyl was approximately 10:1. The enamel of sound deciduous teeth showed two main patterns: 'mostly smooth with some groves' and 'abundant microporosities'. 'Exposed prisms' was a secondary pattern. There were slight variations among the Ca/P molar ratios found by EDS and XPS, suggesting differences in the mineral content from the enamel surface to the interior. The crystalline phases found in enamel were hydroxyapatite and carbonate apatite, with major type B than type A carbonate incorporation.

Heart PET scan

Science.gov (United States)

... nuclear medicine scan; Heart positron emission tomography; Myocardial PET scan ... A PET scan requires a small amount of radioactive material (tracer). This tracer is given through a vein (IV), ...

Karakteristik Beberapa Jenis Antibiotik Berdasarkan Pola Difraksi Sinar-X (XRD Dan Spektrum FTIR

Directory of Open Access Journals (Sweden)

Mirzan T Razzak

2017-03-01

Full Text Available Telah dilakukan pengukuran karakteristik difraksi sinar-x (XRD terhadap beberapa jenisantibiotik. Penelitian ini bertujuan untuk memahami karakteristik difraksi sinar-x suatuantibiotik sebagai upaya untuk identifikasi antibiotik secara cepat. Dalam penelitian ini diamatikarakteristik difraksi sinar-x dari 15 (lima belas antibiotik yang tersedia di pasaran. SpektrumXRD diukur pada sudut 2 antara 5 – 75 untuk dibandingkan dan dievaluasi mengenai bentukkristalnya. Selanjutnya diukur pula spektrum XRD dari pencampuran antibiotik dengan tepungtapioka. Pengukuran spektrum infrared dengan FTIR juga dilakukan untuk menguji konsistensihasil evaluasi spektrum XRD. Hasil penelitian menunjukkan bahwa amoxicillin dan ampicillinmempunyai struktur kristal yang sama, yaitu orthorombic primitif. Sayangnya baik XRDmaupun FTIR, tidak memberikan nilai kuantitatif pada antibiotik. Oleh sebab itu, perbedaankonsentrasi dengan pencampuran tepung tapioka tidak dapat dideteksi. Walaupun demikian,metode ini terbukti dapat digunakan untuk membedakan komposisi zat penyusun antibiotiksecara cepat dan akurat.

FTIR Analysis of Phenolic Compound as Pancreatic Lipase Inhibitor from Inoculated Aquilaria Malaccensis

International Nuclear Information System (INIS)

Nur Fahana Jamahseri; Miradatul Najwa Mohd Rodhi; Nur Hidayah Zulkarnain; Nursyuhada Che Husain; Ahmad Fakhri Syahmi Masruddin

2014-01-01

This research aimed to discover the potential of inoculated Aquilaria malaccensis extract as a new and safe lipase inhibitor. The phenolic compounds in this plant are expected to promote inhibitory activity towards pancreatic lipase enzyme. Inoculated Aquilaria malaccensis was selected for this research, wherein the parts of this species (bark and leaves) were extracted via hydro distillation process. The extracts of this plant which are hydrosol, oil, and leaves were analyzed for phyto chemical compound via Fourier Transform Infrared Spectroscopy (FTIR). FTIR analysis of the extracts of inoculated Aquilaria malccensis revealed the presence of hydroxyl functional group in both leaves and hydrosol extracts but absence in oil. This validate the presence of phenolic compound in hydrosol and leaves extract. Therefore, the leaves and hydrosol extracts have potential as an anti-obesity agent by inhibiting pancreatic lipase. (author)

Camtracker: a new camera controlled high precision solar tracker system for FTIR-spectrometers

Directory of Open Access Journals (Sweden)

M. Gisi

2011-01-01

Full Text Available A new system to very precisely couple radiation of a moving source into a Fourier Transform Infrared (FTIR Spectrometer is presented. The Camtracker consists of a homemade altazimuthal solar tracker, a digital camera and a homemade program to process the camera data and to control the motion of the tracker. The key idea is to evaluate the image of the radiation source on the entrance field stop of the spectrometer. We prove that the system reaches tracking accuracies of about 10 arc s for a ground-based solar absorption FTIR spectrometer, which is significantly better than current solar trackers. Moreover, due to the incorporation of a camera, the new system allows to document residual pointing errors and to point onto the solar disk center even in case of variable intensity distributions across the source due to cirrus or haze.

Rietveld refinement and FTIR analysis of bulk ceramic Co3-xMnxO4 compositions

Science.gov (United States)

Meena, P. L.; Kumar, Ravi; Sreenivas, K.

2013-02-01

Co3-xMnxO4 (x = 0.0, 0.6, 1.2) prepared by solid state reaction method and characterized by powder X-ray diffraction (XRD) and Fourier transform infrared (FTIR). Lattice parameters (a), oxygen parameter (u), and ionic radii of cations have been determined through Rietveld analysis. Both a and u parameters are related to expansion of octahedral site as Mn content in Co3O4. Analysis of XRD data show that Mn (x ≤ 1.2) is accommodated at the octahedral site, while retaining the cubic spinel structure. FTIR results also confirm the same and signify strong interactions due to overlapping of Co and Mn octahedra.

Assessment of nonenzymatic glycation in protein by FTIR spectroscopy

Science.gov (United States)

Otero de Joshi, Virginia; Joshi, Narahari V.; Gil, Herminia; Velasquez, William; Contreras, Silvia; Marquez, Glevis

1999-04-01

Detection of nonenzymatic glycated proteins is a very significant feature in diabetes, aging and related diseases, therefore we have carried out an FTIR spectroscopic study for glycated and native proteins such as (gamma) -globulin, human serum albumin. For this purpose, commercially available proteins were glycated by a usual procedure and their FTIR spectra were recorded together with that of the native ones. In order to follow the changes in time, (gamma) -globulin was glycated during 1, 2, 3, 5 and 8 weeks and their spectra were recorded. Direct verification was obtained by examining a model unit where the -NH2 group was attached to glucose. The spectrum shows a strong peak at 3500 cm-1 confirming the observed variation in time dependent spectra. The general features of the spectra are very similar and there was no additional structure or change in the peaks. This is understandable as not all the lysine residues are glycated, only a small fraction. Glucose is attached to the (epsilon) -amino group of lysine to form Amadori products, and therefore, the vibrational modes corresponding to the (epsilon) -NH2 unit of lysine are expected to be altered. This region exactly lies in the Amide I region of protein structure. Careful investigation of this part, indeed, shows a complex structure originated from alternations of -NH2 group. Thus, the present investigation indicates that an optical approach could be a rapid and effective method to identify the nonenzymatic glycation process.

ATR-FTIR for rapid detection and quantification of counterfeit medicines

OpenAIRE

Ogwu, John; Lawson, Graham; Tanna, Sangeeta

2015-01-01

From therapeutic to lifestyle medicines, the counterfeiting of medicines has been on the rise in recent times [1]. Estimates indicate that about 10% of medicines worldwide are counterfeits with much higher figures in developing countries [2]. Currently, the rapid screening of medicines is a challenge leaving many patients at risk [1]. This study considered the potential use of Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) for rapid quantitative analysis of ta...

Technology of the Gramophone Records of the Music Museum by Fourier Transform Infrared Spectrometry (FTIR Method

Directory of Open Access Journals (Sweden)

Seyedeh Zeinab Afzali

2017-02-01

Full Text Available Music is one of the branches of the art whose helpful role and usefulness in the human’s mind and soul is undeniable. It is the only art which in the philosophers’ divisions is directly linked with the human spirit and immediate overflows the ears of his soul. The sound, as a psychological phenomenon is associated with the emotion and excitement so that sometimes calms and sometimes confuses the human. This study aims to examine the technology of the gramophone records in the Music Museum by Fourier transform infrared spectrometry (FTIR. The method of this research is experimental and the data are collected by documentation, library, and using FTIR tests. Some records of the Music Museum were studied including four samples of 78 rpm platter (stone platter, one sample of 45 rpm, and one sample of 33 rpm (vinyl platter. The results of the FTIR test indicated that the materials of the records were vinyl and shellac and in their raw material, some of the softening additives (phthalates and fillers (silica and calcium carbonate compounds had been used.

Bone scan and joint scan of hands and feet in rheumatoid arthritis

International Nuclear Information System (INIS)

Carpentier, N.; Verbeke, S.; Perdrisot, R.; Grilo, R.M.; Quenesson, E.; Bonnet, C.; Vergne, P.; Treves, R.; Bertin, P.; Boutros-Toni, F.

2000-01-01

The aim of this study was to determine the ability of joint scan and bone scan of hands and feet, in patients with rheumatoid arthritis, to localize the altered joints. The sensitivity, the specificity, the positive predictive value (PPV) and the negative predictive value (NPV) of joint scan were determined in comparison with clinical joint assessment. Fifteen patients (780 joints) were clinically examined (pain and synovitis); during the same day, a bone scan and a joint scan were realized by oxidronate 99m Tc intravenous injection. Patients were scanned 5 minutes (tissual time, T t ) and 3 hours 1/4 (bone time, T 0 ) after the administration. The uptake of the bi-phosphonate was evaluated with a qualitative method using a grey scale. The uptake of 99m Tc oxidronate was quantitated using an extra-articular region of interest. The sensitivity, specificity, PPV and NPV of the scan at Tt were 46%, 96%, 85% et 78%. The same parameters were 75%, 66%, 53% and 84% for the scan realized at T 0 . The joint scan has showed 22% of false positive. These false positives could be a consequence of an earlier detection of joint alterations by scan. The joint scan should forecast the evolution of joints in patients with rheumatoid arthritis. (author)

Scanning gamma camera

International Nuclear Information System (INIS)

Engdahl, L.W.; Batter, J.F. Jr.; Stout, K.J.

1977-01-01

A scanning system for a gamma camera providing for the overlapping of adjacent scan paths is described. A collimator mask having tapered edges provides for a graduated reduction in intensity of radiation received by a detector thereof, the reduction in intensity being graduated in a direction normal to the scanning path to provide a blending of images of adjacent scan paths. 31 claims, 15 figures

Monitorando a degradação da poliamida 11 (PA-11 via espectroscopia na região do infravermelho médio com transformada de fourier (FTIR Monitoring the degradation of polyamide 11 (PA-11 via fourier transform infrared spectroscopy (FTIR

Directory of Open Access Journals (Sweden)

Eloilson Domingos

2012-01-01

Full Text Available O potencial da técnica de espectroscopia de infravermelho com transformada de Fourier e acessório de reflexão total atenuada (FTIR-ATR foi avaliado para o monitoramento da degradação da poliamida 11 (PA-11 usada em dutos flexíveis. As amostras foram submetidas a envelhecimento em reatores com pressão controlada e atmosfera inerte. Os corpos de prova foram imersos em água deionizada (pH 7, nas temperaturas de 110, 120 e 140 ºC por um período de até 50 dias. A técnica recomendada para monitoramento da degradação da PA-11 é a viscosimetria, através de medidas da viscosidade inerente corrigida (VIC e a análise termogravimétrica (TGA. O comportamento observado para a VIC e TGA durante o envelhecimento possibilitou a construção de modelos que correlacionam com a técnica de FTIR-ATR. A partir dos resultados de FTIR-ATR, a variação na intensidade da banda atribuída à fase amorfa, 1161 cm-1, possibilitou o monitoramento do envelhecimento quando associamos a técnica a modelos quimiométricos como o de regressão dos mínimos quadrados parciais, PLS. Portanto, a técnica FTIR-ATR pode ser uma nova alternativa no monitoramento da degradação hidrolítica da PA-11, eliminando assim o uso de solventes orgânicos tóxicos e reduzindo, consequentemente, o tempo de análise.The potential of the infrared spectroscopy with the attenuated total reflection technique (FTIR-ATR was evaluated to monitor degradation of polyamide 11, PA-11, applied in flexible pipes. The samples were subjected to aging on reactors with controlled pressure and atmosphere. The samples were immersed in deionized water, pH 7, at temperatures of 110, 120 and 140 ºC over a period of up to 50 days. The typical technique recommended for monitoring PA-11 degradation is viscometry from inherent viscosity corrected (VIC and thermogravimetric (TGA measurements. TGA and VIC results allowed the use of chemometric models that can be related to FTIR-ATR spectra, with

Monitorando a degradação da poliamida 11 (PA-11 via espectroscopia na região do infravermelho médio com transformada de fourier (FTIR Monitoring the degradation of polyamide 11 (PA-11 via fourier transform infrared spectroscopy (FTIR

Directory of Open Access Journals (Sweden)

Eloilson Domingos

2013-01-01

Full Text Available O potencial da técnica de espectroscopia de infravermelho com transformada de Fourier e acessório de reflexão total atenuada (FTIR-ATR foi avaliado para o monitoramento da degradação da poliamida 11 (PA-11 usada em dutos flexíveis. As amostras foram submetidas a envelhecimento em reatores com pressão controlada e atmosfera inerte. Os corpos de prova foram imersos em água deionizada (pH 7, nas temperaturas de 110, 120 e 140 ºC por um período de até 50 dias. A técnica recomendada para monitoramento da degradação da PA-11 é a viscosimetria, através de medidas da viscosidade inerente corrigida (VIC e a análise termogravimétrica (TGA. O comportamento observado para a VIC e TGA durante o envelhecimento possibilitou a construção de modelos que correlacionam com a técnica de FTIR-ATR. A partir dos resultados de FTIR-ATR, a variação na intensidade da banda atribuída à fase amorfa, 1161 cm-1, possibilitou o monitoramento do envelhecimento quando associamos a técnica a modelos quimiométricos como o de regressão dos mínimos quadrados parciais, PLS. Portanto, a técnica FTIR-ATR pode ser uma nova alternativa no monitoramento da degradação hidrolítica da PA-11, eliminando assim o uso de solventes orgânicos tóxicos e reduzindo, consequentemente, o tempo de análise.The potential of the infrared spectroscopy with the attenuated total reflection technique (FTIR-ATR was evaluated to monitor degradation of polyamide 11, PA-11, applied in flexible pipes. The samples were subjected to aging on reactors with controlled pressure and atmosphere. The samples were immersed in deionized water, pH 7, at temperatures of 110, 120 and 140 ºC over a period of up to 50 days. The typical technique recommended for monitoring PA-11 degradation is viscometry from inherent viscosity corrected (VIC and thermogravimetric (TGA measurements. TGA and VIC results allowed the use of chemometric models that can be related to FTIR-ATR spectra, with

Study of thermal pre-treatment on anaerobic digestion of slaughterhouse waste by TGA-MS and FTIR spectroscopy.

Science.gov (United States)

Rodríguez-Abalde, Ángela; Gómez, Xiomar; Blanco, Daniel; Cuetos, María José; Fernández, Belén; Flotats, Xavier

2013-12-01

Thermogravimetric analysis coupled to mass spectrometry (TGA-MS) and Fourier-transform infrared spectroscopy (FTIR) were used to describe the effect of pasteurization as a hygienic pre-treatment of animal by-products over biogas production. Piggery and poultry meat wastes were used as substrates for assessing the anaerobic digestion under batch conditions at mesophilic range. Poultry waste was characterized by high protein and carbohydrate content, while piggery waste presented a major fraction of fat and lower carbohydrate content. Results from anaerobic digestion tests showed a lower methane yield for the pre-treated poultry sample. TGA-MS and FTIR spectroscopy allowed the qualitative identification of recalcitrant nitrogen-containing compounds in the pre-treated poultry sample, produced by Maillard reactions. In the case of piggery waste, the recalcitrant compounds were not detected and its biodegradability test reported higher methane yield and production rates. TGA-MS and FTIR spectroscopy were demonstrated to be useful tools for explaining results obtained by anaerobic biodegradability test and in describing the presence of inhibitory problems.

Relationship to reducing sugar production and scanning electron microscope structure to pretreated hemp hurd biomass (Cannabis sativa)

International Nuclear Information System (INIS)

Abraham, Reinu E.; Barrow, Colin J.; Puri, Munish

2013-01-01

Lignocellulosic biomass is a highly rigid and recalcitrant structure which requires pretreatment to loosen chemical bonds to make accessible monomeric sugars for biofuel production. In this study, locally available biomass, that is hemp (Cannabis sativa), a low cost feedstock for ethanol production, has been used for the production of fermentable sugars. Hemp hurd biomass (HHB) was exposed to five different pretreatments which included dilute acid (H 2 SO 4 ), alkaline (NaOH), alkaline peroxide, hot water and one stage dilute acid (H 2 SO 4 ). Different pretreatments resulted in loosening and degradation of HHB structure thus facilitating enzymatic saccharification at optimized parameters (pH–4.8 and 50 °C). The changes in the reactive groups (hydroxyl or acetyl) of the HHB were confirmed by attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Scanning electron microscopy (SEM) was employed to characterize the surface morphology of untreated and treated HHB. Finally, enzymatic saccharification demonstrated maximum yield of total sugars (743 mg g −1 ) that are suitable for biofuel production. -- Highlights: • Hemp hurd biomass (HHB) was used for producing fermentable sugars. • Alkaline pretreatment resulted in loosening and degradation of hemp structure. • Pretreated HHB was characterized using FTIR studies. • SEM studies evaluated the opening of fiber bundles in pretreatment, thereby increasing cellulose access to enzymes. • Enzymatic saccharification of pretreated HHB demonstrated maximum yield of reducing sugars

A comparison of transmission, reflection and photoacoustic FTIR techniques in the analysis of recycled and irradiated polyamide-6

International Nuclear Information System (INIS)

Evora, Maria C.; Goncalez, Odair L.

2002-01-01

A comparative study involving transmission, reflection and photoacoustic FTIR techniques is presented with analysis of polyamide-6. The potential and limitations of these methods are investigated by analyzing structural variations that take place at the surface in the bulk in recycled and irradiated polyamide-6 with a 1.5 MeV electron beam with a 500kGY dose, in the presence of O 2 . FTIR techniques appear to be sensitive in detecting small structural changes that occur in recycled and irradiated polyamide-6. The analysis of samples indicated the formation of OH, HOC=O-, - C=O groups. Also, small structural changes were detected which are characterisitic of NH and CN-C=O groups. Transmission techniques show better the structural changes in the bulk, and microscopy-FTIR appears to be more sensitive in detecting what occurs at the sample surface. (author)

Triglyceride dependent differentiation of obesity in adipose tissues by FTIR spectroscopy coupled with chemometrics.

Science.gov (United States)

Kucuk Baloglu, Fatma; Baloglu, Onur; Heise, Sebastian; Brockmann, Gudrun; Severcan, Feride

2017-10-01

The excess deposition of triglycerides in adipose tissue is the main reason of obesity and causes excess release of fatty acids to the circulatory system resulting in obesity and insulin resistance. Body mass index and waist circumference are not precise measure of obesity and obesity related metabolic diseases. Therefore, in the current study, it was aimed to propose triglyceride bands located at 1770-1720 cm -1 spectral region as a more sensitive obesity related biomarker using the diagnostic potential of Fourier Transform Infrared (FTIR) spectroscopy in subcutaneous (SCAT) and visceral (VAT) adipose tissues. The adipose tissue samples were obtained from 10 weeks old male control (DBA/2J) (n = 6) and four different obese BFMI mice lines (n = 6 per group). FTIR spectroscopy coupled with hierarchical cluster analysis (HCA) and principal component analysis (PCA) was applied to the spectra of triglyceride bands as a diagnostic tool in the discrimination of the samples. Successful discrimination of the obese, obesity related insulin resistant and control groups were achieved with high sensitivity and specificity. The results revealed the power of FTIR spectroscopy coupled with chemometric approaches in internal diagnosis of abdominal obesity based on the spectral differences in the triglyceride region that can be used as a spectral marker. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

FTIR and Raman spectroscopic studies of selenium nanoparticles synthesised by the bacterium Azospirillum thiophilum

Science.gov (United States)

Tugarova, Anna V.; Mamchenkova, Polina V.; Dyatlova, Yulia A.; Kamnev, Alexander A.

2018-03-01

Vibrational (Fourier transform infrared (FTIR) and Raman) spectroscopic techniques can provide unique molecular-level information on the structural and compositional characteristics of complicated biological objects. Thus, their applications in microbiology and related fields are steadily increasing. In this communication, biogenic selenium nanoparticles (Se NPs) were obtained via selenite (SeO32-) reduction by the bacterium Azospirillum thiophilum (strain VKM B-2513) for the first time, using an original methodology for obtaining extracellular NPs. Dynamic light scattering (DLS) and transmission electron microscopy (TEM) showed the Se NPs to have average diameters within 160-250 nm; their zeta potential was measured to be minus 18.5 mV. Transmission FTIR spectra of the Se NPs separated from bacterial cells showed typical proteinacious, polysaccharide and lipid-related bands, in line with TEM data showing a thin layer covering the Se NPs surface. Raman spectra of dried Se NPs layer in the low-frequency region (under 500 cm-1 down to 150 cm-1) showed a single very strong band with a maximum at 250 cm-1 which, in line with its increased width (ca. 30 cm-1 at half intensity), can be attributed to amorphous elementary Se. Thus, a combination of FTIR and Raman spectroscopic approaches is highly informative in non-destructive analysis of structural and compositional properties of biogenic Se NPs.

Z-scan measurement for nonlinear absorption property of rGO/ZnO:Al thin film

Science.gov (United States)

Sreeja, V. G.; Anila, E. I.

2018-04-01

We report the fabrication of reduced graphene oxide integrated aluminium doped zinc oxide (rGO/ZnO:Al) composite thin film on a glass substrate by spin coating technique. The effect of rGO on structural and linear optical properties of rGO/ZnO:Al composite thin film was explored with the help of X-Ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and UV-Vis absorption spectroscopy. Structural studies reveals that the composite film has hexagonal wurtzite structure with a strong bonding between rGO and ZnO:Al material. The band gap energy of ZnO:Al thin film was red shifted by the addition of rGO. The Nonlinear absorption property was investigated by open aperture Z-scan technique by using Q switched Nd-YAG laser at 532nm. The Z-scan results showed that the composite film demonstrates reverse saturable absorption property with a nonlinear absorption coefficient, β, of 12.75×10-7m/w. The results showed that investigated rGO/ZnO:Al thin film is a promising material suitable for the applications in absorbing type optical devices such as optical limiters, optical switches and protection of the optical sensors in the field of nonlinear optics.

Application of FTIR spectroscopy for analysis of the quality of honey

Directory of Open Access Journals (Sweden)

Kędzierska-Matysek Monika

2018-01-01

Full Text Available Every kind of honey is a very precious natural product which is made by Mellifera bees species. The chemical composition of honey depends on its origin or mode of production. Honey consists essentially of different sugars, predominantly fructose and glucose. There are also non – sugar ingredients like proteins and amino acids, as well as some kind of enzymes, such as: invertase, amylase, glucose oxidase, catalase and phosphatase. The fact that honey is one of the oldest medicine known worldwide is remarkable. Scientists all over the world have been trying to improve analytical methods as well as to implement new ones in order to reaffirm the high quality of honey the benefits of which may be distracted or disturbed. There are many methods and popular analytical techniques, including as follows: mass spectroscopy and molecular spectroscopy (especially FTIR spectroscopy. The infrared spectroscopy technique is one of the most common analytical methods which are used to analyse honey nowadays. The main aim of the task was to use ATR-FTIR infrared spectroscopy to compare selected honey samples as well as typical sequences coming out from certain functional groups in the analysed samples.

Stability studies and degradation analysis of plastic solar cell materials by FTIR spectroscopy

NARCIS (Netherlands)

Neugebauer, H.; Brabec, C.J.; Hummelen, J.C.; Janssen, R.A.J.; Sariciftci, N.S.

1999-01-01

Results of controlled degradation experiments performed with the individual components and with the actual mixture used in plastic solar cells are shown. A testing procedure for the stability and for degradation effects under illumination in controlled atmosphere using FTIR-ATR spectroscopy is

[Establishment of the Mathematical Model for PMI Estimation Using FTIR Spectroscopy and Data Mining Method].

Science.gov (United States)

Wang, L; Qin, X C; Lin, H C; Deng, K F; Luo, Y W; Sun, Q R; Du, Q X; Wang, Z Y; Tuo, Y; Sun, J H

2018-02-01

To analyse the relationship between Fourier transform infrared （FTIR） spectrum of rat's spleen tissue and postmortem interval （PMI） for PMI estimation using FTIR spectroscopy combined with data mining method. Rats were sacrificed by cervical dislocation, and the cadavers were placed at 20 ℃. The FTIR spectrum data of rats' spleen tissues were taken and measured at different time points. After pretreatment, the data was analysed by data mining method. The absorption peak intensity of rat's spleen tissue spectrum changed with the PMI, while the absorption peak position was unchanged. The results of principal component analysis （PCA） showed that the cumulative contribution rate of the first three principal components was 96%. There was an obvious clustering tendency for the spectrum sample at each time point. The methods of partial least squares discriminant analysis （PLS-DA） and support vector machine classification （SVMC） effectively divided the spectrum samples with different PMI into four categories （0-24 h, 48-72 h, 96-120 h and 144-168 h）. The determination coefficient （ R ²） of the PMI estimation model established by PLS regression analysis was 0.96, and the root mean square error of calibration （RMSEC） and root mean square error of cross validation （RMSECV） were 9.90 h and 11.39 h respectively. In prediction set, the R ² was 0.97, and the root mean square error of prediction （RMSEP） was 10.49 h. The FTIR spectrum of the rat's spleen tissue can be effectively analyzed qualitatively and quantitatively by the combination of FTIR spectroscopy and data mining method, and the classification and PLS regression models can be established for PMI estimation. Copyright© by the Editorial Department of Journal of Forensic Medicine.

Quantitative analysis of H2O and CO2 in cordierite using polarized FTIR spectroscopy

Science.gov (United States)

Della Ventura, Giancarlo; Radica, Francesco; Bellatreccia, Fabio; Cavallo, Andrea; Capitelli, Francesco; Harley, Simon

2012-11-01

We report a FTIR (Fourier transform infrared) study of a set of cordierite samples from different occurrence and with different H2O/CO2 content. The specimens were fully characterized by a combination of techniques including optical microscopy, single-crystal X-ray diffraction, EMPA (electron microprobe analysis), SIMS (secondary ion mass spectrometry), and FTIR spectroscopy. All cordierites are orthorhombic Ccmm. According to the EMPA data, the Si/Al ratio is always close to 5:4; X Mg ranges from 76.31 to 96.63, and additional octahedral constituents occur in very small amounts. Extraframework K and Ca are negligible, while Na reaches the values up to 0.84 apfu. SIMS shows H2O up to 1.52 and CO2 up to 1.11 wt%. Optically transparent single crystals were oriented using the spindle stage and examined by FTIR micro-spectroscopy under polarized light. On the basis of the polarizing behaviour, the observed bands were assigned to water molecules in two different orientations and to CO2 molecules in the structural channels. The IR spectra also show the presence of small amounts of CO in the samples. Refined integrated molar absorption coefficients were calibrated for the quantitative microanalysis of both H2O and CO2 in cordierite based on single-crystal polarized-light FTIR spectroscopy. For H2O the integrated molar coefficients for type I and type II water molecules (ν3 modes) were calculated separately and are [I]ɛ = 5,200 ± 700 l mol-1 cm-2 and [II]ɛ = 13,000 ± 3,000 l mol-1 cm-2, respectively. For CO2 the integrated coefficient is \\varepsilon_{{{{CO}}_{ 2} }} = 19,000 ± 2,000 l mol-1 cm-2.

Scanning tunneling microscopy II further applications and related scanning techniques

CERN Document Server

Güntherodt, Hans-Joachim

1992-01-01

Scanning Tunneling Microscopy II, like its predecessor, presents detailed and comprehensive accounts of the basic principles and broad range of applications of STM and related scanning probe techniques. The applications discussed in this volume come predominantly from the fields of electrochemistry and biology. In contrast to those described in Vol. I, these sudies may be performed in air and in liquids. The extensions of the basic technique to map other interactions are described inchapters on scanning force microscopy, magnetic force microscopy, scanning near-field optical microscopy, together with a survey of other related techniques. Also described here is the use of a scanning proximal probe for surface modification. Togehter, the two volumes give a comprehensive account of experimental aspcets of STM. They provide essentialreading and reference material for all students and researchers involvedin this field.

Application of FT-IR Classification Method in Silica-Plant Extracts Composites Quality Testing

Science.gov (United States)

Bicu, A.; Drumea, V.; Mihaiescu, D. E.; Purcareanu, B.; Florea, M. A.; Trică, B.; Vasilievici, G.; Draga, S.; Buse, E.; Olariu, L.

2018-06-01

Our present work is concerned with the validation and quality testing efforts of mesoporous silica - plant extracts composites, in order to sustain the standardization process of plant-based pharmaceutical products. The synthesis of the silica support were performed by using a TEOS based synthetic route and CTAB as a template, at room temperature and normal pressure. The silica support was analyzed by advanced characterization methods (SEM, TEM, BET, DLS and FT-IR), and loaded with Calendula officinalis and Salvia officinalis standardized extracts. Further desorption studies were performed in order to prove the sustained release properties of the final materials. Intermediate and final product identification was performed by a FT-IR classification method, using the MID-range of the IR spectra, and statistical representative samples from repetitive synthetic stages. The obtained results recommend this analytical method as a fast and cost effective alternative to the classic identification methods.

CT Scan

Science.gov (United States)

... disease, lung nodules and liver masses Monitor the effectiveness of certain treatments, such as cancer treatment Detect ... scan done in a hospital or an outpatient facility. CT scans are painless and, with newer machines, ...

Renal scan

Science.gov (United States)

... this page: //medlineplus.gov/ency/article/003790.htm Renal scan To use the sharing features on this ... anaphylaxis . Alternative Names Renogram; Kidney scan Images Kidney anatomy Kidney - blood and urine flow References Chernecky CC, ...

Precursor and Neutral Loss Scans in an RF Scanning Linear Quadrupole Ion Trap

Science.gov (United States)

Snyder, Dalton T.; Szalwinski, Lucas J.; Schrader, Robert L.; Pirro, Valentina; Hilger, Ryan; Cooks, R. Graham

2018-03-01

Methodology for performing precursor and neutral loss scans in an RF scanning linear quadrupole ion trap is described and compared to the unconventional ac frequency scan technique. In the RF scanning variant, precursor ions are mass selectively excited by a fixed frequency resonance excitation signal at low Mathieu q while the RF amplitude is ramped linearly to pass ions through the point of excitation such that the excited ion's m/z varies linearly with time. Ironically, a nonlinear ac frequency scan is still required for ejection of the product ions since their frequencies vary nonlinearly with the linearly varying RF amplitude. In the case of the precursor scan, the ejection frequency must be scanned so that it is fixed on a product ion m/z throughout the RF scan, whereas in the neutral loss scan, it must be scanned to maintain a constant mass offset from the excited precursor ions. Both simultaneous and sequential permutation scans are possible; only the former are demonstrated here. The scans described are performed on a variety of samples using different ionization sources: protonated amphetamine ions generated by nanoelectrospray ionization (nESI), explosives ionized by low-temperature plasma (LTP), and chemical warfare agent simulants sampled from a surface and analyzed with swab touch spray (TS). We lastly conclude that the ac frequency scan variant of these MS/MS scans is preferred due to electronic simplicity. In an accompanying manuscript, we thus describe the implementation of orthogonal double resonance precursor and neutral loss scans on the Mini 12 using constant RF voltage. [Figure not available: see fulltext.

Precision controlled atomic resolution scanning transmission electron microscopy using spiral scan pathways

Science.gov (United States)

Sang, Xiahan; Lupini, Andrew R.; Ding, Jilai; Kalinin, Sergei V.; Jesse, Stephen; Unocic, Raymond R.

2017-03-01

Atomic-resolution imaging in an aberration-corrected scanning transmission electron microscope (STEM) can enable direct correlation between atomic structure and materials functionality. The fast and precise control of the STEM probe is, however, challenging because the true beam location deviates from the assigned location depending on the properties of the deflectors. To reduce these deviations, i.e. image distortions, we use spiral scanning paths, allowing precise control of a sub-Å sized electron probe within an aberration-corrected STEM. Although spiral scanning avoids the sudden changes in the beam location (fly-back distortion) present in conventional raster scans, it is not distortion-free. “Archimedean” spirals, with a constant angular frequency within each scan, are used to determine the characteristic response at different frequencies. We then show that such characteristic functions can be used to correct image distortions present in more complicated constant linear velocity spirals, where the frequency varies within each scan. Through the combined application of constant linear velocity scanning and beam path corrections, spiral scan images are shown to exhibit less scan distortion than conventional raster scan images. The methodology presented here will be useful for in situ STEM imaging at higher temporal resolution and for imaging beam sensitive materials.

Measurements of nonlinear optical properties of PVDF/ZnO using Z-scan technique

Energy Technology Data Exchange (ETDEWEB)

Shanshool, Haider Mohammed, E-mail: haidshan62@gmail.com [Ministry of Science and Technology, Baghdad (Iraq); Yahaya, Muhammad [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, Selangor (Malaysia); Yunus, Wan Mahmood Mat [Department of Physics, Faculty of Science, University Putra Malaysia, Serdang (Malaysia); Abdullah, Ibtisam Yahya [Department of Physics, College of Science, University of Mosul, Mosul (Iraq)

2015-10-15

The nonlinear optical properties of ZnO nanoparticles dispersed in poly (vinylidene fluoride) (PVDF) polymer are investigated. PVDF/ZnO nanocomposites were prepared by mixing different concentrations of ZnO nanoparticles, as the filler, with PVDF, as the polymer matrix, using casting method. Acetone was used as a solvent for the polymer. FTIR spectra of the samples were analyzed thus confirming the formation of α and β phases. The absorbance spectra of the samples were obtained, thereby showing high absorption in the UV region. The linear absorption coefficient was calculated. The single-beam Z-scan technique was used to measure the nonlinear refractive index and the nonlinear absorption coefficient of the PVDF/ZnO nanocomposite samples. We observed that the nonlinear refractive index is in the order of 10{sup -13} cm{sup 2}/W with the negative sign, whereas the nonlinear absorption coefficient is in the order of 10{sup -8} cm/W. (author)

Comparison of serum from gastric cancer patients and from healthy persons using FTIR spectroscopy

Science.gov (United States)

Sheng, Daping; Wu, Yican; Wang, Xin; Huang, Dake; Chen, Xianliang; Liu, Xingcun

2013-12-01

Since serum can reflect human beings' physiological and pathological conditions, FTIR spectroscopy was used to compare gastric cancer patients' serum with healthy persons' serum in this study. The H2959/H2931, H1646/H1550, H1314/H1243, H1453/H1400 and H1080/H1550 ratios were calculated, among these ratios, the H2959/H2931 ratio might be a standard for distinguishing gastric cancer patients from healthy persons. Then curve fitting was processed using Gaussian curves in the 1140-1000 cm-1 region, and the result showed that the RNA/DNA ratios of gastric cancer patients' serum were obviously lower than those of healthy persons' serum. The results suggest that FTIR spectroscopy may be a potentially useful tool for diagnosis of gastric cancer.

Evaluation of FTIR Spectroscopy as a diagnostic tool for lung cancer using sputum

Directory of Open Access Journals (Sweden)

Wills John

2010-11-01

Full Text Available Abstract Background Survival time for lung cancer is poor with over 90% of patients dying within five years of diagnosis primarily due to detection at late stage. The main objective of this study was to evaluate Fourier transform infrared spectroscopy (FTIR as a high throughput and cost effective method for identifying biochemical changes in sputum as biomarkers for detection of lung cancer. Methods Sputum was collected from 25 lung cancer patients in the Medlung observational study and 25 healthy controls. FTIR spectra were generated from sputum cell pellets using infrared wavenumbers within the 1800 to 950 cm-1 "fingerprint" region. Results A panel of 92 infrared wavenumbers had absorbances significantly different between cancer and normal sputum spectra and were associated with putative changes in protein, nucleic acid and glycogen levels in tumours. Five prominent significant wavenumbers at 964 cm-1, 1024 cm-1, 1411 cm-1, 1577 cm-1 and 1656 cm-1 separated cancer spectra from normal spectra into two distinct groups using multivariate analysis (group 1: 100% cancer cases; group 2: 92% normal cases. Principal components analysis revealed that these wavenumbers were also able to distinguish lung cancer patients who had previously been diagnosed with breast cancer. No patterns of spectra groupings were associated with inflammation or other diseases of the airways. Conclusions Our results suggest that FTIR applied to sputum might have high sensitivity and specificity in diagnosing lung cancer with potential as a non-invasive, cost-effective and high-throughput method for screening. Trial Registration ClinicalTrials.gov: NCT00899262

MICROSCOPY, MICRO-CHEMISTRY AND FTIR AS ANALYTICAL TOOLS FOR IDENTIFYING TRANSPARENT FINISHES CASE STUDIES FROM ASTRA MUSEUM – SIBIU

Directory of Open Access Journals (Sweden)

Maria Cristina TIMAR

2015-12-01

Full Text Available Conservation of cultural heritage relies on scientific investigation of artefacts, a key point being identification of the original materials. In this context, besides wood species identification, investigation of finishing layers is of ultimate importance for old furniture and any other wooden objects with historic, documentary or artistic value. The present paper refers to a series of micro-destructive investigation methods applied for identification of finishing materials, namely: simple in situ and laboratory physical tests, optical microscopy, micro-chemistry and FTIR – ATR analysis. Small samples of finishing layers were taken from four furniture objects belonging to CNM ASTRA Sibiu and were analysed according to the usual procedures of the laboratories from Sibiu and Brasov. The results showed that physical tests and microscopy are useful to get basic information on the samples’ morphology and possible classes of coating materials, while micro-chemistry revealed by some successive tests more specific information on the type of finishing materials. FTIR - ATR is a rapid method of identifying the coating materials based on available reference samples or spectra. However, this is not always straightforward and preliminary physical tests of solubility are useful to select the adequate references, while micro-chemistry tests could complete the FTIR result, especially for those components of the finishing layer present in very small amounts (less than 5%, bellow the FTIR sensitivity. Corroboration of microscopy, physical and micro-chemistry tests with FTIR can provide more reliable results in terms of finishes identification and also valuable information for restoration.

Molecular structure of human aortic valve by μSR- FTIR microscopy

Science.gov (United States)

Borkowska, Anna M.; Nowakowski, Michał; Lis, Grzegorz J.; Wehbe, Katia; Cinque, Gianfelice; Kwiatek, Wojciech M.

2017-11-01

Aortic valve is a part of the heart most frequently affected by pathological processes in humans what constitute a very serious health problem. Therefore, studies of morphology and molecular microstructure of the AV are needed. μSR- FTIR spectroscopy and microscopy represent unique tools to study chemical composition of the tissue and to identify spectroscopic markers characteristic for structural and functional features. Normal AV reveals a multi-layered structure and the compositional and structural changes within particular layers may trigger degenerative processes within the valve. Thus, deep insight into the structure of the valve to understand pathological processes occurring in AV is needed. In order to identify differences between three layers of human AV, tissue sections of macroscopically normal AV were studied using μSR- FTIR spectroscopy in combination with histological and histochemical stainings. Tissue sections deposited onto CaF2 substrates were mapped and representative set of IR spectra collected from fibrosa, spongiosa and ventricularis were analysed by Principal Component Analysis (PCA) in the spectral range between 1850-1000 cm-1 and 3050-2750 cm-1. PCA revealed a layered molecular structure of the valve and it was possible to identify IR bands associated to different tissue parts. Spongiosa layer was well differentiated from other two layers mainly based on IR bands characteristic for the distribution of glycosaminoglycans (GAGs) in the tissue - like 1170 cm-1 (υas(C-O-S)) and 1380 cm-1 (acetyl amino group). Additionally, it was distinguished from fibrosa and ventricularis based on 1085 cm-1 and 1240 cm-1 bands characteristic for GAGs and for carbohydrates- ν(C-O) and ν(C-O-C) respectively and nucleic acids -νsym(PO2-) and νasym(PO2-) respectively, which were less specific for this layer. The use of μSR- FTIR spectroscopy demonstrated co-localization of GAGs and lipids in spongiosa layer what may indicate their contribution in the very

Formulation and Evaluation of Spray-Dried Esomeprazole ...

African Journals Online (AJOL)

HP

(FTIR), differential scanning calorimetry (DSC) and scanning electron microscopy (SEM). Results: The microspheres were discrete, spherical, and showed good drug entrapment efficiency. (60.5 - 92.3 %). FTIR and DSC results indicate that the drug was compatible with the polymers used. Amongst all the formulations, ...

Formulation and Evaluation of Spray-Dried Esomeprazole ...

African Journals Online (AJOL)

evaluated for their micromeritic properties and in vitro release. as well as by Fourier transform infrared (FTIR), differential scanning calorimetry (DSC) and scanning electron microscopy (SEM). Results: The microspheres were discrete, spherical, and showed good drug entrapment efficiency (60.5 - 92.3 %). FTIR and DSC ...

FT-IR spectroscopy: A powerful tool for studying the inter- and intraspecific biodiversity of cultivable non-Saccharomyces yeasts isolated from grape must.

Science.gov (United States)

Grangeteau, Cédric; Gerhards, Daniel; Terrat, Sebastien; Dequiedt, Samuel; Alexandre, Hervé; Guilloux-Benatier, Michèle; von Wallbrunn, Christian; Rousseaux, Sandrine

2016-02-01

The efficiency of the FT-IR technique for studying the inter- and intra biodiversity of cultivable non-Saccharomyces yeasts (NS) present in different must samples was examined. In first, the capacity of the technique FT-IR to study the global diversity of a given sample was compared to the pyrosequencing method, used as a reference technique. Seven different genera (Aureobasidium, Candida, Cryptococcus, Hanseniaspora, Issatchenkia, Metschnikowia and Pichia) were identified by FT-IR and also by pyrosequencing. Thirty-eight other genera were identified by pyrosequencing, but together they represented less than 6% of the average total population of 6 musts. Among the species identified, some of them present organoleptic potentials in winemaking, particularly Starmerella bacillaris (synonym Candidazemplinina). So in a second time, we evaluated the capacity of the FT-IR technique to discriminate the isolates of this species because few techniques were able to study intraspecific NS yeast biodiversity. The results obtained were validated by using a classic method as ITS sequencing. Biodiversity at strain level was high: 19 different strains were identified from 58 isolates. So, FT-IR spectroscopy seems to be an accurate and reliable method for identifying major genera present in the musts. The two biggest advantages of the FT-IR are the capacity to characterize intraspecific biodiversity of non-Saccharomyces yeasts and the possibility to discriminate a lot of strains. Copyright © 2015 Elsevier B.V. All rights reserved.

Use of polar and nonpolar fractions as additional information sources for studying thermoxidized virgin olive oils by FTIR

Directory of Open Access Journals (Sweden)

Tena, N.

2014-09-01

Full Text Available Fourier transform infrared (FTIR spectroscopy has been proposed to study the degradation of virgin olive oils (VOO in samples undergoing thermoxidation. The polar and nonpolar fractions of oxidized oils have been analyzed by FTIR to provide further information on the minor spectral changes taking place during thermoxidation. This information assists in the interpretation of the spectra of the samples. For this purpose polar and nonpolar fractions of 47 VOO samples thermoxidized (190 °C in a fryer were analyzed by FTIR. The time-course change of the band area assigned to single cis double bonds was explained by their correlation with the decrease in oleic acid (adjusted-R2=0.93. The bands assigned to the hydroxyl groups and the first overtone of ester groups was better studied in the spectra collected for the polar and nonpolar fractions, respectively. The bands assigned to peroxide, epoxy, tertiary alcohols and fatty acids were clearly observed in the spectra of the polar fraction while they are not noticeable in the spectra of the oils.La espectroscopía de infrarrojos por transformada de Fourier (FTIR se ha propuesto para estudiar la degradación de los aceites de oliva vírgenes (AOV sujetas a termoxidación. Las fracciones polares y no polares de aceites oxidados se analizaron mediante FTIR para obtener más información sobre los cambios espectrales menores que tienen lugar durante la termoxidación. Esa información ayuda en la interpretación de los espectros de las muestras puras. Con este objetivo, fracciones polares y no polares de 47 AOV termoxidados (190 °C en una freidora se analizaron mediante FTIR. La banda asignada a dobles enlaces cis se explica por su correlación con la disminución de ácido oleico (R2-ajustado=0,93. Las bandas asignadas a los grupos hidroxilos y del primer sobretono de los grupos éster se estudió mejor en los espectros recogidos para la fracción polar y no polar, respectivamente. Grupos asignados a per

FT-IR spectroscopic studies of protein secondary structures for breast cancer diagnosis

International Nuclear Information System (INIS)

Karamancheva, I; Simonova, D.; Milev, A.

2013-01-01

Full text: Roughly 14 million new cancer cases and 8 million cancer deaths have occurred worldwide in 2012. At least 30 % of all cancer cases and 40 % of the cancer deaths should be avoided by improving the early detection. Fourier transform infrared (FT-IR) spectroscopy has shown many advantages as a tool for the detection of cancer over the traditional methods such as histopathological analysis, X-ray transmission, ultrasonic and computer tomography techniques. With the aim to establish the FT-IR spectroscopy as an alternative method for the diagnosis of human cancers, we have made several studies to examine in details the spectroscopic properties of normal and carcinomatous tissues. Human breast tissues were obtained immediately after surgical breast resection with the informed patient's consent. In our studies we made extensive use of Fourier self-deconvolution, second-order derivatization, difference spectra, curve-fitting procedures and quantitative determinations according to Beer's law. Cancer is a multi-step process. Characteristic differences in both the frequencies and the intensity ratios of several bands have been revealed. Considerable differences have been found in the spectral patterns. The most important and informative region in the mid-IR for determination of protein secondary structure is the amide I and amide II region. The bands between 1730 and 1600 cm -1 are highly sensitive to conformational changes. Considerable changes were observed in the A1735/A1652 absorbance ratio, which provides a measure for the content of a- helix and P-sheet domains. Our investigations have shown that the major biomarker peaks are in the amide I and amide II regions. In the so called 'fingerprint region' many molecular constituents such as lipids, phospholipids, proteins, DNA and RNA, carbohydrates and metabolites may overlap and the quantitative interpretation is impossible. The spectrum may therefore reflect only the average biochemical composition.; key words

Detection and quantification of poliovirus infection using FTIR spectroscopy and cell culture

Directory of Open Access Journals (Sweden)

Lee-Montiel Felipe T

2011-12-01

Full Text Available Abstract Background In a globalized word, prevention of infectious diseases is a major challenge. Rapid detection of viable virus particles in water and other environmental samples is essential to public health risk assessment, homeland security and environmental protection. Current virus detection methods, especially assessing viral infectivity, are complex and time-consuming, making point-of-care detection a challenge. Faster, more sensitive, highly specific methods are needed to quantify potentially hazardous viral pathogens and to determine if suspected materials contain viable viral particles. Fourier transform infrared (FTIR spectroscopy combined with cellular-based sensing, may offer a precise way to detect specific viruses. This approach utilizes infrared light to monitor changes in molecular components of cells by tracking changes in absorbance patterns produced following virus infection. In this work poliovirus (PV1 was used to evaluate the utility of FTIR spectroscopy with cell culture for rapid detection of infective virus particles. Results Buffalo green monkey kidney (BGMK cells infected with different virus titers were studied at 1 - 12 hours post-infection (h.p.i.. A partial least squares (PLS regression method was used to analyze and model cellular responses to different infection titers and times post-infection. The model performs best at 8 h.p.i., resulting in an estimated root mean square error of cross validation (RMSECV of 17 plaque forming units (PFU/ml when using low titers of infection of 10 and 100 PFU/ml. Higher titers, from 103 to 106 PFU/ml, could also be reliably detected. Conclusions This approach to poliovirus detection and quantification using FTIR spectroscopy and cell culture could potentially be extended to compare biochemical cell responses to infection with different viruses. This virus detection method could feasibly be adapted to an automated scheme for use in areas such as water safety monitoring and

Chemical fingerprinting of Arabidopsis using Fourier transform infrared (FT-IR) spectroscopic approaches.

Science.gov (United States)

Gorzsás, András; Sundberg, Björn

2014-01-01

Fourier transform infrared (FT-IR) spectroscopy is a fast, sensitive, inexpensive, and nondestructive technique for chemical profiling of plant materials. In this chapter we discuss the instrumental setup, the basic principles of analysis, and the possibilities for and limitations of obtaining qualitative and semiquantitative information by FT-IR spectroscopy. We provide detailed protocols for four fully customizable techniques: (1) Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS): a sensitive and high-throughput technique for powders; (2) attenuated total reflectance (ATR) spectroscopy: a technique that requires no sample preparation and can be used for solid samples as well as for cell cultures; (3) microspectroscopy using a single element (SE) detector: a technique used for analyzing sections at low spatial resolution; and (4) microspectroscopy using a focal plane array (FPA) detector: a technique for rapid chemical profiling of plant sections at cellular resolution. Sample preparation, measurement, and data analysis steps are listed for each of the techniques to help the user collect the best quality spectra and prepare them for subsequent multivariate analysis.

[FTIR study on the normal and cancerous stomach tissues].

Science.gov (United States)

Tong, Y; Lin, Y

2001-06-01

Tissues of cancerous and corresponding normal stomach were studied by FTIR technique. The results showed that there are obvious differences between FTIR spectra of them in spectral parameters such as frequency, intensity and band shape etc. The changes involving the phosphate symmetric stretching nu s, PO2- and asymmetric stretching nu as, PO2- modes, the CH3 and CH2 groups stretching (nu s, CH2, nu as, CH3) and bending (delta CH2) modes and the C-O stretching nu C-O mode were discussed. In addition, the changes of structure of hydrogen-bonding of nucleic acid and cell proteins and the packing and the conformational structure of the membrance lipids were analysed further. The average wavenumber of band of nu s, PO2- shifted from 1,080.92 cm-1 to 1,085.93 cm-1 and that of nu as, PO2- shifted from 1,239.64 cm-1 to 1,238.73 cm-1 which indicated that the degree of hydrogen-bonding formed by oxygen atom of the phosphodiester groups of nucleic acids was increased. The average wavenumber of band of delta CH2 of membrance lipids shifted from 1,455.23 cm-1 to 1,457.37 cm-1 that suggested that the conformational structure of the methylene chains of membrance lipids is more disordered than in normal tissues. The shift of band of nu C-O of cell proteins from 1,166.08 cm-1 to 1,166.58 cm-1 indicated that the hydrogen-bond of cell proteins become weaker.

Heavy fuel oil pyrolysis and combustion: kinetics and evolved gases investigated by TGA-FTIR

KAUST Repository

Abdul Jameel, Abdul Gani; Han, Yunqing; Brignoli, Omar; Telalovic, Selvedin; Elbaz, Ayman M.; Im, Hong G.; Roberts, William L.; Sarathy, Mani

2017-01-01

investigated using non-isothermal thermo-gravimetric analysis (TGA) coupled with a Fourier-transform infrared (FTIR) spectrometer. TG and DTG (differential thermo-gravimetry) were used for the kinetic analysis and to study the mass loss characteristics due

FTIR-Microscopy Of Organic Microphases In Pharaonic Mummy Hair Samples

Science.gov (United States)

Kellner, Robert A.; Minich, Ch.; Iskander, N.; Khater, M. M.

1989-12-01

In this paper a unique application of FTIR-microscopy to problem solving in archeometry - the identification of preservatives in egyptian mummy hair samples from the 21st dynasty (1080 - 946 B.C.) is described. The precious samples were gently pressed into the surface of pure KBr-disks and the local distribution of dammar, tragacanth and myrrha determined. It was furthermore shown that the IR-microscopic approach gives very reliable data due to its relative freedom of contaminations as compared to extraction procedures.

Glycation and secondary conformational changes of human serum albumin: study of the FTIR spectroscopic curve-fitting technique

Directory of Open Access Journals (Sweden)

Yu-Ting Huang

2016-05-01

Full Text Available The aim of this study was attempted to investigate both the glycation kinetics and protein secondary conformational changes of human serum albumin (HSA after the reaction with ribose. The browning and fluorescence determinations as well as Fourier transform infrared (FTIR microspectroscopy with a curve-fitting technique were applied. Various concentrations of ribose were incubated over a 12-week period at 37 ± 0.5 oC under dark conditions. The results clearly shows that the glycation occurred in HSA-ribose reaction mixtures was markedly increased with the amount of ribose used and incubation time, leading to marked alterations of protein conformation of HSA after FTIR determination. In addition, the browning intensity of reaction solutions were colored from light to deep brown, as determined by optical observation. The increase in fluorescence intensity from HSA–ribose mixtures seemed to occur more quickly than browning, suggesting that the fluorescence products were produced earlier on in the process than compounds causing browning. Moreover, the predominant α-helical composition of HSA decreased with an increase in ribose concentration and incubation time, whereas total β-structure and random coil composition increased, as determined by curve-fitted FTIR microspectroscopy analysis. We also found that the peak intensity ratios at 1044 cm−1/1542 cm−1 markedly decreased prior to 4 weeks of incubation, then almost plateaued, implying that the consumption of ribose in the glycation reaction might have been accelerated over the first 4 weeks of incubation, and gradually decreased. This study first evidences that two unique IR peaks at 1710 cm−1 [carbonyl groups of irreversible products produced by the reaction and deposition of advanced glycation end products (AGEs] and 1621 cm−1 (aggregated HSA molecules were clearly observed from the curve-fitted FTIR spectra of HSA-ribose mixtures over the course of incubation time. This study

Study of energetic-particle-irradiation induced biological effect on Rhizopus oryzae through synchrotron-FTIR micro-spectroscopy

Science.gov (United States)

Liu, Jinghua; Qi, Zeming; Huang, Qing; Wei, Xiaoli; Ke, Zhigang; Fang, Yusheng; Tian, Yangchao; Yu, Zengliang

2013-01-01

Energetic particles exist ubiquitously and cause varied biological effects such as DNA strand breaks, lipid peroxidation, protein modification, cell apoptosis or death. An emerging biotechnology based on ion-beam technique has been developed to serve as an effective tool for mutation breeding of crops and microbes. In order to improve the effectiveness of ion-beam biotechnology for mutation breeding, it is indispensible to gain a better understanding of the mechanism of the interactions between the energetic ions and biological systems which is still elusive. A new trend is to conduct more comprehensive research which is based on micro-scaled observation of the changes of the cellular structures and compositions under the interactions. For this purpose, advanced synchrotron FTIR (s-FTIR) microscopy was employed to monitor the cellular changes of single fungal hyphae under irradiation of α-particles from 241Am. Intracellular contents of ROS, MDA, GSSG/GSH and activities of CAT and SOD were measured via biochemical assay. Ion-irradiation on Rhizopus oryzae causes localized vacuolation, autolysis of cell wall and membrane, lipid peroxidation, DNA damage and conformational changes of proteins, which have been clearly revealed by the s-FTIR microspectroscopy. The different changes of cell viability, SOD and CAT activities can be explained by the ROS-involved chemical reactions. Evidently, the elevated level of ROS in hyphal cells upon irradiation plays the key role in the caused biological effect. This study demonstrates that s-FTIR microspectroscopy is an effective tool to study the damage of fungal hyphae caused by ionizing radiation and it facilitates the exploit of the mechanism for the interactions between the energetic ions and biological systems.

FT-IR spectroscopic analyses of 2-(2-furanylmethylene) propanedinitrile

Science.gov (United States)

Soliman, H. S.; Eid, Kh. M.; Ali, H. A. M.; El-Mansy, M. A. M.; Atef, S. M.

2013-03-01

In the present work, a computational study for the optimized molecular structural parameters, thermo-chemical parameters, total dipole moment, HOMO-LUMO energy gap and a combined experimental and computational study for FT-IR spectra for 2-(2-furanylmethylene) propanedinitrile have been investigated using B3LYP utilizing 6-31G and 6-311G basis set. Our calculated results showed that the investigated compound possesses a dipole moment of 7.5 D and HOMO-LUMO energy gap of 3.92 eV using B3LYP/6-311G which indicates that our investigated compound is highly applicable for photovoltaic solar cell applications.

Tracking chemical changes in a live cell: Biomedical applications of SR-FTIR spectromicroscopy

International Nuclear Information System (INIS)

Holman, Hoi-Ying N.; Martin, Michael C.; McKinney, Wayne R.

2002-01-01

Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging bioanalytical and imaging tool. This unique technique provides mid-infrared (IR) spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Thus it enables researchers to locate, identify, and track specific chemical events within an individual living mammalian cell. Mid-IR photons are too low in energy (0.05 - 0.5 eV) to either break bonds or to cause ionization. In this review, we show that the synchrotron IR beam has no detectable effects on the short- and long-term viability, reproductive integrity, cell-cycle progression, and mitochondrial metabolism in living human cells, and produces only minimal sample heating (< 0.5 degrees C). We will then present several examples demonstrating the application potentials of SR-FTIR spectromicroscopy in biomedical research. These will include monitoring living cells progressing through the cell cycle, including death, and cells reacting to dilute concentrations of toxins

Tracking chemical changes in a live cell: Biomedical applications of SR-FTIR spectromicroscopy

Energy Technology Data Exchange (ETDEWEB)

Holman, Hoi-Ying N.; Martin, Michael C.; McKinney, Wayne R.

2002-07-25

Synchrotron radiation-based Fourier transform infrared (SR-FTIR) spectromicroscopy is a newly emerging bioanalytical and imaging tool. This unique technique provides mid-infrared (IR) spectra, hence chemical information, with high signal-to-noise at spatial resolutions as fine as 3 to 10 microns. Thus it enables researchers to locate, identify, and track specific chemical events within an individual living mammalian cell. Mid-IR photons are too low in energy (0.05 - 0.5 eV) to either break bonds or to cause ionization. In this review, we show that the synchrotron IR beam has no detectable effects on the short- and long-term viability, reproductive integrity, cell-cycle progression, and mitochondrial metabolism in living human cells, and produces only minimal sample heating (< 0.5 degrees C). We will then present several examples demonstrating the application potentials of SR-FTIR spectromicroscopy in biomedical research. These will include monitoring living cells progressing through the cell cycle, including death, and cells reacting to dilute concentrations of toxins.

Ion-induced molecular emission of polymers: analytical potentialities of FTIR and mass spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Picq, V.; Balanzat, E. E-mail: balanzat@ganil.fr

1999-05-02

The release of small gaseous molecules is a general phenomenon of irradiated polymers. Polyethylene (PE), polypropylene (PP) and polybutene (PB) were irradiated with ions of different electronic stopping power. We show that the gas emission can provide important information on the damage process if a reliable chemical identification of the molecules released and accurate yield values are obtained. The outgassing products were analysed by two techniques: (1) by a novel set-up using a Fourier Transform Infrared (FTIR) analysis of the gas mixture released from the polymer film and (2) by residual gas analysis (RGA) with a quadrupole mass spectrometer. Comparing the analytical potentialities of both methods we come to the conclusion that the FTIR method gives a more straightforward and accurate determination of the chemical nature and of the yield of most of the released molecules. However, RGA provides complementary information on the gas release kinetics and also on the release of heavy hydrocarbon molecules and symmetric molecules like molecular hydrogen.

Development of a method for determination of fatty acid using FT-IR spectroscopy

Directory of Open Access Journals (Sweden)

Dimas Augusto Morozin Zaia

2011-05-01

Full Text Available In the present paper a new methodology has been developed for determination of fatty acids in biological systems using FT-IR spectroscopy. For this method is not necessary chromophore reagent or pre sample preparation. Palmitic acid was chosen as standard, because it is found in several biological systems. The FT-IR spectrum of palmitic acid showed two absorption bands in the region of 2852 and 2920 cm-1 attributed to CH stretching. The results for these bands showed that the Beer-Lambert Law was followed in wide range of concentration of palmitic acid (14 to 257 mmol L-1. Potassium ferricyanide (K3[Fe(CN6] was used as internal standard. Several interferents were tested and only cholesterol, ferric chloride (higher concentration, mixture of amino acids for the band at 2919 cm-1 (higher concentration and triglyceride could be interferent if they appear in high concentration. Thus, this new methodology has advantage to be not expensive and simple.

Preliminary study of corrosion mechanisms of actinides alloys: calibration of FT-IR spectroscopy

International Nuclear Information System (INIS)

Magnien, Veronique; Cadignan, Marx; Faivret, Olivier; Rosa, Gaelle

2008-01-01

In situ analyzes of gaseous atmospheres could be performed by FT-IR spectroscopy in order to study the corrosion reactions of actinides. Nevertheless experimental conditions and the nature of studied species have a strong effect on IR absorption laws. Thus a prior calibration of our set-up is required to obtain an accurate estimation of gas concentration. For this purpose, the behavior of several air pure gases has been investigated according to their concentration from IR spectra. Reproducible results revealed subsequent increases of the most significant peak areas with gas pressure and small deviations from Beer Lambert's law. This preliminary work allowed to determine precise absorption laws for each studied pure gas in our in situ experimental conditions. Besides our FT-IR set-up was well suitable to quantitative analysis of gaseous atmosphere during corrosion reactions. Finally the effect of foreign gas will be investigated through more complex air mixtures to obtain a complete calibration network. (authors)

Postprocessing Algorithm for Driving Conventional Scanning Tunneling Microscope at Fast Scan Rates.

Science.gov (United States)

Zhang, Hao; Li, Xianqi; Chen, Yunmei; Park, Jewook; Li, An-Ping; Zhang, X-G

2017-01-01

We present an image postprocessing framework for Scanning Tunneling Microscope (STM) to reduce the strong spurious oscillations and scan line noise at fast scan rates and preserve the features, allowing an order of magnitude increase in the scan rate without upgrading the hardware. The proposed method consists of two steps for large scale images and four steps for atomic scale images. For large scale images, we first apply for each line an image registration method to align the forward and backward scans of the same line. In the second step we apply a "rubber band" model which is solved by a novel Constrained Adaptive and Iterative Filtering Algorithm (CIAFA). The numerical results on measurement from copper(111) surface indicate the processed images are comparable in accuracy to data obtained with a slow scan rate, but are free of the scan drift error commonly seen in slow scan data. For atomic scale images, an additional first step to remove line-by-line strong background fluctuations and a fourth step of replacing the postprocessed image by its ranking map as the final atomic resolution image are required. The resulting image restores the lattice image that is nearly undetectable in the original fast scan data.

Postprocessing Algorithm for Driving Conventional Scanning Tunneling Microscope at Fast Scan Rates

Directory of Open Access Journals (Sweden)

Hao Zhang

2017-01-01

Full Text Available We present an image postprocessing framework for Scanning Tunneling Microscope (STM to reduce the strong spurious oscillations and scan line noise at fast scan rates and preserve the features, allowing an order of magnitude increase in the scan rate without upgrading the hardware. The proposed method consists of two steps for large scale images and four steps for atomic scale images. For large scale images, we first apply for each line an image registration method to align the forward and backward scans of the same line. In the second step we apply a “rubber band” model which is solved by a novel Constrained Adaptive and Iterative Filtering Algorithm (CIAFA. The numerical results on measurement from copper(111 surface indicate the processed images are comparable in accuracy to data obtained with a slow scan rate, but are free of the scan drift error commonly seen in slow scan data. For atomic scale images, an additional first step to remove line-by-line strong background fluctuations and a fourth step of replacing the postprocessed image by its ranking map as the final atomic resolution image are required. The resulting image restores the lattice image that is nearly undetectable in the original fast scan data.

Scanning tunneling microscopy II further applications and related scanning techniques

CERN Document Server

Güntherodt, Hans-Joachim

1995-01-01

Scanning Tunneling Microscopy II, like its predecessor, presents detailed and comprehensive accounts of the basic principles and broad range of applications of STM and related scanning probe techniques. The applications discussed in this volume come predominantly from the fields of electrochemistry and biology. In contrast to those described in STM I, these studies may be performed in air and in liquids. The extensions of the basic technique to map other interactions are described in chapters on scanning force microscopy, magnetic force microscopy, and scanning near-field optical microscopy, together with a survey of other related techniques. Also described here is the use of a scanning proximal probe for surface modification. Together, the two volumes give a comprehensive account of experimental aspects of STM. They provide essential reading and reference material for all students and researchers involved in this field. In this second edition the text has been updated and new methods are discussed.

TG-FTIR Study of the Influence of potassium Chloride on Wheat Straw Pyrolysis

DEFF Research Database (Denmark)

Jensen, Anker; Dam-Johansen, Kim; Wójtowicz, M.A.

1998-01-01

of products into char, tar and gas. In this work, a combination of thermogravimetry and evolved gas analysis by Fourier transform infrared analysis (TG-FTIR) has been applied to study the influence of potassium chloride (KCl) on wheat straw pyrolysis. Raw straw, washed straw and washed straw impregnated...

Unobtrusive Deception Detection

NARCIS (Netherlands)

Elkins, Aaron; Zafeiriou, Stefanos; Pantic, Maja; Burgoon, Judee; Calvo, Rafael; D' Mello, Sidney; Gratch, Jonathan; Kappas, Arvid

In response to national security needs and human deception detection limitations paired with advances in sensor and computing technology research into automated deception detection has increased in recent years. These technologies rely on psychological and communication theories of deception to

Unobtrusive graphene coatings

NARCIS (Netherlands)

Mugele, Friedrich Gunther

2012-01-01

The contact angle of water drops on substrates for which the wettability is dominated by van der Waals forces remains unchanged when the substrates are coated with a monolayer of graphene. Such 'wetting transparency' could lead to superior conducting and hydrophobic graphene-coated surfaces with

[Characterization of kale (Brassica oberacea var acephala) under thallium stress by in situ attenuated total reflection FTIR].

Science.gov (United States)

Yao, Yan; Zhang, Ping; Wang, Zhen-Chun; Chen, Yong-Heng

2009-01-01

The experiment was designed based on consumption of carbon dioxide through the photosynthesis of Brassica oberacea var acephala leaf, and the photosynthesis of kale leaf under thallium stress was investigated by in situ attenuated total reflection FTIR (in situ ATR-FTIR). The ATR-FTIR showed that the absorption peaks of leaves had no obvious difference between plants growing in thallium stress soil and plants growing in non-thallium pollution soil, and the strong peaks at 3,380 cm(-1) could be assigned to the absorption of water, carbohydrate, protein or amide; the strong peaks at 2,916 and 2,850 cm(-1) assigned to the absorption of carbohydrate or aliphatic compound; the peaks at 1,640 cm(-1) assigned to the absorption of water. However, as detected by the in situ ATR-FTIR, the double peaks (negative peaks) at 2,360 and 2,340 cm(-1) that are assigned to the absorption of CO2 appeared and became high gradually. It was showed that kale was carrying photosynthesis. At the same time, the carbon dioxide consumption speed of leaf under thallium stress was obviously larger than that of the blank It was expressed that photosynthesis under thallium stress was stronger than the blank All these represented that kale had certain tolerance to the heavy metal thallium. Meanwhile, the carbon dioxide consumption of grown-up leaf was more than that of young leaf whether or not under thallium stress. It was also indicated that the intensity of photosynthesis in grown-up leaf is higher than that in young leaf.

Application of Fourier-transform infrared (FT-IR) spectroscopy for simple and easy determination of chylomicron-triglyceride and very low density lipoprotein-triglyceride.

Science.gov (United States)

Sato, Kenichi; Seimiya, Masanori; Kodera, Yoshio; Kitamura, Akihide; Nomura, Fumio

2010-02-01

Fourier-transform infrared (FT-IR) spectroscopy is a simple and reagent-free physicochemical analysis method, and is a potential alternative to more time-consuming and labor-intensive procedures. In this study, we aimed to use FT-IR spectroscopy to determine serum concentrations of chylomicron-triglyceride (TG) and very low density lipoprotein (VLDL)-TG. We analyzed a chylomicron fraction and VLDL fraction, which had been obtained by ultracentrifugation, to search for wavelengths to designate to each fraction. Then, partial least square (PLS) calibrations were developed using a training set of samples, for which TG concentrations had been determined by conventional procedures. Validation was conducted with another set of samples using the PLS model to predict serum TG concentrations on the basis of the samples' IR spectra. We analyzed a total of 150 samples. Serum concentrations of chylomicron-TG and VLDL-TG estimated by FT-IR spectroscopy agreed well with those obtained by the reference method (r=0.97 for both lipoprotein fractions). FT-IR spectrometric analysis required 15mul of serum and was completed within 1min. Serum chylomicron-TG and VLDL-TG concentrations can be determined with FT-IR spectroscopy. This rapid and simple test may have a great impact on the management of patients with dyslipidemia. Copyright 2009. Published by Elsevier B.V.

Cooperative scans

NARCIS (Netherlands)

M. Zukowski (Marcin); P.A. Boncz (Peter); M.L. Kersten (Martin)

2004-01-01

textabstractData mining, information retrieval and other application areas exhibit a query load with multiple concurrent queries touching a large fraction of a relation. This leads to individual query plans based on a table scan or large index scan. The implementation of this access path in most

A High Rigidity and Precision Scanning Tunneling Microscope with Decoupled XY and Z Scans.

Science.gov (United States)

Chen, Xu; Guo, Tengfei; Hou, Yubin; Zhang, Jing; Meng, Wenjie; Lu, Qingyou

2017-01-01

A new scan-head structure for the scanning tunneling microscope (STM) is proposed, featuring high scan precision and rigidity. The core structure consists of a piezoelectric tube scanner of quadrant type (for XY scans) coaxially housed in a piezoelectric tube with single inner and outer electrodes (for Z scan). They are fixed at one end (called common end). A hollow tantalum shaft is coaxially housed in the XY -scan tube and they are mutually fixed at both ends. When the XY scanner scans, its free end will bring the shaft to scan and the tip which is coaxially inserted in the shaft at the common end will scan a smaller area if the tip protrudes short enough from the common end. The decoupled XY and Z scans are desired for less image distortion and the mechanically reduced scan range has the superiority of reducing the impact of the background electronic noise on the scanner and enhancing the tip positioning precision. High quality atomic resolution images are also shown.

A High Rigidity and Precision Scanning Tunneling Microscope with Decoupled XY and Z Scans

Directory of Open Access Journals (Sweden)

Xu Chen

2017-01-01

Full Text Available A new scan-head structure for the scanning tunneling microscope (STM is proposed, featuring high scan precision and rigidity. The core structure consists of a piezoelectric tube scanner of quadrant type (for XY scans coaxially housed in a piezoelectric tube with single inner and outer electrodes (for Z scan. They are fixed at one end (called common end. A hollow tantalum shaft is coaxially housed in the XY-scan tube and they are mutually fixed at both ends. When the XY scanner scans, its free end will bring the shaft to scan and the tip which is coaxially inserted in the shaft at the common end will scan a smaller area if the tip protrudes short enough from the common end. The decoupled XY and Z scans are desired for less image distortion and the mechanically reduced scan range has the superiority of reducing the impact of the background electronic noise on the scanner and enhancing the tip positioning precision. High quality atomic resolution images are also shown.

Special raster scanning for reduction of charging effects in scanning electron microscopy.

Science.gov (United States)

Suzuki, Kazuhiko; Oho, Eisaku

2014-01-01

A special raster scanning (SRS) method for reduction of charging effects is developed for the field of SEM. Both a conventional fast scan (horizontal direction) and an unusual scan (vertical direction) are adopted for acquiring raw data consisting of many sub-images. These data are converted to a proper SEM image using digital image processing techniques. About sharpness of the image and reduction of charging effects, the SRS is compared with the conventional fast scan (with frame-averaging) and the conventional slow scan. Experimental results show the effectiveness of SRS images. By a successful combination of the proposed scanning method and low accelerating voltage (LV)-SEMs, it is expected that higher-quality SEM images can be more easily acquired by the considerable reduction of charging effects, while maintaining the resolution. © 2013 Wiley Periodicals, Inc.

[Quantification of Wood Flour and Polypropylene in Chinese Fir/Polypropylene Composites by FTIR].

Science.gov (United States)

Lao, Wan-li; Li, Gai-yun; Zhou, Qun; Qin, Te-fu

2015-06-01

The ratio of wood and plastic in Wood Plastic Composites (WPCss) influences quality and price, but traditional thermochemical methods cannot rapidly and accurately quantify the ratio of wood/PP in WPCss. This paper was addressed to investigate the feasibility of quantifying the wood flour content and plastic content in WPCss by Fourier Transform Infrared (FTIR) spectroscopy. With Chinese fir, polypropylene (PP) and other additives as raw materials, 13 WPCs samples with different wood flour contents, ranging from 9.8% to 61.5%, were prepared by modifying wood flour, mixing materials and extrusion pelletizing. The samples were analyzed by FTIR with the KBr pellets technique. The absorption peaks of WPCss at 1059, 1 033 and 1 740 cm(-1) are considered as characteristic of Chinese fir, and the absorption peaks at 1 377, 2 839 and 841 cm(-1) are typical of PP by comparing the spectra of WPCss with that of Chinese fir, PP and other additives. The relationship between the wood flour content, PP content in WPCss and their characteristic IR peaks height ratio was established. The results show that there is a strong linear correlation between the wood flour content in WPCss and I1 059/l 1 377/I1 033, /I1377, R2 are 0.992 and 0.993 respectively; there is a high linear correlation between the PP content in WPCss and I1 377/I1 740, I2 839 /I1 740 R2 are 0.985 and 0.981, respectively. Quantitative methods of the wood flour content and PP content in WPCss by FTIR were developed, the predictive equations of the wood flour content in WPCss are y = 53.297x-9. 107 and y = 55.922x-10.238, the predictive equations of the PP content in WPCss are y = 6.828 5x+5.403 6 and y = 8.719 7x+3.295 8. The results of the accuracy test and precision test show that the method has strong repeatability and high accuracy. The average prediction relative deviations of the wood flour content and PP content in WPCss are about 5%. The prediction accuracy has been improved remarkably, compared to

FT-IR study of gamma-radiation induced degradation of polyvinyl alcohol (PVA) and PVA/humic acids blends

International Nuclear Information System (INIS)

Ilcin, M.; Hola, O.; Bakajova, B.; Kucerik, J.

2010-01-01

Samples of pure polyvinyl alcohol (PVA) and PVA doped with humic acids were exposed to gamma radiation. Gamma rays induced the degradation of the pure polymer. Degradation changes were observed using ATR FT-IR equipment. Dehydration, double bond creation, and their subsequent oxidation (surrounding atmosphere was air) were found out. Also, other degradation reactions (e.g. chain scission, cyclization) occur simultaneously. Formation of C=C and C=O bonds is apparent from FT-IR spectra. In contrast the presence of humic acids in the PVA sample showed stabilizing effect on PVA structure within the concentration range 0.5-10%. (author)

FTIR Drug-Polymer Interactions Studies of Perindopril Erbumine

International Nuclear Information System (INIS)

Modni, A.; Ahmad, S.; Din, I.; Hussain, Z.

2014-01-01

The present study was carried out to prepare different combinations of Perindopril Erbumine with different polymers like Hydroxy propyl methyl cellulose, Hydroxy propyl methyl cellulose K4M, Hydroxy propyl methyl cellulose K15M, Xanthan gum and Ethyl cellulose, thereby to determine any possible interactions between Perindopril erbumine and polymers. The analytical technique Fourier Transform Infrared (FTIR) spectroscopy was used to take spectra of individual drug, polymers and combination of drug with polymers. The results were analyzed to find out any interactions of Perindopril erbumine and polymers. From this study it was concluded that there were no any significant changes in characteristic peaks of drug after combinations with polymers which indicated no interaction between Perindopril erbumine and polymers. (author)

Combining FT-IR spectroscopy and multivariate analysis for qualitative and quantitative analysis of the cell wall composition changes during apples development.

Science.gov (United States)

Szymanska-Chargot, M; Chylinska, M; Kruk, B; Zdunek, A

2015-01-22

The aim of this work was to quantitatively and qualitatively determine the composition of the cell wall material from apples during development by means of Fourier transform infrared (FT-IR) spectroscopy. The FT-IR region of 1500-800 cm(-1), containing characteristic bands for galacturonic acid, hemicellulose and cellulose, was examined using principal component analysis (PCA), k-means clustering and partial least squares (PLS). The samples were differentiated by development stage and cultivar using PCA and k-means clustering. PLS calibration models for galacturonic acid, hemicellulose and cellulose content from FT-IR spectra were developed and validated with the reference data. PLS models were tested using the root-mean-square errors of cross-validation for contents of galacturonic acid, hemicellulose and cellulose which was 8.30 mg/g, 4.08% and 1.74%, respectively. It was proven that FT-IR spectroscopy combined with chemometric methods has potential for fast and reliable determination of the main constituents of fruit cell walls. Copyright © 2014 Elsevier Ltd. All rights reserved.

A high-throughput FTIR spectroscopy approach to assess adaptive variation in the chemical composition of pollen.

Science.gov (United States)

Zimmermann, Boris; Bağcıoğlu, Murat; Tafinstseva, Valeria; Kohler, Achim; Ohlson, Mikael; Fjellheim, Siri

2017-12-01

The two factors defining male reproductive success in plants are pollen quantity and quality, but our knowledge about the importance of pollen quality is limited due to methodological constraints. Pollen quality in terms of chemical composition may be either genetically fixed for high performance independent of environmental conditions, or it may be plastic to maximize reproductive output under different environmental conditions. In this study, we validated a new approach for studying the role of chemical composition of pollen in adaptation to local climate. The approach is based on high-throughput Fourier infrared (FTIR) characterization and biochemical interpretation of pollen chemical composition in response to environmental conditions. The study covered three grass species, Poa alpina , Anthoxanthum odoratum , and Festuca ovina . For each species, plants were grown from seeds of three populations with wide geographic and climate variation. Each individual plant was divided into four genetically identical clones which were grown in different controlled environments (high and low levels of temperature and nutrients). In total, 389 samples were measured using a high-throughput FTIR spectrometer. The biochemical fingerprints of pollen were species and population specific, and plastic in response to different environmental conditions. The response was most pronounced for temperature, influencing the levels of proteins, lipids, and carbohydrates in pollen of all species. Furthermore, there is considerable variation in plasticity of the chemical composition of pollen among species and populations. The use of high-throughput FTIR spectroscopy provides fast, cheap, and simple assessment of the chemical composition of pollen. In combination with controlled-condition growth experiments and multivariate analyses, FTIR spectroscopy opens up for studies of the adaptive role of pollen that until now has been difficult with available methodology. The approach can easily be

Validation and application of FTIR spectroscopy in raw milk analysis

Directory of Open Access Journals (Sweden)

Kučević Denis S.

2017-01-01

Full Text Available The aim of this study was to investigate whether FTIR spectroscopy is an accurate and valid technique for the assessment of quality parameters in raw cow's milk: fat, protein, lactose, and total solids. The assessment was based on calibration series and comparison with reference material. Furthermore, it takes into account the results obtained in the inter-laboratory comparisons (proficiency testing. The calibration samples were purchased from the accredited regional reference laboratories. The validation parameters included linearity, accuracy, repeatability, reproducibility, and robustness. The linearity ratio was 0.95%. The biases calculated for the fat, protein, lactose and dry matter were -0.33, 0.31, -0.25, and 0.06 respectively. The F value from the F-test was used to determine the significant differences between two independent sets of the results. The obtained results were as follows: 1.469 for fat, 1.634 for protein, 1.192 for lactose, and 0.528 for dry matter. The intra-laboratory reproducibility calculated as the Horwitz Ratios for all parameters were within the criterion limits (0.5 to 0.8. The data obtained for carry-over were 0.27% for fat, 0.52% for protein, 0.47% for lactose, and 0.47% for dry matter. Based on the obtained results it can be concluded that the FTIR spectroscopy is a reliable instrumental technique for the determination of fat, protein, lactose and total solids in raw cow's milk.

Scan path entropy and Arrow plots: Capturing scanning behavior of multiple observers

Directory of Open Access Journals (Sweden)

Ignace T C Hooge

2013-12-01

Full Text Available Designers of visual communication material want their material to attract and retain attention. In marketing research, heat maps, dwell time, and time to AOI first hit are often used as evaluation parameters. Here we present two additional measures 1 scan path entropy to quantify gaze guidance and 2 the arrow plot to visualize the average scan path. Both are based on string representations of scan paths. The latter also incorporates transition matrices and time required for 50% of the observers to first hit AOIs (T50. The new measures were tested in an eye tracking study (48 observers, 39 advertisements. Scan path entropy is a sensible measure for gaze guidance and the new visualization method reveals aspects of the average scan path and gives a better indication in what order global scanning takes place.

Study of cancer cell lines with Fourier transform infrared (FTIR)/vibrational absorption (VA) spectroscopy

DEFF Research Database (Denmark)

Uceda Otero, E. P.; Eliel, G. S. N.; Fonseca, E. J. S.

2013-01-01

In this work we have used Fourier transform infrared (FTIR) / vibrational absorption (VA) spectroscopy to study two cancer cell lines: the Henrietta Lacks (HeLa) human cervix carcinoma and 5637 human bladder carcinoma cell lines. Our goal is to experimentally investigate biochemical changes...

The function of prehistoric lithic tools: a combined study of use-wear analysis and FTIR microspectroscopy.

Science.gov (United States)

Nunziante Cesaro, Stella; Lemorini, Cristina

2012-02-01

The application of combined use-wear analysis and FTIR micro spectroscopy for the investigation of the flint and obsidian tools from the archaeological sites of Masseria Candelaro (Foggia, Italy) and Sant'Anna di Oria (Brindisi, Italy) aiming to clarify their functional use is described. The tools excavated in the former site showed in a very high percentage spectroscopically detectable residues on their working edges. The identification of micro deposits is based on comparison with a great number of replicas studied in the same experimental conditions. FTIR data confirmed in almost all cases the use-wear analysis suggestions and added details about the material processed and about the working procedures. Copyright © 2011 Elsevier B.V. All rights reserved.

FTIR spectroscopy measurements and CFD simulations of the pollutants arising from unflued combustion in a room

International Nuclear Information System (INIS)

Chen, J.; Fletcher, D.F.; Haynes, B.S.; Duffy, B.; Nelson, P.

2001-01-01

This paper reports on a study of indoor air quality in a simulated kitchen environment. Combustion products from unflued combustion from a gas cook-top in a ventilated room were measured using an extractive FTIR technique. Results were compared with those from conventional instruments and the FTIR technique was shown to give good agreement. Detection limits and the effects of H 2 O and CO 2 in obscuring the spectrum were studied. In addition, Computational Fluid Dynamics (CFD) was used to explore the conditions in the room and to assist with experimental design. This revealed a complex flow situation that can arise when the plume from the cook top interacts with the extraction hood. (Author)

Pentachlorophenol radical cations generated on Fe(III)-montmorillonite initiate octachlorodibenzo-p-dioxin formation in clays: DFT and FTIR studies

Science.gov (United States)

Gu, Cheng; Liu, Cun; Johnston, Cliff T.; Teppen, Brian J.; Li, Hui; Boyd, Stephen A.

2011-01-01

Octachlorodibenzodioxin (OCDD) forms spontaneously from pentachlorophenol (PCP) on the surfaces of Fe(III)-saturated smectite clay (1). Here, we used in situ FTIR methods and quantum mechanical calculations to determine the mechanism by which this reaction is initiated. As the clay was dehydrated, vibrational spectra showed new peaks that grew and then reversibly disappeared as the clay rehydrated. First principle DFT calculations of hydrated Fe-PCP clusters reproduced these transient FTIR peaks when inner-sphere complexation and concomitant electron transfer produced Fe(II) and PCP radical cations. Thus, our experimental (FTIR) and theoretical (quantum mechanical) results mutually support the hypothesis that OCDD formation on Fe-smectite surfaces is initiated by the reversible formation of metastable PCP radical cations via single electron transfer from PCP to Fe(III). The negatively charged clay surface apparently selects for this reaction mechanism by stabilizing PCP radical cations. PMID:21254769

Relationship to reducing sugar production and scanning electron microscope structure to pretreated hemp hurd biomass (Cannabis sativa)

Energy Technology Data Exchange (ETDEWEB)

Abraham, Reinu E.; Barrow, Colin J.; Puri, Munish

2013-11-15

Lignocellulosic biomass is a highly rigid and recalcitrant structure which requires pretreatment to loosen chemical bonds to make accessible monomeric sugars for biofuel production. In this study, locally available biomass, that is hemp (Cannabis sativa), a low cost feedstock for ethanol production, has been used for the production of fermentable sugars. Hemp hurd biomass (HHB) was exposed to five different pretreatments which included dilute acid (H{sub 2}SO{sub 4}), alkaline (NaOH), alkaline peroxide, hot water and one stage dilute acid (H{sub 2}SO{sub 4}). Different pretreatments resulted in loosening and degradation of HHB structure thus facilitating enzymatic saccharification at optimized parameters (pH–4.8 and 50 °C). The changes in the reactive groups (hydroxyl or acetyl) of the HHB were confirmed by attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Scanning electron microscopy (SEM) was employed to characterize the surface morphology of untreated and treated HHB. Finally, enzymatic saccharification demonstrated maximum yield of total sugars (743 mg g{sup −1}) that are suitable for biofuel production. -- Highlights: • Hemp hurd biomass (HHB) was used for producing fermentable sugars. • Alkaline pretreatment resulted in loosening and degradation of hemp structure. • Pretreated HHB was characterized using FTIR studies. • SEM studies evaluated the opening of fiber bundles in pretreatment, thereby increasing cellulose access to enzymes. • Enzymatic saccharification of pretreated HHB demonstrated maximum yield of reducing sugars.

Evaluation of FTIR-based analytical methods for the analysis of simulated wastes

International Nuclear Information System (INIS)

Rebagay, T.V.; Cash, R.J.; Dodd, D.A.; Lockrem, L.L.; Meacham, J.E.; Winkelman, W.D.

1994-01-01

Three FTIR-based analytical methods that have potential to characterize simulated waste tank materials have been evaluated. These include: (1) fiber optics, (2) modular transfer optic using light guides equipped with non-contact sampling peripherals, and (3) photoacoustic spectroscopy. Pertinent instrumentation and experimental procedures for each method are described. The results show that the near-infrared (NIR) region of the infrared spectrum is the region of choice for the measurement of moisture in waste simulants. Differentiation of the NIR spectrum, as a preprocessing steps, will improve the analytical result. Preliminary data indicate that prominent combination bands of water and the first overtone band of the ferrocyanide stretching vibration may be utilized to measure water and ferrocyanide species simultaneously. Both near-infrared and mid-infrared spectra must be collected, however, to measure ferrocyanide species unambiguously and accurately. For ease of sample handling and the potential for field or waste tank deployment, the FTIR-Fiber Optic method is preferred over the other two methods. Modular transfer optic using light guides and photoacoustic spectroscopy may be used as backup systems and for the validation of the fiber optic data

Characteristic Study of Shenmu Bituminous Coal Combustion with Online TG-MS-FTIR

Science.gov (United States)

Pan, Guanfu

2018-01-01

The combustion characteristics of Shenmu bituminous pulverized coal (SBC) were comprehensively investigated with a combined TG-MS-FTIR system by considering the effect of particle size, heating rate and total flowrate. The combustion products were accurately quantified by normalization and numerical analysis of MS results. The results indicate that the decrease of the particle size, heating rate and total flowrate result in lower ignition and burnout temperatures. The activation energy tends to be lower with smaller particle size, lower heating rate and total flowrate. The MS and FTIR results demonstrate that lower concentrations of different products, such as NO, NO2, HCN, CH4 and SO2 were produced with smaller particle size, slower heating rate and lower total flowrate. The decrease of particle size would lead to more contact area with oxygen and slower heating rate could provide more sufficient time for the diffusion. High total flowrate would reduce the oxygen adsorbability on the coal particle surface and shorten the residence time of oxygen, which makes the ignition difficult to occur. This work will guide to understand the combustion kinetics of pulverized coals and be beneficial to control the formation of pollutants.

FT-IR emissivity measurements of Nb melt using an electrostatic levitation furnace

International Nuclear Information System (INIS)

Sakata, K.; Watanabe, Y.; Okada, J.T.; Kumar, M.V.; Paradis, P.-F.; Ishikawa, T.

2015-01-01

Highlights: • Since molten Nb has a high melting point, its thermal properties were measured using FT-IR combined with an electrostatic levitator. • The measured ε_T of molten Nb at the melting temperature in this study was 0.29, and the C_p was calculated as 41.9 J ⋅ mol"−"1 ⋅ K"−"1. - Abstract: Total hemispherical emissivity (ε_T) and constant pressure heat capacity (C_p) of molten Nb, which has a high melting point, was measured using FT-IR combined with an electrostatic levitator. In order to heat the sample to temperatures higher than 2000 °C and avoid chemical reactions between the sample and a crucible, a containerless method was needed. By applying these methods, the measured ε_T of molten Nb at the melting temperature was 0.29, and the C_p was calculated as 41.9 J ⋅ mol"−"1 ⋅ K"−"1. Both data showed good agreement with the literature values. In addition, the result was compared with the Drude model and the difference of emissivity between Zr and Nb was discussed.

FT-IR, FT-Raman spectra and DFT calculations of melaminium perchlorate monohydrate

Science.gov (United States)

Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Renganathan, N. G.; Gunasekaran, S.; Anbalagan, G.

2013-08-01

Melaminium perchlorate monohydrate (MPM), an organic material has been synthesized by slow solvent evaporation method at room temperature. Powder X-ray diffraction analysis confirms that MPM crystal belongs to triclinic system with space group P-1. FTIR and FT Raman spectra are recorded at room temperature. Functional group assignment has been made for the melaminium cations and perchlorate anions. Vibrational spectra have also been discussed on the basis of quantum chemical density functional theory (DFT) calculations using Firefly (PC GAMESS) version 7.1 G. Vibrational frequencies are calculated and scaled values are compared with experimental values. The assignment of the bands has been made on the basis of the calculated PED. The Mulliken charges, HOMO-LUMO orbital energies are analyzed directly from Firefly program log files and graphically illustrated. HOMO-LUMO energy gap and other related molecular properties are also calculated. The theoretically constructed FT-IR and FT-Raman spectra of MPM coincide with the experimental one. The chemical structure of the compound has been established by 1H and 13C NMR spectra. No detectable signal was observed during powder test for second harmonic generation.

FT-IR microspectroscopy characterization of supports for enzyme immobilization in biosensing applications

Science.gov (United States)

Portaccio, M.; Della Ventura, B.; Gabrovska, K.; Marinov, I.; Godjevargova, T.; Mita, D. G.; Lepore, M.

2010-04-01

The investigation of materials suitable for enzyme immobilization in biosensing applications has a widespread interest. There are many studies on physico-chemical properties of these materials at macroscopic level but few studies have been devoted to examine and correlate these properties at microscopic level. FT-IR spectroscopy with Micro-Attenuated Total Reflection (Micro-ATR) approach can be extremely useful for understanding a variety of aspects of materials which can be used for optimising immobilization procedures. Moreover, this experimental approach is particularly simple to use (no sample preparation is required) and minimally invasive. Using a Perkin Elmer Spectrum One FT-IR spectrometer equipped with a mercury-cadmium-telluride detector and a micro-ATR element we investigated different materials used for immobilization procedures with various enzymes widely used for biosensing in environmental and clinical applications. In particular, composite membranes constituted by a chemically modified poly-acrylonitrile (PAN) membrane plus layers of tethered chitosan of different molecular weight have been examined. Also silica gel matrices without and with glucose oxidase have been investigated. Spectra have been analysed and the contribution of principal functional groups has been evidenced.

The application of FT-IR spectrum method in photocuring process for polyester acrylate

International Nuclear Information System (INIS)

Cao Jin; Lu Xianliang; Zhang Zhenli

1995-01-01

This paper describes that the UV curing process of polyester acrylate can be monitored by measuring the degree of double bonds conversion with FT-IR spectroscopy. The various factors effect the UV curing rate. The relation between the curing rate and the concentration of photoinitiator, crosslinking agent, UV light intensity was discussed. (author)

Application of FTIR-ATR Spectroscopy to Determine the Extent of Lipid Peroxidation in Plasma during Haemodialysis

Directory of Open Access Journals (Sweden)

Adam Oleszko

2015-01-01

Full Text Available During a haemodialysis (HD, because of the contact of blood with the surface of the dialyser, the immune system becomes activated and reactive oxygen species (ROS are released into plasma. Particularly exposed to the ROS are lipids and proteins contained in plasma, which undergo peroxidation. The main breakdown product of oxidized lipids is the malondialdehyde (MDA. A common method for measuring the concentration of MDA is a thiobarbituric acid reactive substances (TBARS method. Despite the formation of MDA in plasma during HD, its concentration decreases because it is removed from the blood in the dialyser. Therefore, this research proposes the Fourier Transform Infrared Attenuated Total Reflectance (FTIR-ATR spectroscopy, which enables determination of primary peroxidation products. We examined the influence of the amount of hydrogen peroxide added to lipid suspension that was earlier extracted from plasma specimen on lipid peroxidation with use of TBARS and FTIR-ATR methods. Linear correlation between these methods was shown. The proposed method was effective during the evaluation of changes in the extent of lipid peroxidation in plasma during a haemodialysis in sheep. A measurement using the FTIR-ATR showed an increase in plasma lipid peroxidation after 15 and 240 minutes of treatment, while the TBARS concentration was respectively lower.

Efficacy of using multiple open-path Fourier transform infrared (OP-FTIR) spectrometers in an odor emission episode investigation at a semiconductor manufacturing plant

Energy Technology Data Exchange (ETDEWEB)

Tsao, Yung-Chieh; Wu, Chang-Fu [Institute of Occupational Medicine and Industrial Hygiene, National Taiwan University College of Public Health, Taipei City 100, Taiwan (China); Chang, Pao-Erh; Chen, Shin-Yu [Green Energy and Environment Research Laboratories, Industrial Technology Research Institute, Hsinchu City 310, Taiwan 310 (China); Hwang, Yaw-Huei, E-mail: yhhwang@ntu.edu.tw [Institute of Occupational Medicine and Industrial Hygiene, National Taiwan University College of Public Health, Taipei City 100, Taiwan (China); Department of Public Health, College of Public Health, National Taiwan University, Taipei City 100, Taiwan (China)

2011-08-01

This study evaluated the efficacy of simultaneously employing three open-path Fourier transform infrared (OP-FTIR) spectrometers with 3-day consecutive monitoring, using an odor episode as an example. The corresponding monitoring paths were allocated among the possible emission sources of a semiconductor manufacturing plant and the surrounding optoelectronic and electronic-related factories, which were located in a high-tech industrial park. There was a combined total odor rate of 43.9% for the three monitoring paths, each comprised of 736 continuous 5-minute monitoring records and containing detectable odor compounds, such as ammonia, ozone, butyl acetate, and propylene glycol monomethyl ether acetate (PGMEA). The results of the logistic regression model indicated that the prevailing south wind and the OP-FTIR monitoring path closest to the emission source in down-wind direction resulted in a high efficacy for detecting odorous samples with odds ratios (OR) of 3.8 (95% confidence interval (CI): 2.9-5.0) and 5.1 (95% CI: 3.6-7.2), respectively. Meanwhile, the odds ratio for detecting ammonia odorous samples was 7.5 for Path II, which was downwind closer to the possible source, as compared to Path III, downwind far away from the possible source. PGMEA could not be monitored at Path II but could be at Path III, indicating the importance of the monitoring path and flow ejection velocities inside the stacks on the monitoring performance of OP-FTIR. Besides, an odds ratio of 5.1 for odorous sample detection was obtained with south prevailing wind comprising 65.0% of the monitoring time period. In general, it is concluded that OP-FTIR operated with multiple paths simultaneously shall be considered for investigation on relatively complicated episodes such as emergency of chemical release, multiple-source emission and chemical monitoring for odor in a densely populated plant area to enhance the efficacy of OP-FTIR monitoring. - Research highlights: {yields} To conduct

Efficacy of using multiple open-path Fourier transform infrared (OP-FTIR) spectrometers in an odor emission episode investigation at a semiconductor manufacturing plant

International Nuclear Information System (INIS)

Tsao, Yung-Chieh; Wu, Chang-Fu; Chang, Pao-Erh; Chen, Shin-Yu; Hwang, Yaw-Huei

2011-01-01

This study evaluated the efficacy of simultaneously employing three open-path Fourier transform infrared (OP-FTIR) spectrometers with 3-day consecutive monitoring, using an odor episode as an example. The corresponding monitoring paths were allocated among the possible emission sources of a semiconductor manufacturing plant and the surrounding optoelectronic and electronic-related factories, which were located in a high-tech industrial park. There was a combined total odor rate of 43.9% for the three monitoring paths, each comprised of 736 continuous 5-minute monitoring records and containing detectable odor compounds, such as ammonia, ozone, butyl acetate, and propylene glycol monomethyl ether acetate (PGMEA). The results of the logistic regression model indicated that the prevailing south wind and the OP-FTIR monitoring path closest to the emission source in down-wind direction resulted in a high efficacy for detecting odorous samples with odds ratios (OR) of 3.8 (95% confidence interval (CI): 2.9-5.0) and 5.1 (95% CI: 3.6-7.2), respectively. Meanwhile, the odds ratio for detecting ammonia odorous samples was 7.5 for Path II, which was downwind closer to the possible source, as compared to Path III, downwind far away from the possible source. PGMEA could not be monitored at Path II but could be at Path III, indicating the importance of the monitoring path and flow ejection velocities inside the stacks on the monitoring performance of OP-FTIR. Besides, an odds ratio of 5.1 for odorous sample detection was obtained with south prevailing wind comprising 65.0% of the monitoring time period. In general, it is concluded that OP-FTIR operated with multiple paths simultaneously shall be considered for investigation on relatively complicated episodes such as emergency of chemical release, multiple-source emission and chemical monitoring for odor in a densely populated plant area to enhance the efficacy of OP-FTIR monitoring. - Research highlights: → To conduct multi

Rapid-scan EPR imaging.

Science.gov (United States)

Eaton, Sandra S; Shi, Yilin; Woodcock, Lukas; Buchanan, Laura A; McPeak, Joseph; Quine, Richard W; Rinard, George A; Epel, Boris; Halpern, Howard J; Eaton, Gareth R

2017-07-01

In rapid-scan EPR the magnetic field or frequency is repeatedly scanned through the spectrum at rates that are much faster than in conventional continuous wave EPR. The signal is directly-detected with a mixer at the source frequency. Rapid-scan EPR is particularly advantageous when the scan rate through resonance is fast relative to electron spin relaxation rates. In such scans, there may be oscillations on the trailing edge of the spectrum. These oscillations can be removed by mathematical deconvolution to recover the slow-scan absorption spectrum. In cases of inhomogeneous broadening, the oscillations may interfere destructively to the extent that they are not visible. The deconvolution can be used even when it is not required, so spectra can be obtained in which some portions of the spectrum are in the rapid-scan regime and some are not. The technology developed for rapid-scan EPR can be applied generally so long as spectra are obtained in the linear response region. The detection of the full spectrum in each scan, the ability to use higher microwave power without saturation, and the noise filtering inherent in coherent averaging results in substantial improvement in signal-to-noise relative to conventional continuous wave spectroscopy, which is particularly advantageous for low-frequency EPR imaging. This overview describes the principles of rapid-scan EPR and the hardware used to generate the spectra. Examples are provided of its application to imaging of nitroxide radicals, diradicals, and spin-trapped radicals at a Larmor frequency of ca. 250MHz. Copyright © 2017 Elsevier Inc. All rights reserved.

The clinical, radiological, and scan-examination in horses with backproblems; Die klinische, röntgenologische und szintigraphische Untersuchung bei den sogenannten Rückenproblemen des Pferdes

Energy Technology Data Exchange (ETDEWEB)

Nowak, M. [Tierklinik Hochmoor, Gescher (Germany)

1988-09-15

In 21 horses with the anamnesis backproblems there had been a clinical, scan- and X-ray-examination of the thoracal and lumbar vertebra in special consideration of the spinosus process and the dorsal intervertebral joint. But there was not always a relation between the clinical signs and X-rays or scan results. Not all positive X-rays found their corresponding scan activity and not all scan activities took place in X-rays. In many cases there was pathological change of the spinosus process and arthropathy of the dorsal intervertebral joint at the same time. Only with X-raying it is not possible to decide to operate the thoracolumbal, interspinale syndrom (TIS) or not [German] Bei 2l Pferden mit dem Vorbericht 'Rückenleiden' wurden klinisch, röntgenologisch und szintigraphisch die Brust- und Lendenwirbelsäule unter besonderer Berücksichtigung der Dornfortsätze und der dorsalen Intervertebralgelenke untersucht. Die erhobenen klinischen, röntgenologischen und szintigraphischen Befunde stimmten nicht immer überein. So waren nicht alle erhobenen Röntgenbefunde szintigraphisch aktiv, und für die szintigraphisch aktiven Zonen konnten nicht immer rötgenologische Befunde erhoben werden. Bei den Veränderungen der Dornfortsätze lagen oft gleichzeitig Arthrosen der dorsalen Intervertebralgelenke vor. Die Indikation ftir die Operation des thorakolumbalen, interspinalen Syndroms (TIS) kann deshalb nicht mit der Röntgenuntersuchung der Dornfortsätze allein gestellt werden.

FTIR Spectroscopy on Basic Materials in THz Region for Compact FEL-Based Imaging

CERN Document Server

Cha, H J; Lee, B C; Park, S H

2005-01-01

We are making experiments on THz(terahertz) imaging using a compact high power FEL (free-electron laser) which is operating as a users facility at KAERI. The wavelength range of output pulses is 100~1200 μm, which corresponds to 0.3~3 THz in the frequency region. We should select the optimum wavelength for the constituents of specimens to realize the imaging based on the THz FEL. A FTIR (Fourier-transform infrared) spectrometer was modified to measure the optical constants of the specimens in THz region. A polyester film of which thickness is 3.7 μm was used as a beam splitter of the spectrometer. In the case of normal incidence, the transmittance of the film was measured to be more than 90%, and the estimated loss by absorption was approximately 2% at the FEL frequency of 3 THz. Several tens of nanometer-thick-silver was coated on the polyester film to balance both transmission and reflection of THz waves in the beam splitter. We investigated FTIR spectroscopy on air, vapor and liquid water...

Spatial and molecular resolution of diffuse malignant mesothelioma heterogeneity by integrating label-free FTIR imaging, laser capture microdissection and proteomics

Science.gov (United States)

Großerueschkamp, Frederik; Bracht, Thilo; Diehl, Hanna C.; Kuepper, Claus; Ahrens, Maike; Kallenbach-Thieltges, Angela; Mosig, Axel; Eisenacher, Martin; Marcus, Katrin; Behrens, Thomas; Brüning, Thomas; Theegarten, Dirk; Sitek, Barbara; Gerwert, Klaus

2017-03-01

Diffuse malignant mesothelioma (DMM) is a heterogeneous malignant neoplasia manifesting with three subtypes: epithelioid, sarcomatoid and biphasic. DMM exhibit a high degree of spatial heterogeneity that complicates a thorough understanding of the underlying different molecular processes in each subtype. We present a novel approach to spatially resolve the heterogeneity of a tumour in a label-free manner by integrating FTIR imaging and laser capture microdissection (LCM). Subsequent proteome analysis of the dissected homogenous samples provides in addition molecular resolution. FTIR imaging resolves tumour subtypes within tissue thin-sections in an automated and label-free manner with accuracy of about 85% for DMM subtypes. Even in highly heterogeneous tissue structures, our label-free approach can identify small regions of interest, which can be dissected as homogeneous samples using LCM. Subsequent proteome analysis provides a location specific molecular characterization. Applied to DMM subtypes, we identify 142 differentially expressed proteins, including five protein biomarkers commonly used in DMM immunohistochemistry panels. Thus, FTIR imaging resolves not only morphological alteration within tissue but it resolves even alterations at the level of single proteins in tumour subtypes. Our fully automated workflow FTIR-guided LCM opens new avenues collecting homogeneous samples for precise and predictive biomarkers from omics studies.

Validation of ATR FT-IR to identify polymers of plastic marine debris, including those ingested by marine organisms

Science.gov (United States)

Jung, Melissa R.; Horgen, F. David; Orski, Sara V.; Rodriguez, Viviana; Beers, Kathryn L.; Balazs, George H.; Jones, T. Todd; Work, Thierry M.; Brignac, Kayla C.; Royer, Sarah-Jeanne; Hyrenbach, David K.; Jensen, Brenda A.; Lynch, Jennifer M.

2018-01-01

Polymer identification of plastic marine debris can help identify its sources, degradation, and fate. We optimized and validated a fast, simple, and accessible technique, attenuated total reflectance Fourier transform infrared spectroscopy (ATR FT-IR), to identify polymers contained in plastic ingested by sea turtles. Spectra of consumer good items with known resin identification codes #1–6 and several #7 plastics were compared to standard and raw manufactured polymers. High temperature size exclusion chromatography measurements confirmed ATR FT-IR could differentiate these polymers. High-density (HDPE) and low-density polyethylene (LDPE) discrimination is challenging but a clear step-by-step guide is provided that identified 78% of ingested PE samples. The optimal cleaning methods consisted of wiping ingested pieces with water or cutting. Of 828 ingested plastics pieces from 50 Pacific sea turtles, 96% were identified by ATR FT-IR as HDPE, LDPE, unknown PE, polypropylene (PP), PE and PP mixtures, polystyrene, polyvinyl chloride, and nylon.

Application of fourier-transform infrared (ft-ir) spectroscopy for determination of total phenolics of freeze dried lemon juices

International Nuclear Information System (INIS)

Sherazi, S.T.H.; Bhutto, A.A.; Mehesar, S.A.

2017-01-01

A cost effective and environmentally safe analytical method for rapid assessment of total phenolic content (TPC) in freeze dried lemon juice samples was developed using transmission Fourier-transform infrared spectroscopy (FT-IR) in conjunction with chemometric techniques. Two types of calibrations i.e. simple Beer's law and partial least square (PLS) were applied to investigate most accurate calibration model based on region from1420 to 1330 cm-1. The better analytical performance was obtained by PLS technique coefficient of determination (R2), root mean square error of calibration (RMSEC) with the value of 0.999 and 0.00864, respectively. The results of TPC in freeze dried lemon juice samples obtained by transmission FT-IR were compared with TPC observed by Folin-Ciocalteu (FC) assay and found to be comparable. Outcomes of the present study indicate that transmission FT-IR spectroscopic approach could be used as an alternative approach in place of Folin-Ciocalteu (FC) assay which is expensive and time-consuming conventional chemical methods for determination of the total phenolic content of lemon fruits. (author)

FTIR and NDIR spectroscopies as valuable alternatives to IRMS spectrometry for the δ(13)C analysis of food.

Science.gov (United States)

Pironti, Concetta; Proto, Antonio; Camin, Federica; Cucciniello, Raffaele; Zarrella, Ilaria; Motta, Oriana

2016-11-01

The (13)C/(12)C carbon isotope ratio is a chemical parameter with many important applications in several scientific area and the technique of choice currently used for the δ(13)C determination is the isotope ratio mass spectrometry (IRMS). This latter is highly accurate (0.1‰) and sensitive (up to 0.01‰), but at the same time expensive and complex. The objective of this work was to assess the reliability of FTIR and NDIRS techniques for the measurement of carbon stable isotope ratio of food sample, in comparison to IRMS. IRMS, NDIRS and FTIR were used to analyze samples of food, such as oil, durum, cocoa, pasta and sugar, in order to determine the natural abundance isotopic ratio of carbon in a parallel way. The results were comparable, showing a close relationship among the three techniques. The main advantage in using FTIR and NDIRS is related to their cheapness and easy-to-operate in comparison to IRMS. Copyright © 2016 Elsevier B.V. All rights reserved.

Biochemical Monitoring of Spinal Cord Injury by FT-IR Spectroscopy—Effects of Therapeutic Alginate Implant in Rat Models

Science.gov (United States)

Uckermann, Ortrud; Sitoci-Ficici, Kerim H.; Later, Robert; Beiermeister, Rudolf; Doberenz, Falko; Gelinsky, Michael; Leipnitz, Elke; Schackert, Gabriele; Koch, Edmund; Sablinskas, Valdas; Steiner, Gerald; Kirsch, Matthias

2015-01-01

Spinal cord injury (SCI) induces complex biochemical changes, which result in inhibition of nervous tissue regeneration abilities. In this study, Fourier-transform infrared (FT-IR) spectroscopy was applied to assess the outcomes of implants made of a novel type of non-functionalized soft calcium alginate hydrogel in a rat model of spinal cord hemisection (n = 28). Using FT-IR spectroscopic imaging, we evaluated the stability of the implants and the effects on morphology and biochemistry of the injured tissue one and six months after injury. A semi-quantitative evaluation of the distribution of lipids and collagen showed that alginate significantly reduced injury-induced demyelination of the contralateral white matter and fibrotic scarring in the chronic state after SCI. The spectral information enabled to detect and localize the alginate hydrogel at the lesion site and proved its long-term persistence in vivo. These findings demonstrate a positive impact of alginate hydrogel on recovery after SCI and prove FT-IR spectroscopic imaging as alternative method to evaluate and optimize future SCI repair strategies. PMID:26559822

Biochemical Monitoring of Spinal Cord Injury by FT-IR Spectroscopy--Effects of Therapeutic Alginate Implant in Rat Models.

Directory of Open Access Journals (Sweden)

Sandra Tamosaityte

Full Text Available Spinal cord injury (SCI induces complex biochemical changes, which result in inhibition of nervous tissue regeneration abilities. In this study, Fourier-transform infrared (FT-IR spectroscopy was applied to assess the outcomes of implants made of a novel type of non-functionalized soft calcium alginate hydrogel in a rat model of spinal cord hemisection (n = 28. Using FT-IR spectroscopic imaging, we evaluated the stability of the implants and the effects on morphology and biochemistry of the injured tissue one and six months after injury. A semi-quantitative evaluation of the distribution of lipids and collagen showed that alginate significantly reduced injury-induced demyelination of the contralateral white matter and fibrotic scarring in the chronic state after SCI. The spectral information enabled to detect and localize the alginate hydrogel at the lesion site and proved its long-term persistence in vivo. These findings demonstrate a positive impact of alginate hydrogel on recovery after SCI and prove FT-IR spectroscopic imaging as alternative method to evaluate and optimize future SCI repair strategies.

Photoacoustic Fourier Transform Infrared (FTIR) Spectroscopy Of Solids

Science.gov (United States)

Vidrine, D. Warren

1981-10-01

After discovering the photoacoustic effect, Alexander Graham Bell predicted its use in spectrometers, and that it would find its greatest utility "in the ultra-red." More than ninety years were required to fulfil his first prediction, and the second is still a prophecy. There is no record whether he ever imagined that an invention being developed that same winter by a young protege of his named Albert Michelson would ever be combined with his photoacoustic effect. A century later, the combination was made by Farrow Burnham, and Eyring, using a visible-range interferometer spectrometer of their own design. Soon afterwards, Rockley and myself, working independently, applied the technique to infrared measurements of solid samples. Photoacoustic cells are now commercially available as FT-IR accessories, and the technique is in use in the field.

Tomographic Reconstruction of Tracer Gas Concentration Profiles in a Room with the Use of a Single OP-FTIR and Two Iterative Algorithms: ART and PWLS.

Science.gov (United States)

Park, Doo Y; Fessier, Jeffrey A; Yost, Michael G; Levine, Steven P

2000-03-01

Computed tomographic (CT) reconstructions of air contaminant concentration fields were conducted in a room-sized chamber employing a single open-path Fourier transform infrared (OP-FTIR) instrument and a combination of 52 flat mirrors and 4 retroreflectors. A total of 56 beam path data were repeatedly collected for around 1 hr while maintaining a stable concentration gradient. The plane of the room was divided into 195 pixels (13 × 15) for reconstruction. The algebraic reconstruction technique (ART) failed to reconstruct the original concentration gradient patterns for most cases. These poor results were caused by the "highly underdetermined condition" in which the number of unknown values (156 pixels) exceeds that of known data (56 path integral concentrations) in the experimental setting. A new CT algorithm, called the penalized weighted least-squares (PWLS), was applied to remedy this condition. The peak locations were correctly positioned in the PWLS-CT reconstructions. A notable feature of the PWLS-CT reconstructions was a significant reduction of highly irregular noise peaks found in the ART-CT reconstructions. However, the peak heights were slightly reduced in the PWLS-CT reconstructions due to the nature of the PWLS algorithm. PWLS could converge on the original concentration gradient even when a fairly high error was embedded into some experimentally measured path integral concentrations. It was also found in the simulation tests that the PWLS algorithm was very robust with respect to random errors in the path integral concentrations. This beam geometry and the use of a single OP-FTIR scanning system, in combination with the PWLS algorithm, is a system applicable to both environmental and industrial settings.

FTIR spectro-imaging of collagen scaffold formation during glioma tumor development.

Science.gov (United States)

Noreen, Razia; Chien, Chia-Chi; Chen, Hsiang-Hsin; Bobroff, Vladimir; Moenner, Michel; Javerzat, Sophie; Hwu, Yeukuang; Petibois, Cyril

2013-11-01

Evidence has recently emerged that solid and diffuse tumors produce a specific extracellular matrix (ECM) for division and diffusion, also developing a specific interface with microvasculature. This ECM is mainly composed of collagens and their scaffolding appears to drive tumor growth. Although collagens are not easily analyzable by UV-fluorescence means, FTIR imaging has appeared as a valuable tool to characterize collagen contents in tissues, specially the brain, where ECM is normally devoid of collagen proteins. Here, we used FTIR imaging to characterize collagen content changes in growing glioma tumors. We could determine that C6-derived solid tumors presented high content of triple helix after 8-11 days of growth (typical of collagen fibrils formation; 8/8 tumor samples; 91 % of total variance), and further turned to larger α-helix (days 12-15; 9/10 of tumors; 94 % of variance) and β-turns (day 18-21; 7/8 tumors; 97 % of variance) contents, which suggest the incorporation of non-fibrillar collagen types in ECM, a sign of more and more organized collagen scaffold along tumor progression. The growth of tumors was also associated to the level of collagen produced (P < 0.05). This study thus confirms that collagen scaffolding is a major event accompanying the angiogenic shift and faster tumor growth in solid glioma phenotypes.

Micro-FTIR and EPMA Characterisation of Charoite from Murun Massif (Russia

Directory of Open Access Journals (Sweden)

Maria Lacalamita

2018-01-01

Full Text Available Combined micro-Fourier transform infrared (micro-FTIR and electron probe microanalyses (EPMA were performed on a single crystal of charoite from Murun Massif (Russia in order to get a deeper insight into the vibrational features of crystals with complex structure and chemistry. The micro-FTIR study of a single crystal of charoite was collected in the 6000–400 cm−1 at room temperature and after heating at 100°C. The structural complexity of this mineral is reflected by its infrared spectrum. The analysis revealed a prominent absorption in the OH stretching region as a consequence of band overlapping due to a combination of H2O and OH stretching vibrations. Several overtones of the O-H and Si-O stretching vibration bands were observed at about 4440 and 4080 cm−1 such as absorption possibly due to the organic matter at about 3000–2800 cm−1. No significant change due to the loss of adsorbed water was observed in the spectrum obtained after heating. The occurrence of well-resolved water bending vibration bands at about 1595 and 1667 cm−1 accounts for more than one structural water molecule as expected by charoite-90 polytype structure model from literature. The chemical composition of the studied crystal is close to the literature one.

Radiopharmaceutical scanning agents

International Nuclear Information System (INIS)

1976-01-01

This invention is directed to dispersions useful in preparing radiopharmaceutical scanning agents, to technetium labelled dispersions, to methods for preparing such dispersions and to their use as scanning agents

Characterization of additives typically employed in EPDM formulations by using FT-IR of gaseous pyrolyzates

Directory of Open Access Journals (Sweden)

Natália Beck Sanches

2014-06-01

Full Text Available In this study, Fourier transform infrared spectroscopy (FT-IR was employed to investigate the gaseous pyrolysis products of ethylene - propylene - diene rubber (EPDM. The objective was to evaluate the potential of FT-IR analysis of gaseous pyrolyzates (PY-G/FT-IR for characterization of EPDM additives. Two EPDM formulations, containing additives typically employed in EPDM rubbers, were analyzed. Initially, gaseous pyrolysis products from paraffin oil, stearic acid, 2,2,4-trimethyl-1,2-dihydroquinoline, tetramethylthiuram monosulfide (TMTM, tetramethylthiuram disulfide (TMTD, and 2-mercaptobenzothiazole (MBT were characterized separately, and their main absorptions were identified. Subsequently, the gaseous pyrolysis products of raw, unvulcanized, and vulcanized EPDM formulations were analyzed. The similarities observed in the FT-IR spectra of unvulcanized and vulcanized EPDM show that the vulcanization process does not interfere with the pyrolysis products. The identification of the functional groups of the studied additives was possible in both unvulcanized and vulcanized EPDM samples, without solvent extraction. Results also demonstrate that the PY-G/FT-IR technique can identify additives containing sulfur in concentrations as low as 1.4 phr (1.26% in both unvulcanized and vulcanized EPDM. However, the method showed some limitation due to overlapping and to similarities of TMTM and TMTD PY-G/FT-IR spectra, which could not be distinguished from each other. The PY-G/FT-IR technique is a faster and cheaper alternative to the sophisticated techniques usually applied to detection of additives in rubbers.

Using XCO2 retrievals for assessing the long-term consistency of NDACC/FTIR data sets

Science.gov (United States)

Barthlott, S.; Schneider, M.; Hase, F.; Wiegele, A.; Christner, E.; González, Y.; Blumenstock, T.; Dohe, S.; García, O. E.; Sepúlveda, E.; Strong, K.; Mendonca, J.; Weaver, D.; Palm, M.; Deutscher, N. M.; Warneke, T.; Notholt, J.; Lejeune, B.; Mahieu, E.; Jones, N.; Griffith, D. W. T.; Velazco, V. A.; Smale, D.; Robinson, J.; Kivi, R.; Heikkinen, P.; Raffalski, U.

2015-03-01

Within the NDACC (Network for the Detection of Atmospheric Composition Change), more than 20 FTIR (Fourier-transform infrared) spectrometers, spread worldwide, provide long-term data records of many atmospheric trace gases. We present a method that uses measured and modelled XCO2 for assessing the consistency of these NDACC data records. Our XCO2 retrieval setup is kept simple so that it can easily be adopted for any NDACC/FTIR-like measurement made since the late 1950s. By a comparison to coincident TCCON (Total Carbon Column Observing Network) measurements, we empirically demonstrate the useful quality of this suggested NDACC XCO2 product (empirically obtained scatter between TCCON and NDACC is about 4‰ for daily mean as well as monthly mean comparisons, and the bias is 25‰). Our XCO2 model is a simple regression model fitted to CarbonTracker results and the Mauna Loa CO2 in situ records. A comparison to TCCON data suggests an uncertainty of the model for monthly mean data of below 3‰. We apply the method to the NDACC/FTIR spectra that are used within the project MUSICA (multi-platform remote sensing of isotopologues for investigating the cycle of atmospheric water) and demonstrate that there is a good consistency for these globally representative set of spectra measured since 1996: the scatter between the modelled and measured XCO2 on a yearly time scale is only 3‰.

Diagnostic prediction of renal failure from blood serum analysis by FTIR spectrometry and chemometrics

Science.gov (United States)

Khanmohammadi, Mohammdreza; Ghasemi, Keyvan; Garmarudi, Amir Bagheri; Ramin, Mehdi

2015-02-01

A new diagnostic approach based on Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectrometry and classification algorithm has been introduced which provides a rapid, reliable, and easy way to perform blood test for the diagnosis of renal failure. Blood serum samples from 35 renal failure patients and 40 healthy persons were analyzed by ATR-FTIR spectrometry. The resulting data was processed by Quadratic Discriminant Analysis (QDA) and QDA combined with simple filtered method. Spectroscopic studies were performed in 900-2000 cm-1 spectral region with 3.85 cm-1 data space. Results showed 93.33% and 100% of accuracy for QDA and filter-QDA models, respectively. In the first step, 30 samples were applied to construct the model. In order to modify the capability of QDA in prediction of test samples, filter-based feature selection methods were applied. It was found that the filtered spectra coupled with QDA could correctly predict the test samples in most of the cases.

Nuclear Heart Scan

Science.gov (United States)

... Home / Nuclear Heart Scan Nuclear Heart Scan Also known as Nuclear Stress Test , ... Learn More Connect With Us Contact Us Directly Policies Privacy Policy Freedom of Information Act (FOIA) Accessibility ...

MutScan: fast detection and visualization of target mutations by scanning FASTQ data.

Science.gov (United States)

Chen, Shifu; Huang, Tanxiao; Wen, Tiexiang; Li, Hong; Xu, Mingyan; Gu, Jia

2018-01-22

Some types of clinical genetic tests, such as cancer testing using circulating tumor DNA (ctDNA), require sensitive detection of known target mutations. However, conventional next-generation sequencing (NGS) data analysis pipelines typically involve different steps of filtering, which may cause miss-detection of key mutations with low frequencies. Variant validation is also indicated for key mutations detected by bioinformatics pipelines. Typically, this process can be executed using alignment visualization tools such as IGV or GenomeBrowse. However, these tools are too heavy and therefore unsuitable for validating mutations in ultra-deep sequencing data. We developed MutScan to address problems of sensitive detection and efficient validation for target mutations. MutScan involves highly optimized string-searching algorithms, which can scan input FASTQ files to grab all reads that support target mutations. The collected supporting reads for each target mutation will be piled up and visualized using web technologies such as HTML and JavaScript. Algorithms such as rolling hash and bloom filter are applied to accelerate scanning and make MutScan applicable to detect or visualize target mutations in a very fast way. MutScan is a tool for the detection and visualization of target mutations by only scanning FASTQ raw data directly. Compared to conventional pipelines, this offers a very high performance, executing about 20 times faster, and offering maximal sensitivity since it can grab mutations with even one single supporting read. MutScan visualizes detected mutations by generating interactive pile-ups using web technologies. These can serve to validate target mutations, thus avoiding false positives. Furthermore, MutScan can visualize all mutation records in a VCF file to HTML pages for cloud-friendly VCF validation. MutScan is an open source tool available at GitHub: https://github.com/OpenGene/MutScan.

LIDAR COMBINED SCANNING UNIT

Directory of Open Access Journals (Sweden)

V. V. Elizarov

2016-11-01

Full Text Available Subject of Research. The results of lidar combined scanning unit development for locating leaks of hydrocarbons are presented The unit enables to perform high-speed scanning of the investigated space in wide and narrow angle fields. Method. Scanning in a wide angular field is produced by one-line scanning path by means of the movable aluminum mirror with a frequency of 20Hz and amplitude of 20 degrees of swing. Narrowband scanning is performed along a spiral path by the deflector. The deflection of the beam is done by rotation of the optical wedges forming part of the deflector at an angle of ±50. The control function of the scanning node is performed by a specialized software product written in C# programming language. Main Results. This scanning unit allows scanning the investigated area at a distance of 50-100 m with spatial resolution at the level of 3 cm. The positioning accuracy of the laser beam in space is 15'. The developed scanning unit gives the possibility to browse the entire investigated area for the time not more than 1 ms at a rotation frequency of each wedge from 50 to 200 Hz. The problem of unambiguous definition of the beam geographical coordinates in space is solved at the software level according to the rotation angles of the mirrors and optical wedges. Lidar system coordinates are determined by means of GPS. Practical Relevance. Development results open the possibility for increasing the spatial resolution of scanning systems of a wide range of lidars and can provide high positioning accuracy of the laser beam in space.

[FTIR study on the finger nail with carcinoma of nasopharynx].

Science.gov (United States)

Dong, Qin; Liu, Gang; Liu, Tian-hui

2004-12-01

Finger nails from twenty normal people and three with carcinoma of nasopharynx were studied by Fourier Transform Infrared (FTIR) technique. The results showed that there are obvious differences between FTIR spectra of them in spectral parameters such as frequency, intensity and band shape etc. The most striking differences in the spectra were observed in the change of amide II, the disappearance of delta(s) (CH3) peak, and at 874.0 cm(-1) whether appeared an absorption peak. The changes involving the phosphate symmetric stretching nu(s, PO2-) and asynmmetric stretching nu(as, PO2-) modes, the CH3 and CH2 groups stretching (v(s, CH2), nu(as, CH3)) bending (delta (CH3)) modes and the C-O stretching nu (C-O) mode were discussed. In addition, the changes of structure of hydrogen-bonding of nucleic acid and cell proteins and the packing and the conformational structure of the membrane lipids were analysed. The average wave number of band of nu(s) (PO2-) shifted from 1080.0 to 1077.6 cm(-1) and that of nu(as) (PO2-) shifted from 1239.4 to 1238.4 cm(-1), which indicated that the degree of hydrogen-bonding formed by oxygen atom of the phosphodiester groups of nucleic acids was weakened. The average wave number of band of delta (CH2) of membrane lipids shifted from 1453.1 to 1453.7 cm(-1), and its peak intensity was slightly enhanced, which suggested that the conformational structure of the methylene chains of membrane lipids is more disordered than in normal nail.

[Raman, FTIR spectra and normal mode analysis of acetanilide].

Science.gov (United States)

Liang, Hui-Qin; Tao, Ya-Ping; Han, Li-Gang; Han, Yun-Xia; Mo, Yu-Jun

2012-10-01

The Raman and FTIR spectra of acetanilide (ACN) were measured experimentally in the regions of 3 500-50 and 3 500-600 cm(-1) respectively. The equilibrium geometry and vibration frequencies of ACN were calculated based on density functional theory (DFT) method (B3LYP/6-311G(d, p)). The results showed that the theoretical calculation of molecular structure parameters are in good agreement with previous report and better than the ones calculated based on 6-31G(d), and the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis, and based on this, a detailed and accurate vibration frequency assignment of ACN was obtained.

Acidic and Catalytic Properties of Mo-MCM-22 in Methane Aromatization: An FTIR Study

Czech Academy of Sciences Publication Activity Database

Sobalík, Zdeněk; Tvarůžková, Zdenka; Wichterlová, Blanka; Fíla, V.; Špatenka, Š.

2003-01-01

Roč. 253, - (2003), s. 271-282 ISSN 0926-860X R&D Projects: GA ČR GA104/99/0432 Institutional research plan: CEZ:AV0Z4040901 Keywords : methane aromatization * FTIR technique * MCM-22 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.825, year: 2003

RBC nuclear scan

Science.gov (United States)

... page: //medlineplus.gov/ency/article/003835.htm RBC nuclear scan To use the sharing features on this page, please enable JavaScript. An RBC nuclear scan uses small amounts of radioactive material to ...

DepositScan, a Scanning Program to Measure Spray Deposition Distributions

Science.gov (United States)

DepositScan, a scanning program was developed to quickly measure spray deposit distributions on water sensitive papers or Kromekote cards which are widely used for determinations of pesticide spray deposition quality on target areas. The program is installed in a portable computer and works with a ...

Large Scale Scanning Probe Microscope "Making Shear Force Scanning visible."

NARCIS (Netherlands)

Bosma, E.; Offerhaus, Herman L.; van der Veen, Jan T.; van der Veen, J.T.; Segerink, Franciscus B.; Wessel, I.M.

2010-01-01

We describe a demonstration of a scanning probe microscope with shear-force tuning fork feedback. The tuning fork is several centimeters long, and the rigid fiber is replaced by a toothpick. By scaling this demonstration to visible dimensions the accessibility of shear-force scanning and tuning fork

Using synchrotron-based FT-IR microspectroscopy to study erucamide migration in 50-micron-thick bilayer linear low-density polyethylene and polyolefin plastomer films.

Science.gov (United States)

Sankhe, Shilpa Y; Hirt, Douglas E

2003-01-01

The diffusion of additives in thick (approximately 500 microns) single layer and multilayer films has been characterized using FT-IR microspectroscopy. The objective of this research was to investigate additive migration and concentration profiles in coextruded multilayer films of industrially relevant thicknesses. In particular, the investigation focused on the migration of an erucamide slip agent in 50-micron-thick coextruded bilayer films of linear low-density polyethylene (LLDPE) and a polyolefin plastomer (POP). Erucamide concentration profiles were successfully mapped using synchrotron-based FT-IR microspectroscopy. The synchrotron radiation helped to achieve a higher spatial resolution for the thin films. Meticulous sample preparation was needed to map the thin film samples. Results with FT-IR microspectroscopy showed that the additive-concentration profiles were relatively uniform across the multilayer-film thickness irrespective of the intended initial additive distribution. For example, a bilayer planned for 1 wt % erucamide in an LLDPE layer and no erucamide in a POP layer showed significant additive migration into the POP layer at the extrusion rates used. FT-IR microspectroscopy results also showed that more erucamide migrated to the surface of a POP layer than an LLDPE layer. Attenuated total reflectance (ATR) FT-IR spectroscopy was used to confirm the time-dependent increase of erucamide surface concentration and that the increase was more pronounced at the surface of the POP layers.

Photoacoustic spectroscopy, FTIR spectra and thermal diffusivity investigation of emeraldine pellet

International Nuclear Information System (INIS)

Phing, T.E.; Fanny, C.Y.J.; Wan Mahmood Mat Yunus

2001-01-01

Photoacoustic spectra for both emeraldine base and emeraldine salt in bulk form were measured in the wavelength range of 350 nm to 700 nm. The Fourier transform Infrared spectroscopy (FTIR) have also been studied to determine the structure changes due to the protonation process. For the thermal diffusivity measurement, the open photoacoustic cell (OPC) technique has been used. It was found that the emeraldine salt exhibit higher thermal diffusivity compare to emeraldine base and this is similar to the higher conductivity characteristics of emeraldine salt. (Author)

Time-resolved FTIR emission studies of laser photofragmentation and radical reactions

Energy Technology Data Exchange (ETDEWEB)

Leone, S.R. [Univ. of Colorado, Boulder (United States)

1993-12-01

Recent studies have focused specifically on collision processes, such as single collision energy transfer, reaction dynamics, and radical reactions. The authors employ novel FTIR techniques in the study of single collision energy transfer processes using translationally fast H atom, as well as radical-radical reactions, e.g. CH{sub 3} + O, CF{sub 3} + H(D), and Cl + C{sub 2}H{sub 5}. The fast atoms permit unique high energy regions of certain transition states of combustion species to be probed for the first time.

Limitations and potential of spectral subtractions in fourier-transform infrared (FTIR) spectroscopy of soil samples

Science.gov (United States)

Soil science research is increasingly applying Fourier transform infrared (FTIR) spectroscopy for analysis of soil organic matter (SOM). However, the compositional complexity of soils and the dominance of the mineral component can limit spectroscopic resolution of SOM and other minor components. The...

Evaluation of Fungal Deterioration in Liquidambar orientalis Mill. heartwood by FT-IR and light microscopy.

Science.gov (United States)

Nural Yilgor; Dilek Dogu; Roderquita Moore; Evren Terzi; S. Nami Kartal

2013-01-01

The chemical and morphological changes in heartwood specimens of Liquidambar orientalis Mill. caused by the white-rot fungus Trametes versicolor and the brown-rot fungi Tyromyces palustris and Gloeophyllum trabeum were studied by wet chemistry, FT-IR, GC-MS analyses, and photo-...

Scanning of bone metastases

International Nuclear Information System (INIS)

Robillard, J.

1977-01-01

The Centers against cancer of Caen, Angers, Montpellier, Strasbourg and 'the Curie Foundation' have confronted their experience in detection of bone metastases by total body scanning. From the investigation by this procedure, of 1,467 patients with cancer, it results: the confrontation between radio and scanning shows a rate of false positive and false negative identical to the literature ones; the countage scanning allows to reduce the number of false positive; scanning allows to direct bone biopsy and to improve efficiency of histological examination [fr

Transverse section scanning mechanism

International Nuclear Information System (INIS)

Doherty, E.J.

1978-01-01

Apparatus is described for scanning a transverse, radionuclide scan-field using an array of focussed collimators. The collimators are movable tangentially on rails, driven by a single motor via a coupled screw. The collimators are also movable in a radial direction on rails driven by a step motor via coupled screws and bevel gears. Adjacent bevel gears rotate in opposite directions so adjacent collimators move in radially opposite directions. In use, the focal point of each collimator scans at least half of the scan-field, e.g. a human head located in the central aperture, and the electrical outputs of detectors associated with each collimator are used to determine the distribution of radioactive emission intensity at a number of points in the scan-field. (author)

Characteristic Study of Some Different Kinds of Coal Particles Combustion with Online TG-MS-FTIR

Science.gov (United States)

Pan, Guanfu

2018-01-01

Four kinds of pulverized coal samples from China and Indonesia were studied by thermogravimetry coupled with mass spectrometry and fourier transform infrared spectroscopy (TG-MS-FTIR). The thermal behaviors and gaseous emissions of these coals were analyzed in this work. The results indicate that the relative lower values of H/C ratios, which normally represent the degree of aromatization and ring condensation in coal samples, could lead to the relative more intense thermal reaction. The time-evolved profiles of some typical gas products (i.e., CO, SO2, CH4, NO, NO2, NH3 and etc.) were provided by TG-MS-FTIR, and their variations are different. For all the samples, the releases of SO2 and COS can be found at lower temperature than those of NO and CO. As the temperature increases, the possible conversion of NO2 and NH3 to NO is deduced in this work.

2D FTIR correlation spectroscopy and EPR analysis of Urtica dioica leaves from areas of different environmental pollution

Science.gov (United States)

Moskal, Paulina; Wesełucha-Birczyńska, Aleksandra; Łabanowska, Maria; Kurdziel, Magdalena; Filek, Maria

2018-01-01

Leaves of Urtica dioica collected from two areas of different environmental pollution were analysed by fourier transform infrared spectroscopy (FTIR) and electron paramagnetic resonance (EPR) spectroscopy. Analysis of FTIR spectra allows to describe main component of plant like proteins, lipids and carbohydrates. Although the FTIR spectra of plants from these two geographical locations of different environmental pollution appear to be relatively similar, 2D correlation shows completely different patterns. Synchronous and asynchronous correlation maps showed sequences of changes occurring during development of plant, manly in Amide I and Amide II, lignin, lipids and cellulose. In addition, 2D analysis revealed another sequence of changes as the function of plant growth depending on the degree of the environmental pollution. Two various kinds of paramagnetic species, transition metal ions (Mn(II), Fe(III)) and stable organic radicals (chlorophyll, semiquinone, tyrosyl and carbon centered) were found in leaves of nettle collected at different stages of development and growing in clean and polluted environment. In plants growing in polluted area the injuries of protein molecules bonding metal ions and the disturbances of photosynthesis and redox equilibrium in cells, as well as instability of polysaccharide structure of cell walls were observed.

RubiShort: Reducing scan time in 82Rb heart scans to minimize movements artifacts

DEFF Research Database (Denmark)

Madsen, Jeppe; Vraa, Kaspar J.; Harms, Hans

.013x, R2=0.98; %Reversible: y=1.008x, R2=0.95; TPD: y=1.000x, R2=0.99). Conclusion:, Scan time of myocardial perfusion scans using 82Rb can be reduced from 7 min. to 5 min. without loss of quantitative accuracy. Since patient motion is frequent in the last minutes of the scans, scan time reduction...

Study of Kerogen Maturity using Transmission Fourier Transform Infrared Spectroscopy (FTIR)

Science.gov (United States)

Dang, S. T.

2014-12-01

Maturity of kerogen in shale governs the productivity and generation hydrocarbon type. There are generally two accepted methods to measure kerogen maturity; one is the measurement of vitrinite reflectance, %Ro, and another is the measurement of Tmax through pyrolysis. However, each of these techniques has its own limits; vitrinite reflectance measurement cannot be applied to marine shale and pre-Silurian shales, which lack plant materials. Furthermore, %Ro, requires the isolation and identification of vitrinite macerals and statistical measurements of at least 50 macerals. Tmax measurement is questionable for mature and post-mature samples. In addition, there are questions involving the effects of solvents on Tmax determinations. Fourier Transmission Infrared Spectroscopy, FTIR, can be applied for both qualitative and quantitative assessment on organics maturity in shale. The technique does not require separating organic matter or identifying macerals. A CH2/CH3 index, RCH, calculated from FTIR spectra is more objective than other measurements. The index increases with maturity (both natural maturation and synthetic maturation through hydrous and dry pyrolysis). The new maturity index RCH can be calibrated to vitrinite reflectance which allows the definition of the following values for levels of maturity: 1) immature—RCH > 1.6±0.2; 2) oil window-- 1.6±0.2 1.3±0.3; 3) wet gas window--1.3±0.3 1.13±0.05; and 4) dry gas window RCH < 1.13±0.05.

Fiber optic FTIR instrument for in vivo detection of colonic neoplasia

Science.gov (United States)

Van Nortwick, Matthew; Hargrove, John; Wolters, Rolf; Crawford, James M.; Arroyo, May; Mackanos, Mark; Contag, Christopher H.; Wang, Thomas D.

2009-02-01

We demonstrate the proof of concept for use of a fiber optic FTIR instrument to perform in vivo detection of colonic neoplasia as an adjunct to medical endoscopy. FTIR is sensitive to the molecular composition of tissue, and can be used as a guide for biopsy by identifying pre-malignant tissue (dysplasia). First, we demonstrate the use of a silver halide optical fiber to collect mid-infrared absorption spectra in the 950 to 1800 cm-1 regime with high signal-to-noise from biopsy specimens of colonic mucosa tissue ex vivo. We observed subtle differences in wavenumber and magnitude of the absorbance peaks over this regime. We then show that optimal sub-ranges can be defined within this spectral regime and that spectral pre-processing can be performed to classify the tissue as normal, hyperplasia, or dysplasia with high levels of performance. We used a partial least squares discriminant analysis and a leave-one-subject-out crossvalidation strategy to classify the spectra. The results were compared with histology, and the optimal thresholds resulted in an overall sensitivity, specificity, accuracy, and positive predictive value of 96%, 92%, 93%, and 82%, respectively for this technique. We demonstrate that mid-infrared absorption spectra can be collected remotely with an optical fiber and used to identify colonic dysplasia with high accuracy. We are now developing an endoscope compatible optical fiber to use this technique clinically for the early detection of cancer.

A novel FT-IR spectroscopic method based on lipid characteristics for qualitative and quantitative analysis of animal-derived feedstuff adulterated with ruminant ingredients.

Science.gov (United States)

Gao, Fei; Zhou, Simiao; Han, Lujia; Yang, Zengling; Liu, Xian

2017-12-15

The objective of this study was to explore the ability of Fourier transform infrared (FT-IR) spectroscopy to authenticate adulterated animal-derived feedstuff. A total of 18 raw meat and bone meals (MBMs), including 9 non-ruminant MBMs and 9 ruminant MBMs, were mixed to obtain 81 binary mixtures with specific proportions (1-35%). Lipid spectral characteristics were analyzed by FT-IR spectroscopy combined with chemometrics. Changes in FT-IR spectra were observed as adulterant concentration was varied. The results illustrate ruminant adulteration can be successfully distinguished based on lipid characteristics. PLS model was established to quantify ruminant adulteration, which was shown to be valid (R 2 P >0.90). Furthermore, the ratios of CC/CO and CC/CH(CH 2 ), as well as the number of CH(CH 2 ) in the fatty acids of adulterated lipids, were calculated, which showed that differences in the trans fatty acid content and the degree of unsaturation were the main contributors to determination of adulteration based on FT-IR spectroscopy. Copyright © 2017. Published by Elsevier Ltd.

CT scanning in pediatric head trauma: correlation of clinical features with CT scan diagnosis

International Nuclear Information System (INIS)

Arkoncel, Mary Ann P.; Posadas, Ma. Belen A.

1997-01-01

A retrospective review was conducted on 205 cases of pediatric head trauma for which cranial computed tomography scans were done at the Makati Medical Center, to determine which clinical features might positively predict an abnormality on CT scan. The clinical findings of loss of consciousness, GCS < 12, vomiting headache, seizures, and focal abnormalities on Neurologic Examination were significantly associated with abnormal findings on CT scan. However, a significant discrepancy does exist as to how accurately clinical findings do in fact predict normal and abnormal CT scan findings. Such a discrepancy allows us to conclude that a more liberal use of CT Scanning in cases of pediatric head trauma must be stressed to insure proper diagnosis. This study shows that when a patient presents with the aforementioned positive signs and symptoms, or with a focal neurologic deficit, or in combination, a 60-100 % positive prediction of abnormal CT Scan can be made. However, prediction of normal CT Scan is only 0-40%. (Author)

Use of Fourier transformed infrared spectrophotometer (FTIR) for determination of breastmilk output by the deuterium dilution method among Senegalese women

International Nuclear Information System (INIS)

Sarr Cisse, Aita; Diaham, Babou; Dossou, Nicole; Guiro, Amadou Tidiane; Wade, Salimata; Bluck, Leslie

2002-01-01

Breastmilk output can be estimated from the mother's total body water and water turnover rates after oral administration of deuterium oxide. Usually the deuterium enrichments are determined using a isotope ratio mass spectrometer, which is expensive and requires a specialist for operation and maintenance. Such equipment is dfficult to set up in developing countries. A less expensive method was developed which uses a Fourier transform infrared spectrophotometer (FTIR) for deuterium enrichment analysis. This study evaluated the constraints of using FTIR to study lactating women in Senegal. The deuterium isotope method was found to be adequate for free living subjects and presented few constraints except for the duration of the saliva sampling (14 days). The method offers the opportunity to determine simultaneously breastmilk output, mother's body composition, and breastfeeding practices. Deuterium sample enrichments measured with FTIR were fast and easy, but for spectrum quality some environmental control is required to optimize the results. (Authors)

Analysis of European honeybee (Apis mellifera) wings using ATR-FTIR and Raman spectroscopy: A pilot study

Czech Academy of Sciences Publication Activity Database

Machovič, Vladimír; Lapčák, L.; Havelcová, Martina; Borecká, Lenka; Novotná, M.; Novotná, M.; Javůrková, I.; Langrová, I.; Hájková, Š.; Brožová, A.; Titěra, D.

2017-01-01

Roč. 48, č. 1 (2017), s. 22-29 ISSN 1211-3174 Institutional support: RVO:67985891 Keywords : honeybee wings * ATR-FTIR * Raman spectroscopy * protein * lipid * chitin Subject RIV: CB - Analytical Chemistry, Separation OBOR OECD: Analytical chemistry

Ftir study of gamma irradiation LDPE film in air

International Nuclear Information System (INIS)

Moura, Esperidiana A.B.; Silva, Andre L.A.; Gouvea, Paulo H.D.; Silva, Leonardo G. Andrade e; Gouvea, Douglas; Castro, Ricardo H.R.; Wiebeck, Helio; Kawano, Yoshio

2003-01-01

The use of the ionizing radiation for application in plastic packaging, to improve some of properties and for radiation sterilization, has been gaining popularity in the packaging industry. As a consequence of the irradiation, plastic packaging materials can undergo some chemical and physical alterations in their basic function, mainly concerning the protection characteristics. Since changes in physical properties of irradiated packaging films reflect radiation-induced chemical changes in molecular structure, in this work, an investigation was performed by Ftir analysis of LDPE film before and after radiation. Film samples were irradiated with doses between 0 Gy and 100 kGy, at room temperature and in the presence of air. The results showed alterations in the molecular structure, according to the absorbed radiation dose. (author)

Rapid identification of Chinese Sauce liquor from different fermentation positions with FT-IR spectroscopy

Science.gov (United States)

Li, Changwen; Wei, Jiping; Zhou, Qun; Sun, Suqin

2008-07-01

FT-IR and two-dimensional correlation spectroscopy (2D-IR) technology were applied to discriminate Chinese Sauce liquor from different fermentation positions (top, middle and bottom of fermentation cellar) for the first time. The liquors at top, middle and bottom of fermentation cellar, possessed the characteristic peaks at 1731 cm -1, 1733 cm -1 and 1602 cm -1, respectively. In the 2D correlation infrared spectra, the differences were amplified. A strong auto-peak at 1725 cm -1 showed in the 2D spectra of the Top Liquor, which indicated that the liquor might contain some ester compounds. Different from Top Liquor, three auto-peaks at 1695, 1590 and 1480 cm -1 were identified in 2D spectra of Middle Liquor, which were the characteristic absorption of acid, lactate. In 2D spectra of Bottom Liquor, two auto-peaks at 1570 and 1485 cm -1 indicated that lactate was the major component. As a result, FT-IR and 2D-IR correlation spectra technology provided a rapid and effective method for the quality analysis of the Sauce liquor.

Biochemical changes in cutaneous squamous cell carcinoma submitted to PDT using ATR-FTIR spectroscopy

Science.gov (United States)

Lima, Cassio A.; Goulart, Viviane P.; de Castro, Pedro A. A.; Correa, Luciana; Benetti, Carolina; Zezell, Denise M.

2015-06-01

Nonmelanoma skin cancers are the most common form of malignancy in humans. Between the traditional treatment ways, the photodynamic therapy (PDT) is a promising alternative which is minimally invasive and do not requires surgical intervention or exposure to ionizing radiation. The understanding of the cascade of effects playing role in PDT is not fully understood, so that define and understand the biochemical events caused by photodynamic effect will hopefully result in designing better PDT protocols. In this study we investigated the potential of the FTIR spectroscopy to assess the biochemical changes caused by photodynamic therapy after 10 and 20 days of treatment using 5-aminolevulinic acid (ALA) as precursor of the photosensitizer photoporphyrin IX (PpIX). The amplitude values of second derivative from vibrational modes obtained with FTIR spectroscopy showed similar behavior with the morphological features observed in histopathological analysis, which showed active lesions even 20 days after PDT. Thus, the technique has the potential to be used to complement the investigation of the main biochemical changes that photodynamic therapy promotes in tissue.

An improved approach to identify irradiated spices using electronic nose, FTIR, and EPR spectroscopy.

Science.gov (United States)

Sanyal, Bhaskar; Ahn, Jae-Jun; Maeng, Jeong-Hwan; Kyung, Hyun-Kyu; Lim, Ha-Kyeong; Sharma, Arun; Kwon, Joong-Ho

2014-09-01

Changes in cumin and chili powder from India resulting from electron-beam irradiation were investigated using 3 analytical methods: electronic nose (E-nose), Fourier transform infrared (FTIR) spectroscopy, and electron paramagnetic resonance (EPR) spectroscopy. The spices had been exposed to 6 to 14 kGy doses recommended for microbial decontamination. E-nose measured a clear difference in flavor patterns of the irradiated spices in comparison with the nonirradiated samples. Principal component analysis further showed a dose-dependent variation. FTIR spectra of the samples showed strong absorption bands at 3425, 3007 to 2854, and 1746 cm(-1). However, both nonirradiated and irradiated spice samples had comparable patterns without any noteworthy changes in functional groups. EPR spectroscopy of the irradiated samples showed a radiation-specific triplet signal at g = 2.006 with a hyper-fine coupling constant of 3 mT confirming the results obtained with the E-nose technique. Thus, E-nose was found to be a potential tool to identify irradiated spices. © 2014 Institute of Food Technologists®

Influence of the Zeolite ZSM-5 on Catalytic Pyrolysis of Biomass via TG-FTIR

Directory of Open Access Journals (Sweden)

Ze Wang

2015-06-01

Full Text Available Bio-oil from the pyrolysis of biomass is an important renewable source for liquid fuel. However, the application of bio-oil has been severely restricted due to its high viscosity, acidity, and low heating value. Thus, it has been necessary to upgrade bio-oil for automobile fuel via catalytic deoxygenation reactions. Herein, the effects of the zeolite ZSM-5 on the pyrolysis of four biomass materials (corn cob, corn straw, pine powder, and cellulose were investigated via TG-FTIR (thermogravimetric analyzer coupled with a Fourier transform infrared spectrometer to better understand the working mechanism of ZSM-5. The contents of the products of H2O, CO, CO2, and the C-O, C=O, and OH groups evolved with increasing pyrolytic temperature were monitored by FTIR. It was found that the relative contents of the C-O and C=O groups were decreased under the catalysis of ZSM-5, while the formations of CO, H2O, and the OH containing compounds were promoted. To explain the regulations, reaction routes were speculated and the catalytic conversion mechanisms were deduced.

Re-scan confocal microscopy: scanning twice for better resolution.

Science.gov (United States)

De Luca, Giulia M R; Breedijk, Ronald M P; Brandt, Rick A J; Zeelenberg, Christiaan H C; de Jong, Babette E; Timmermans, Wendy; Azar, Leila Nahidi; Hoebe, Ron A; Stallinga, Sjoerd; Manders, Erik M M

2013-01-01

We present a new super-resolution technique, Re-scan Confocal Microscopy (RCM), based on standard confocal microscopy extended with an optical (re-scanning) unit that projects the image directly on a CCD-camera. This new microscope has improved lateral resolution and strongly improved sensitivity while maintaining the sectioning capability of a standard confocal microscope. This simple technology is typically useful for biological applications where the combination high-resolution and high-sensitivity is required.

Evaluation of polybutadiene rubbers using FTIR spectra

Energy Technology Data Exchange (ETDEWEB)

Oliveira, L.N.; Schimidt, F., E-mail: lucas@ifg.edu.br [Instituto Federal de Educacao, Ciencia e Tecnologia de Goias (IFG), Goiania, GO (Brazil); Antonio, P.L.; Caldas, L.V.E. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Vieira, S.L. [Universidade Federal de Goias (UFG), Goiania, GO (Brazil). Instituto de Fisica

2017-09-01

Radiation dosimetry for medical and industrial purposes has increasingly evolved over the last few decades with the introduction of various new detectors. Depending on the properties exhibited for radiation dosimetry, some detectors present their applications in a specific area. From a physics point of view, an ideal dosimeter should be able to measure absorbed dose. In this work, synthetic materials based on polybutadiene rubbers (PBR) were proposed as a new class of radiation detectors. The influence of radiation dose on their properties has been investigated for application in radiation dosimetry. The rubber samples were exposed to absorbed doses from 10 Gy up to 250 Gy, using a {sup 60}Co Gamma Cell-220 system. Their responses were carried out with a Fourier Transform Infrared (FTIR) Spectrometer to investigate the presence of absorbance peaks. The results suggested the existence of a relationship between the absorbed doses and the absorbance peaks associated with stretching (1300-1200 cm{sup -1}), deformation (1450-1340 cm{sup -1}) and vibration (1500-1400 cm{sup -1}) processes in the material. (author)

Evaluation of polybutadiene rubbers using FTIR spectra

International Nuclear Information System (INIS)

Oliveira, L.N.; Schimidt, F.; Antonio, P.L.; Caldas, L.V.E.; Vieira, S.L.

2017-01-01

Radiation dosimetry for medical and industrial purposes has increasingly evolved over the last few decades with the introduction of various new detectors. Depending on the properties exhibited for radiation dosimetry, some detectors present their applications in a specific area. From a physics point of view, an ideal dosimeter should be able to measure absorbed dose. In this work, synthetic materials based on polybutadiene rubbers (PBR) were proposed as a new class of radiation detectors. The influence of radiation dose on their properties has been investigated for application in radiation dosimetry. The rubber samples were exposed to absorbed doses from 10 Gy up to 250 Gy, using a "6"0Co Gamma Cell-220 system. Their responses were carried out with a Fourier Transform Infrared (FTIR) Spectrometer to investigate the presence of absorbance peaks. The results suggested the existence of a relationship between the absorbed doses and the absorbance peaks associated with stretching (1300-1200 cm"-"1), deformation (1450-1340 cm"-"1) and vibration (1500-1400 cm"-"1) processes in the material. (author)

Reagent-free determination of amikacin content in amikacin sulfate injections by FTIR derivative spectroscopy in a continuous flow system

Directory of Open Access Journals (Sweden)

José F. Ovalles

2014-04-01

Full Text Available The quantitative estimation of amikacin (AMK in AMK sulfate injection samples is reported using FTIR-derivative spectrometric method in a continuous flow system. Fourier transform of mid-IR spectra were recorded without any sample pretreatment. A good linear calibration (r>0.999, %RSD<2.0 in the range of 7.7–77.0 mg/mL was found. The results showed a good correlation with the manufacturer's and overall they all fell within acceptable limits of most pharmacopoeial monographs on AMK sulfate. Keywords: Amikacin, FTIR derivative spectrometry, Continuous flow system, Pharmaceutical preparation, Injection, Sulfate

Laser Scanning in Forests

Directory of Open Access Journals (Sweden)

Håkan Olsson

2012-09-01

Full Text Available The introduction of Airborne Laser Scanning (ALS to forests has been revolutionary during the last decade. This development was facilitated by combining earlier ranging lidar discoveries [1–5], with experience obtained from full-waveform ranging radar [6,7] to new airborne laser scanning systems which had components such as a GNSS receiver (Global Navigation Satellite System, IMU (Inertial Measurement Unit and a scanning mechanism. Since the first commercial ALS in 1994, new ALS-based forest inventory approaches have been reported feasible for operational activities [8–12]. ALS is currently operationally applied for stand level forest inventories, for example, in Nordic countries. In Finland alone, the adoption of ALS for forest data collection has led to an annual savings of around 20 M€/year, and the work is mainly done by companies instead of governmental organizations. In spite of the long implementation times and there being a limited tradition of making changes in the forest sector, laser scanning was commercially and operationally applied after about only one decade of research. When analyzing high-ranked journal papers from ISI Web of Science, the topic of laser scanning of forests has been the driving force for the whole laser scanning research society over the last decade. Thus, the topic “laser scanning in forests” has provided a significant industrial, societal and scientific impact. [...

[Application of FTIR micro-spectroscopy in the tribology].

Science.gov (United States)

Hu, Zhi-meng

2002-10-01

The wave number of characteristic absorption peak nu asC-O-C of the polyester formed on the frictional process were determined by Fourier Transform Infrared (FTIR) Micro-spectroscopy, and the wave number displacement of characteristic absorption peak nu asC-O-C was analyzed based on the conversion mass of polyester formed. The internal relations between anti-wear order rule of hydroxyl fatty acids and vibration absorption peak nu asC-O-C of polyester formed by hydroxyl fatty acids was deduced according to these results, and the anti-wear order of hydroxyl fatty acids was reasonably explained, that is 13, 14-di-hydroxydocosanoic acid > 13 (14)-monohydroxydocosanoic acid = 9,10-dihydroxyoctadecanoic acid > 9,10,12-trihydroxyoctadecanoic acid > 9(10)-monohydroxyoctadecanoic acid. A net polyester film is formed by 13, 14-dihydroxydocosanoic acid and a linear polyester film is formed by 9, (10)-monohydroxyoctadecanoic acid and 13(14)-monohydroxydocosanoic acid.

Characterization of silicon-oxide interfaces and organic monolayers by IR-UV ellipsometry and FTIR spectroscopy

Science.gov (United States)

Hess, P.; Patzner, P.; Osipov, A. V.; Hu, Z. G.; Lingenfelser, D.; Prunici, P.; Schmohl, A.

2006-08-01

VUV-laser-induced oxidation of Si(111)-(1×1):H, Si(100):H, and a-Si:H at 157 nm (F II laser) in pure O II and pure H IIO atmospheres was studied between 30°C and 250°C. The oxidation process was monitored in real time by spectroscopic ellipsometry (NIR-UV) and FTIR spectroscopy. The ellipsometric measurements could be simulated with a three-layer model, providing detailed information on the variation of the suboxide interface with the nature of the silicon substrate surface. Besides the silicon-dioxide and suboxide layer, a dense, disordered, roughly monolayer thick silicon layer was included, as found previously by molecular dynamics calculations. The deviations from the classical Deal-Grove mechanism and the self-limited growth of the ultrathin dioxide layers (TMS) groups and n-alkylthiol monolayers on gold-coated silicon. The C-H stretching vibrations of the methylene and methyl groups could be identified by FTIR spectroscopy and IR ellipsometry.

Nano-FTIR Spectroscopy to Investigate the Silicate Mineralogy of Mercury Analogues: Supporting MERTIS Onboard BepiColombo Mission

Science.gov (United States)

Varatharajan, I.; Maturilli, A.; Helbert, J.; Ulrich, G.; Born, K.; Namur, O.; Kästner, B.; Hecht, L.; Charlier, B.; Hiesinger, H.

2018-05-01

Nano-FTIR Spectroscopy is used to investigate the silicate mineralogy of synthetic Mercury analogues produced under reduced conditions representing different Mercury terrains. The study will support MERTIS payload onboard BepiColombo mission.

Determinação quantitativa da concentração de silicone em antiespumantes por espectroscopia FT-IR / ATR e calibração multivariada Quantitative determination of silicone in antifoaming products by FT-IR / ATR spectroscopy and multivariate calibration

Directory of Open Access Journals (Sweden)

Marcelo H. F. Garcia

2004-12-01

Full Text Available Neste trabalho apresentamos uma alternativa para a dosagem do teor de silicone (polidimetilsiloxano em antiespumantes por meio da técnica de espectroscopia no infravermelho com transformada de Fourier (FT-IR, com a utilização do acessório de reflectância total atenuada (ATR. Os espectros foram registrados na faixa espectral de 2500 a 780 cm-1, com resolução de 4 cm-1 e 128 varreduras. A calibração de um modelo linear por meio da utilização do método de mínimos quadrados parciais (PLS aplicado aos espectros foi capaz de determinar satisfatoriamente a concentração de silicone nas amostras. Este método é de extrema importância para indústrias produtoras de antiespumantes siliconados, uma vez que o desempenho de tais produtos geralmente é avaliado em função da viscosidade dos mesmos. Muitas vezes no processo de fabricação de tais produtos ocorre uma homogeneização incompleta do silicone no solvente, o que leva a resultados de viscosidade que não são representativos das amostras analisadas. A determinação da concentração do teor de silicone é uma importante ferramenta para o Controle Estatístico de Processo (CEP, pois evita o desperdício de matérias-primas empregadas na fabricação dos antiespumantes.This work presents an alternative method to determine the concentration of silicone (polydimethylsiloxane in antifoaming products using Fourier Transformed Infrared Spectroscopy (FT-IR with the attenuated total reflectance (ATR accessory. The spectra were recorded in the range from 2500 to 780 cm-1, with a resolution of 4 cm-1 and 128 scans. With calibration of a linear model using PLS regression method applied to spectral data we were able to determine the silicone concentration in the samples. This method may be useful for antifoaming producers since the performance of such products generally is evaluated as a function of their viscosity. Moreover, during manufacturing an incomplete homogenization of silicone in the

USING FOURIER TRANSFORM INFRARED (FTIR TO CHARACTERIZE TSUNAMI DEPOSITS IN NEAR-SHORE AND COASTAL WATERS OF THAILAND

Directory of Open Access Journals (Sweden)

S. Pongpiachan

2013-01-01

Full Text Available Understanding the tsunami cycle requires a simple method for identification of tsunami backwash deposits. This study investigates Fourier transform infrared (FTIR spectroscopy followed by careful analysis of variance (ANOVA, Gaussian distribution, hierarchical cluster analysis (HCA and principal component analysis (PCA for the discrimination of typical marine sediments and tsunami backwash deposits. In order to test the suitability of FTIR spectra as innovative methods for classifications of tsunami deposits, typical marine sediments and terrestrial soils were classified into three zones, namely zone-1 (i.e. typical marine sediments, zone-2 (i.e. including tsunami backwash deposits and zone-3 (i.e. coastal terrestrial soils. HCA was performed to group the spectra according to their spectral similarity in a dendrogram and successfully separate FTIR spectra of all three sampling zones into two main clusters with five sub-clusters. The simplicifolious (i.e. single-leafed type of dendrogram was observed with the strong dissimilarity of terrestrial components in subcluster- 5. Graphical displays of PC1 vs PC2 highlight the prominent features of zone-1, which is explicitly different from those of zone-2 and zone-3. The acceptable discrimination of typical marine sediments and tsunami backwash deposits, even six years after the tsunami on Boxing Day 2004, dramatically demonstrates the potential of the method for the identification of paleotsunami.

Scanning WorldScan. Final report on the presentation and evaluation of WorldScan, a model of the WORLD economy for SCenario ANalysis

International Nuclear Information System (INIS)

Geurts, B.; Gielen, A.; Nahuis, R.; Tang, P.; Timmer, H.

1997-01-01

An overview is given of the efforts made to present and evaluate WorldScan, a long-term model of the world economy, developed at the Dutch Central Planning Bureau (CPB). One of the pivotal activities was the organisation of a peer review of the model during a two-day workshop. The reviewers were selected both from the academic and the policy field. The main recommendations of that review were (a) not to pursue a formal, full-scale linkage between WorldScan and the RIVM-developed climate model IMAGE. Instead, WorldScan should be used for separate economic analyses, which is input in the climate model; (b) to make more precise choices with respect to the underlying theories the time horizon of the analyses; (c) to improve the empirical base of WorldScan; and (d) to enhance the use of WorldScan for policy analyses on behalf of international policy fora. The review proved to be very beneficial for the evolution of WorldScan. Implementation of some of the recommendations has led to increased use of the model by international institutions. Since the review, WorldScan has been used on behalf of the European Union (EU), the Organisation for Economic Cooperation and Development (OECD), the Energy Modelling Forum (EMF), the Centre for Global Trade Analysis (GTAP), the Chinese Academy of Social Sciences (CASS) and Indian Planning Commission (IPC). 110 refs

A hybrid thermal video and FTIR spectrometer system for rapidly locating and characterizing gas leaks

Science.gov (United States)

Williams, David J.; Wadsworth, Winthrop; Salvaggio, Carl; Messinger, David W.

2006-08-01

Undiscovered gas leaks, known as fugitive emissions, in chemical plants and refinery operations can impact regional air quality and present a loss of product for industry. Surveying a facility for potential gas leaks can be a daunting task. Industrial leak detection and repair programs can be expensive to administer. An efficient, accurate and cost effective method for detecting and quantifying gas leaks would both save industries money by identifying production losses and improve regional air quality. Specialized thermal video systems have proven effective in rapidly locating gas leaks. These systems, however, do not have the spectral resolution for compound identification. Passive FTIR spectrometers can be used for gas compound identification, but using these systems for facility surveys is problematic due to their small field of view. A hybrid approach has been developed that utilizes the thermal video system to locate gas plumes using real time visualization of the leaks, coupled with the high spectral resolution FTIR spectrometer for compound identification and quantification. The prototype hybrid video/spectrometer system uses a sterling cooled thermal camera, operating in the MWIR (3-5 μm) with an additional notch filter set at around 3.4 μm, which allows for the visualization of gas compounds that absorb in this narrow spectral range, such as alkane hydrocarbons. This camera is positioned alongside of a portable, high speed passive FTIR spectrometer, which has a spectral range of 2 - 25 μm and operates at 4 cm -1 resolution. This system uses a 10 cm telescope foreoptic with an onboard blackbody for calibration. The two units are optically aligned using a turning mirror on the spectrometer's telescope with the video camera's output.

Evaluation of Polymerization Efficacy in Composite Resins via FT-IR Spectroscopy and Vickers Microhardness Test

Directory of Open Access Journals (Sweden)

Tahereh-Sadat Jafarzadeh

2015-12-01

Full Text Available Background and aims. Polymerization efficacy affects the properties and performance of composite resin restorations.The purpose of this study was to evaluate the effectiveness of polymerization of two micro-hybrid, two nano-hybrid and one nano-filled ormocer-based composite resins, cured by two different light-curing systems, using Fourier transformation infrared (FT-IR spectroscopy and Vickers microhardness testing at two different depths (top surface, 2 mm. Materials and methods. For FT-IR spectrometry, five cylindrical specimens (5mm in diameter × 2 mm in length were prepared from each composite resin using Teflon molds and polymerized for 20 seconds. Then, 70-μm wafers were sectioned at the top surface and at2mm from the top surface. The degree of conversion for each sample was calculated using FT-IR spectroscopy. For Vickers micro-hardness testing, three cylindrical specimens were prepared from each composite resin and polymerized for 20 seconds. The Vickers microhardness test (Shimadzu, Type M, Japan was performed at the top and bottom (depth=2 mm surfaces of each specimen. Three-way ANOVA with independent variables and Tukey tests were performed at 95% significance level. Results. No significant differences were detected in degree of conversion and microhardness between LED and QTH light-curing units except for the ormocer-based specimen, CeramX, which exhibited significantly higher DC by LED. All the composite resins showed a significantly higher degree of conversion at the surface. Microhardness was not significantly affected by depth, except for Herculite XRV Ultra and CeramX, which showed higher values at the surface. Conclusion. Composite resins containing nano-particles generally exhibited more variations in degree of conversion and microhardness.

Evaluation of Polymerization Efficacy in Composite Resins via FT-IR Spectroscopy and Vickers Microhardness Test.

Science.gov (United States)

Jafarzadeh, Tahereh-Sadat; Erfan, Mohammad; Behroozibakhsh, Marjan; Fatemi, Mostafa; Masaeli, Reza; Rezaei, Yashar; Bagheri, Hossein; Erfan, Yasaman

2015-01-01

Background and aims. Polymerization efficacy affects the properties and performance of composite resin restorations.The purpose of this study was to evaluate the effectiveness of polymerization of two micro-hybrid, two nano-hybrid and one nano-filled ormocer-based composite resins, cured by two different light-curing systems, using Fourier transformation infrared (FT-IR) spectroscopy and Vickers microhardness testing at two different depths (top surface, 2 mm). Materials and methods. For FT-IR spectrometry, five cylindrical specimens (5mm in diameter × 2 mm in length) were prepared from each composite resin using Teflon molds and polymerized for 20 seconds. Then, 70-μm wafers were sectioned at the top surface and at2mm from the top surface. The degree of conversion for each sample was calculated using FT-IR spectroscopy. For Vickers micro-hardness testing, three cylindrical specimens were prepared from each composite resin and polymerized for 20 seconds. The Vickers microhardness test (Shimadzu, Type M, Japan) was performed at the top and bottom (depth=2 mm) surfaces of each specimen. Three-way ANOVA with independent variables and Tukey tests were performed at 95% significance level. Results. No significant differences were detected in degree of conversion and microhardness between LED and QTH light-curing units except for the ormocer-based specimen, CeramX, which exhibited significantly higher DC by LED. All the composite resins showed a significantly higher degree of conversion at the surface. Microhardness was not significantly affected by depth, except for Herculite XRV Ultra and CeramX, which showed higher values at the surface. Conclusion. Composite resins containing nano-particles generally exhibited more variations in degree of conversion and microhardness.

A calibration method for the measurement of IR detector spectral responses using a FTIR spectrometer equipped with a DTGS reference cell

Science.gov (United States)

Gravrand, Olivier; Wlassow, J.; Bonnefond, L.

2014-07-01

transfert function of the DTGS has to be qualified and taken into account. The usual way is to measure it directly by means of an optical shopper and a locking amplifier for different shopping frequencies. We present here an alternative method to estimate this DTGS transfer function, based on the fact that a FTIR continuous scan interfergram contains the different spectral frequencies of interest. Such a calibration method doesn't need a specific setup as it can be performed in standard configuration, playing only with spectrometer parameters. It allows for the precise estimation of detector spectral shapes. However, this measurement is not absolute and the peak response needs therefore to be estimated using a calibrated black body cavity. The method, its results and limits is presented and discussed for a set of different DTGS cells.

Codification of scan path parameters and development of perimeter scan strategies for 3D bowl-shaped laser forming

Science.gov (United States)

Tavakoli, A.; Naeini, H. Moslemi; Roohi, Amir H.; Gollo, M. Hoseinpour; Shahabad, Sh. Imani

2018-01-01

In the 3D laser forming process, developing an appropriate laser scan pattern for producing specimens with high quality and uniformity is critical. This study presents certain principles for developing scan paths. Seven scan path parameters are considered, including: (1) combined linear or curved path; (2) type of combined linear path; (3) order of scan sequences; (4) the position of the start point in each scan; (5) continuous or discontinuous scan path; (6) direction of scan path; and (7) angular arrangement of combined linear scan paths. Regarding these path parameters, ten combined linear scan patterns are presented. Numerical simulations show continuous hexagonal, scan pattern, scanning from outer to inner path, is the optimized. In addition, it is observed the position of the start point and the angular arrangement of scan paths is the most effective path parameters. Also, further experimentations show four sequences due to creat symmetric condition enhance the height of the bowl-shaped products and uniformity. Finally, the optimized hexagonal pattern was compared with the similar circular one. In the hexagonal scan path, distortion value and standard deviation rather to edge height of formed specimen is very low, and the edge height despite of decreasing length of scan path increases significantly compared to the circular scan path. As a result, four-sequence hexagonal scan pattern is proposed as the optimized perimeter scan path to produce bowl-shaped product.

Studies on electrochemical hydrodebromination mechanism of 2,5-dibromobenzoic acid on Ag electrode by in situ FTIR spectroscopy

International Nuclear Information System (INIS)

Li Meichao; Bao Dandan; Ma Chunan

2011-01-01

Research highlights: → Silver is a good catalyst for the hydrodebromination of 2,5-dibromobenzoic acid. → 3-Bromobenzoic acid as main intermediate product. → The finally product is benzoic acid. → In situ FTIR is useful to study the electrochemical hydrodebromination mechanism. - Abstract: Cyclic voltammetry and in situ FTIR were employed to study the electrochemical hydrodebromination (EHB) mechanism of 2,5-dibromobenzoic acid (2,5-DBBA) in NaOH solution. Compared with titanium and graphite electrodes, silver electrode exhibited a high electrocatalytic activity for the hydrodebromination reaction of 2,5-DBBA. On the basis of in situ FTIR data, EHB reaction of 2,5-DBBA on Ag cathode might be represented as a sequence of electron additions and bromine expulsions. Firstly, from potential at approximately -1100 mV, 2,5-DBBA received an electron to form 2,5-DBBA radical anion, which lost a bromine ion in the 2-position to form 3-bromobenzoic acid (3-BBA) free radical. Then the free radical received a proton to give 3-BBA. Finally, 3-BBA further took off another bromine ion to produce benzoic acid free radical and the end product benzoic acid was obtained by receiving another electron and a proton with the potential shifting to more negative values.

2D FTIR correlation spectroscopy and EPR analysis of Urtica dioica leaves from areas of different environmental pollution.

Science.gov (United States)

Moskal, Paulina; Wesełucha-Birczyńska, Aleksandra; Łabanowska, Maria; Kurdziel, Magdalena; Filek, Maria

2018-01-15

Leaves of Urtica dioica collected from two areas of different environmental pollution were analysed by fourier transform infrared spectroscopy (FTIR) and electron paramagnetic resonance (EPR) spectroscopy. Analysis of FTIR spectra allows to describe main component of plant like proteins, lipids and carbohydrates. Although the FTIR spectra of plants from these two geographical locations of different environmental pollution appear to be relatively similar, 2D correlation shows completely different patterns. Synchronous and asynchronous correlation maps showed sequences of changes occurring during development of plant, manly in Amide I and Amide II, lignin, lipids and cellulose. In addition, 2D analysis revealed another sequence of changes as the function of plant growth depending on the degree of the environmental pollution. Two various kinds of paramagnetic species, transition metal ions (Mn(II), Fe(III)) and stable organic radicals (chlorophyll, semiquinone, tyrosyl and carbon centered) were found in leaves of nettle collected at different stages of development and growing in clean and polluted environment. In plants growing in polluted area the injuries of protein molecules bonding metal ions and the disturbances of photosynthesis and redox equilibrium in cells, as well as instability of polysaccharide structure of cell walls were observed. Copyright © 2017 Elsevier B.V. All rights reserved.

Fourier Transform Infrared Spectroscopy as a Tool in Analysis of Proteus mirabilis Endotoxins.

Science.gov (United States)

Żarnowiec, Paulina; Czerwonka, Grzegorz; Kaca, Wiesław

2017-01-01

Fourier transform infrared spectroscopy (FT-IR) was used to scan whole bacterial cells as well as lipopolysaccharides (LPSs, endotoxins) isolated from them. Proteus mirabilis cells, with chemically defined LPSs, served as a model for the ATR FT-IR method. The paper focuses on three steps of infrared spectroscopy: (1) sample preparation, (2) IR scanning, and (3) multivariate analysis of IR data (principal component analysis, PCA).

Analysis of H2O in silicate glass using attenuated total reflectance (ATR) micro-FTIR spectroscopy

Science.gov (United States)

Lowenstern, Jacob B.; Pitcher, Bradley W.

2013-01-01

We present a calibration for attenuated total reflectance (ATR) micro-FTIR for analysis of H2O in hydrous glass. A Ge ATR accessory was used to measure evanescent wave absorption by H2O within hydrous rhyolite and other standards. Absorbance at 3450 cm−1 (representing total H2O or H2Ot) and 1630 cm−1 (molecular H2O or H2Om) showed high correlation with measured H2O in the glasses as determined by transmission FTIR spectroscopy and manometry. For rhyolite, wt%H2O=245(±9)×A3450-0.22(±0.03) and wt%H2Om=235(±11)×A1630-0.20(±0.03) where A3450 and A1630 represent the ATR absorption at the relevant infrared wavelengths. The calibration permits determination of volatiles in singly polished glass samples with spot size down to ~5 μm (for H2O-rich samples) and detection limits of ~0.1 wt% H2O. Basaltic, basaltic andesite and dacitic glasses of known H2O concentrations fall along a density-adjusted calibration, indicating that ATR is relatively insensitive to glass composition, at least for calc-alkaline glasses. The following equation allows quantification of H2O in silicate glasses that range in composition from basalt to rhyolite: wt%H2O=(ω×A3450/ρ)+b where ω = 550 ± 21, b = −0.19 ± 0.03, ρ = density, in g/cm3, and A3450 is the ATR absorbance at 3450 cm−1. The ATR micro-FTIR technique is less sensitive than transmission FTIR, but requires only a singly polished sample for quantitative results, thus minimizing time for sample preparation. Compared with specular reflectance, it is more sensitive and better suited for imaging of H2O variations in heterogeneous samples such as melt inclusions. One drawback is that the technique can damage fragile samples and we therefore recommend mounting of unknowns in epoxy prior to polishing. Our calibration should hold for any Ge ATR crystals with the same incident angle (31°). Use of a different crystal type or geometry would require measurement of several H2O-bearing standards to provide a crystal

Characterization of Paracoccidioides brasiliensis by FT-IR spectroscopy and nanotechnology

Science.gov (United States)

Ferreira, Isabelle; Ferreira-Strixino, Juliana; Castilho, Maiara L.; Campos, Claudia B. L.; Tellez, Claudio; Raniero, Leandro

2016-01-01

Paracoccidioides brasiliensis, the etiological agent of paracoccidioidomycosis, is a dimorphic fungus existing as mycelia in the environment (or at 25 °C in vitro) and as yeast cells in the human host (or at 37 °C in vitro). Because mycological examination of lesions in patients frequently is unable to show the presence of the fungus and serological tests can misdiagnose the disease with other mycosis, the development of new approach's for molecular identification of P. brasiliensis spurges is needed. This study describes the use of a gold nanoprobe of a known gene sequence of P. brasiliensis as a molecular tool to identify P. brasiliensis by regular polymerase chain reaction (PCR) associated with a colorimetric methods. This approach is suitable for testing in remote areas because it does not require any further step than gene amplification, being safer and cheaper than electrophoresis methods. The proposed test showed a color change of the PCR reaction mixture from red to blue in negative samples, whereas the solution remains red in positive samples. We also performed a Fourier Transform Infrared (FT-IR) Spectroscopy analysis to characterize and compare the chemical composition between yeast and mycelia forms, which revealed biochemical differences between these two forms. The analysis of the spectra showed that differences were distributed in chemical bonds of proteins, lipids and carbohydrates. The most prominent difference between both forms was vibration modes related to 1,3-β-glucan usually found in mycelia and 1,3-α-glucan found in yeasts and also chitin forms. In this work, we introduce FT-IR as a new method suitable to reveal overall differences that biochemically distinguish each form of P. brasiliensis that could be additionally used to discriminate biochemical differences among a single form under distinct environmental conditions.

The thermal analysis of poly(ethylene terephthalate) by FTIR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Chen, Ziyu [The School of Metallurgy and Materials, The College of Physical Sciences and Engineering, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Hay, J.N., E-mail: j.n.hay@bham.ac.uk [The School of Metallurgy and Materials, The College of Physical Sciences and Engineering, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Jenkins, M.J. [The School of Metallurgy and Materials, The College of Physical Sciences and Engineering, The University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

2013-01-20

Graphical abstract: Changes to infra-red spectra of poly(ethylene terephthalate) on heating and cooling. Highlights: Black-Right-Pointing-Pointer Microgram samples have been analysed to determine glass transition, crystallization and melting behaviour of PET. Black-Right-Pointing-Pointer The absorbance of cis/trans bands have been followed with temperature on heating and cooling. Black-Right-Pointing-Pointer Fractional crystallinity was determined directly without calibration. Black-Right-Pointing-Pointer The IR absorption bands are characterized as type I or type II according to their behaviour with temperature. - Abstract: Thermal analysis-FTIR spectroscopy, TA-FTIR, has been used to characterize the phase transitions in thin films of poly(ethylene terephthalate) and it has been shown to have distinct advantages over other TA techniques in particular it was not so limited in sensitivity. Since the technique measured property, such as amorphous content or fractional crystallinity directly rather than the rate of change of the properties with time or temperature, it was not so restricted in the time scale over which measurements were made. It also had the advantage of measuring the change in concentration of different functional groups with temperature and determining the temperature range over which chain mobility set in and defining the type of molecular groups involved in the configurational changes. The change in absorbance and shift in peak position with temperature are discussed in terms of the separation of crystalline and amorphous bands as well as defining the cis/trans ratio as a function of temperature. Depending on the change in absorbance or peak position with temperature of the IR bands, they have been characterized as type I or type II behaviour. Measurements on both have been used to characterize the glass transition, crystallization and melting behaviour of PET.

The thermal analysis of poly(ethylene terephthalate) by FTIR spectroscopy

International Nuclear Information System (INIS)

Chen, Ziyu; Hay, J.N.; Jenkins, M.J.

2013-01-01

Graphical abstract: Changes to infra-red spectra of poly(ethylene terephthalate) on heating and cooling. Highlights: ► Microgram samples have been analysed to determine glass transition, crystallization and melting behaviour of PET. ► The absorbance of cis/trans bands have been followed with temperature on heating and cooling. ► Fractional crystallinity was determined directly without calibration. ► The IR absorption bands are characterized as type I or type II according to their behaviour with temperature. - Abstract: Thermal analysis-FTIR spectroscopy, TA-FTIR, has been used to characterize the phase transitions in thin films of poly(ethylene terephthalate) and it has been shown to have distinct advantages over other TA techniques in particular it was not so limited in sensitivity. Since the technique measured property, such as amorphous content or fractional crystallinity directly rather than the rate of change of the properties with time or temperature, it was not so restricted in the time scale over which measurements were made. It also had the advantage of measuring the change in concentration of different functional groups with temperature and determining the temperature range over which chain mobility set in and defining the type of molecular groups involved in the configurational changes. The change in absorbance and shift in peak position with temperature are discussed in terms of the separation of crystalline and amorphous bands as well as defining the cis/trans ratio as a function of temperature. Depending on the change in absorbance or peak position with temperature of the IR bands, they have been characterized as type I or type II behaviour. Measurements on both have been used to characterize the glass transition, crystallization and melting behaviour of PET.

Honey bee odorant-binding protein 14: effects on thermal stability upon odorant binding revealed by FT-IR spectroscopy and CD measurements.

Science.gov (United States)

Schwaighofer, Andreas; Kotlowski, Caroline; Araman, Can; Chu, Nam; Mastrogiacomo, Rosa; Becker, Christian; Pelosi, Paolo; Knoll, Wolfgang; Larisika, Melanie; Nowak, Christoph

2014-03-01

In the present work, we study the effect of odorant binding on the thermal stability of honey bee (Apis mellifera L.) odorant-binding protein 14. Thermal denaturation of the protein in the absence and presence of different odorant molecules was monitored by Fourier transform infrared spectroscopy (FT-IR) and circular dichroism (CD). FT-IR spectra show characteristic bands for intermolecular aggregation through the formation of intermolecular β-sheets during the heating process. Transition temperatures in the FT-IR spectra were evaluated using moving-window 2D correlation maps and confirmed by CD measurements. The obtained results reveal an increase of the denaturation temperature of the protein when bound to an odorant molecule. We could also discriminate between high- and low-affinity odorants by determining transition temperatures, as demonstrated independently by the two applied methodologies. The increased thermal stability in the presence of ligands is attributed to a stabilizing effect of non-covalent interactions between odorant-binding protein 14 and the odorant molecule.

Ground-based FTIR measurements of CO from the Jungfraujoch: characterisation and comparison with in situ surface and MOPITT data

Directory of Open Access Journals (Sweden)

B. Barret

2003-01-01

Full Text Available CO vertical profiles have been retrieved from solar absorption FTIR spectra recorded at the NDSC station of the Jungfraujoch (46.5º N, 8º E and 3580 m a.s.l. for the period from January 1997 to May 2001. The characterisation of these profiles has been established by an information content analysis and an estimation of the error budgets. A partial validation of the profiles has been performed through comparisons with correlative measurements. The average volume mixing ratios (vmr in the 3 km layer above the station have been compared with coincident surface measurements. The agreement between monthly means from both measurement techniques is very good, with a correlation coefficient of 0.87, and no significant bias observed. The FTIR total columns have also been compared to CO partial columns above 3580 m a.s.l. derived from the MOPITT (Measurement Of Pollution In The Troposphere instrument for the period March 2000 to May 2001. Relative to the FTIR columns, the MOPITT partial columns exhibit a positive bias of 8±8% for daytime and of 4±7% for nighttime measurements.

Scanning tunneling microscopy III theory of STM and related scanning probe methods

CERN Document Server

Güntherodt, Hans-Joachim

1996-01-01

Scanning Tunneling Microscopy III provides a unique introduction to the theoretical foundations of scanning tunneling microscopy and related scanning probe methods. The different theoretical concepts developed in the past are outlined, and the implications of the theoretical results for the interpretation of experimental data are discussed in detail. Therefore, this book serves as a most useful guide for experimentalists as well as for theoreticians working in the filed of local probe methods. In this second edition the text has been updated and new methods are discussed.

Scanning device for a spectrometer

International Nuclear Information System (INIS)

Ignat'ev, V.M.

1982-01-01

The invention belongs to scanning devices and is intended for spectrum scanning in spectral devices. The purpose of the invention is broadening of spectral scanning range. The device construction ensures the spectrum scanning range determined from revolution fractions to several revolutions of the monochromator drum head, any number of the drum head revolutions determined by integral number with addition of the drum revolution fractions with high degree of accuracy being possible

Identification Content of the Red Dragon Fruit Extract Skin Using Fourier Transform Infrared (FTIR and Phytochemistry

Directory of Open Access Journals (Sweden)

Muhammad Ilham Noor

2016-08-01

Full Text Available Corrosion is a decline in the quality of the metal due to electrochemical reaction between the metal by a corrosive medium. One effort to reduce the rate of corrosion is by adding inhibitors. Organic inhibitors that can be used include antioxidants and vitamin C. To determine both the content of the test method is used Fourier Transform Infrared (FTIR and phytochemicals. FTIR is a method to measure used to determine the group and the type of bonding of a compound based on the value of the wave number of a plant. Phytochemical screening is a test of the qualitative secondary metabolites biologically active compounds found in plants. In this study used a sample of red dragon fruit. The results of the analysis provide information regarding the types of biologically active compounds and levels of the active compound contained in the red dragon fruit.

Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis

Science.gov (United States)

Hatanaka, Rafael Rodrigues; Flumignan, Danilo Luiz; de Oliveira, José Eduardo

2018-01-01

Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10), 50% (T50), and 85% (T85) recovery; cetane index; and biodiesel content) through attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and the multivariate regression method, partial least square (PLS). For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000–650 cm−1. The use of the multivariate filters, generalized least squares weighting (GLSW) and orthogonal signal correction (OSC), was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS), backward interval PLS (BiPLS), and genetic algorithm (GA). The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time. PMID:29629209

Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis

Directory of Open Access Journals (Sweden)

Maurilio Gustavo Nespeca

2018-01-01

Full Text Available Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10, 50% (T50, and 85% (T85 recovery; cetane index; and biodiesel content through attenuated total reflection Fourier transform infrared (ATR-FTIR spectroscopy and the multivariate regression method, partial least square (PLS. For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000–650 cm−1. The use of the multivariate filters, generalized least squares weighting (GLSW and orthogonal signal correction (OSC, was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS, backward interval PLS (BiPLS, and genetic algorithm (GA. The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time.

Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis.

Science.gov (United States)

Nespeca, Maurilio Gustavo; Hatanaka, Rafael Rodrigues; Flumignan, Danilo Luiz; de Oliveira, José Eduardo

2018-01-01

Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10), 50% (T50), and 85% (T85) recovery; cetane index; and biodiesel content) through attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and the multivariate regression method, partial least square (PLS). For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000-650 cm -1 . The use of the multivariate filters, generalized least squares weighting (GLSW) and orthogonal signal correction (OSC), was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS), backward interval PLS (BiPLS), and genetic algorithm (GA). The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time.

Hydrogenated fullerenes in space: FT-IR spectra analysis

Energy Technology Data Exchange (ETDEWEB)

El-Barbary, A. A. [Physics Department, Faculty of Education, Ain-Shams University, Cairo, Egypt Physics Department, Faculty of Science, Jazan University, Jazan (Saudi Arabia)

2016-06-10

Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C{sub 20} and C{sub 60} fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H{sub 2} molecule at peak around 4440 cm{sup −1}. However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

Hydrogenated fullerenes in space: FT-IR spectra analysis

International Nuclear Information System (INIS)

El-Barbary, A. A.

2016-01-01

Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C 20 and C 60 fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H 2 molecule at peak around 4440 cm −1 . However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

Preoperative bone scans

International Nuclear Information System (INIS)

Charkes, N.D.; Malmud, L.S.; Caswell, T.; Goldman, L.; Hall, J.; Lauby, V.; Lightfoot, W.; Maier, W.; Rosemond, G.

1975-01-01

Strontium nitrate Sr-87m bone scans were made preoperatively in a group of women with suspected breast cancer, 35 of whom subsequently underwent radical mastectomy. In 3 of the 35 (9 percent), the scans were abnormal despite the absence of clinical or roentgenographic evidence of metastatic disease. All three patients had extensive axillary lymph node involvement by tumor, and went on to have additional bone metastases, from which one died. Roentgenograms failed to detect the metastases in all three. Occult bone metastases account in part for the failure of radical mastectomy to cure some patients with breast cancer. It is recommended that all candidates for radical mastectomy have a preoperative bone scan. (U.S.)

CFC-11, CFC-12 and HCFC-22 ground-based remote sensing FTIR measurements at Réunion Island and comparisons with MIPAS/ENVISAT data

Directory of Open Access Journals (Sweden)

M. Zhou

2016-11-01

Full Text Available Profiles of CFC-11 (CCl3F, CFC-12 (CCl2F2 and HCFC-22 (CHF2Cl have been obtained from Fourier transform infrared (FTIR solar absorption measurements above the Saint-Denis (St Denis and Maïdo sites at Réunion Island (21° S, 55° E with low vertical resolution. FTIR profile retrievals are performed by the well-established SFIT4 program and the detail retrieval strategies along with the systematic/random uncertainties of CFC-11, CFC-12 and HCFC-22 are discussed in this study. The FTIR data of all three species are sensitive to the whole troposphere and the lowermost stratosphere, with the peak sensitivity between 5 and 10 km. The ground-based FTIR data have been compared with the collocated Michelson Interferometer for Passive Atmospheric Sounding (MIPAS/ENVISAT data and found to be in good agreement: the observed mean relative biases and standard deviations of the differences between the smoothed MIPAS and FTIR partial columns (6–30 km are (−4.3 and 4.4 %, (−2.9 and 4.6 % and (−0.7 and 4.8 % for CFC-11, CFC-12 and HCFC-22, respectively, which are within the combined error budgets from both measurements. The season cycles of CFC-11, CFC-12 and HCFC-22 from FTIR measurements and MIPAS data show a similar variation: concentration is highest in February–April and lowest in August–October. The trends derived from the combined St Denis and Maïdo FTIR time series are −0.86 ± 0.12 and 2.84 ± 0.06 % year−1 for CFC-11 and HCFC-22, respectively, for the period 2004 to 2016, and −0.76 ± 0.05 % year−1 for CFC-12 for 2009 to 2016. These measurements are consistent with the trends observed by the National Oceanic and Atmospheric Administration (NOAA Global Monitoring Division's (GMD Halocarbons & other Atmospheric Trace Species Group (HATS measurements at Samoa (14.2° S, 170.5° W for CFC-11 (−0.87 ± 0.04 % year−1, but slightly weaker for HCFC-22 (3.46 ± 0.05 % year−1 and

Bone scan in pediatrics

International Nuclear Information System (INIS)

Gordon, I.; Peters, A.M.

1987-01-01

In 1984, a survey carried out in 21 countries in Europe showed that bone scintigraphy comprised 16% of all paediatric radioisotope scans. Although the value of bone scans in paediatrics is potentially great, their quality varies greatly, and poor-quality images are giving this valuable technique a bad reputation. The handling of children requires a sensitive staff and the provision of a few simple inexpensive items of distraction. Attempting simply to scan a child between two adult patients in a busy general department is a recipe for an unhappy, uncooperative child with the probable result of poor images. The intravenous injection of isotope should be given adjacent to the gamma camera room, unless dynamic scans are required, so that the child does not associate the camera with the injection. This injection is best carried out by someone competent in paediatric venipunture; the entire procedure should be explained to the child and parent, who should remain with child throughout. It is naive to think that silence makes for a cooperative child. The sensitivity of bone-seeking radioisotope tracers and the marked improvement in gamma camera resolution has allowed the bone scanning to become an integrated technique in the assessment of children suspected of suffering from pathological bone conditions. The tracer most commonly used for routine bone scanning is 99m Tc diphosphonate (MDP); other isotopes used include 99m Tc colloid for bone marrow scans and 67 Ga citrate and 111 In white blood cells ( 111 In WBC) for investigation of inflammatory/infective lesions

The utility of repeat sestamibi scans in patients with primary hyperparathyroidism after an initial negative scan.

Science.gov (United States)

Krishnamurthy, Vikram D; Sound, Sara; Okoh, Alexis K; Yazici, Pinar; Yigitbas, Hakan; Neumann, Donald; Doshi, Krupa; Berber, Eren

2017-06-01

We analyzed the utility of repeated sestambi scans in patients with primary hyperparathyroidism and its effects on operative referral. We carried out a retrospective review of patients with primary hyperparathyroidism who underwent repeated sestambi scans exclusively within our health system between 1996-2015. Patient demographic, presentation, laboratory, imaging, operative, and pathologic data were reviewed. Univariate analysis with JMP Pro v12 was used to identify factors associated with conversion from an initial negative to a subsequent positive scan. After exclusion criteria (including reoperations), we identified 49 patients in whom 59% (n = 29) of subsequent scans remained negative and 41% (n = 20) converted to positive. Factors associated with an initial negative to a subsequent positive scan included classic presentation and second scans with iodine subtraction (P = .04). Nonsurgeons were less likely to order an iodine-subtraction scan (P < .05). Fewer patients with negative imaging were referred to surgery (33% vs 100%, P = .005), and median time to operation after the first negative scan was 25 months (range 1.4-119). Surgeon-performed ultrasonography had greater sensitivity and positive predictive value than repeated sestamibi scans. Negative sestambi scans decreased and delayed operative referral. Consequently, we identified several process improvement initiatives, including education regarding superior institutional imaging. Combining all findings, we created an algorithm for evaluating patients with primary hyperparathyroidism after initially negative sestamibi scans, which incorporates surgeon-performed ultrasonography. Copyright © 2016 Elsevier Inc. All rights reserved.

Bone scan and red blood cell scan in a patient with epidermal naevus syndrome

International Nuclear Information System (INIS)

Becker, W.; Wolf, F.; Stosiek, N.; Peters, K.P.

1990-01-01

A bone scan and red blood cell scan in the rare epidermal naevus syndrome, associated with multiple haemangiomes of the bone and hypophosphataemic osteomalacia in a 20-year-old man are reported. The typical pattern of osteomalacia on the bone scan was associated with lesions of increased bone metabolism in the peripheral bones. The haemangiomas did not pool labelled red blood cells. Thus, the bone scan seems to be suited for diagnosing the complete extent of haemangiomas in bone, but they could not be specifically proven by red blood cell pooling. (orig.)

Internal scanning method as unique imaging method of optical vortex scanning microscope

Science.gov (United States)

Popiołek-Masajada, Agnieszka; Masajada, Jan; Szatkowski, Mateusz

2018-06-01

The internal scanning method is specific for the optical vortex microscope. It allows to move the vortex point inside the focused vortex beam with nanometer resolution while the whole beam stays in place. Thus the sample illuminated by the focused vortex beam can be scanned just by the vortex point. We show that this method enables high resolution imaging. The paper presents the preliminary experimental results obtained with the first basic image recovery procedure. A prospect of developing more powerful tools for topography recovery with the optical vortex scanning microscope is discussed shortly.

Detection and differentiation of bacterial spores in a mineral matrix by Fourier transform infrared spectroscopy (FTIR and chemometrical data treatment

Directory of Open Access Journals (Sweden)

Brandes Ammann Andrea

2011-07-01

Full Text Available Abstract Background Fourier transform infrared spectroscopy (FTIR has been used as analytical tool in chemistry for many years. In addition, FTIR can also be applied as a rapid and non-invasive method to detect and identify microorganisms. The specific and fingerprint-like spectra allow - under optimal conditions - discrimination down to the species level. The aim of this study was to develop a fast and reproducible non-molecular method to differentiate pure samples of Bacillus spores originating from different species as well as to identify spores in a simple matrix, such as the clay mineral, bentonite. Results We investigated spores from pure cultures of seven different Bacillus species by FTIR in reflection or transmission mode followed by chemometrical data treatment. All species investigated (B. atrophaeus, B. brevis, B. circulans, B. lentus, B. megaterium, B. subtilis, B. thuringiensis are typical aerobic soil-borne spore formers. Additionally, a solid matrix (bentonite and mixtures of benonite with spores of B. megaterium at various wt/wt ratios were included in the study. Both hierarchical cluster analysis and principal component analysis of the spectra along with multidimensional scaling allowed the discrimination of different species and spore-matrix-mixtures. Conclusions Our results show that FTIR spectroscopy is a fast method for species-level discrimination of Bacillus spores. Spores were still detectable in the presence of the clay mineral bentonite. Even a tenfold excess of bentonite (corresponding to 2.1 × 1010 colony forming units per gram of mineral matrix still resulted in an unambiguous identification of B. megaterium spores.

Identification and characterization of salmonella serotypes using DNA spectral characteristics by fourier transform infrared (FT-IR) spectroscopy

Science.gov (United States)

Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

Mouse manipulation through single-switch scanning.

Science.gov (United States)

Blackstien-Adler, Susie; Shein, Fraser; Quintal, Janet; Birch, Shae; Weiss, Patrice L Tamar

2004-01-01

Given the current extensive reliance on the graphical user interface, independent access to computer software requires that users be able to manipulate a pointing device of some type (e.g., mouse, trackball) or be able to emulate a mouse by some other means (e.g., scanning). The purpose of the present study was to identify one or more optimal single-switch scanning mouse emulation strategies. Four alternative scanning strategies (continuous Cartesian, discrete Cartesian, rotational, and hybrid quadrant/continuous Cartesian) were selected for testing based on current market availability as well as on theoretical considerations of their potential speed and accuracy. Each strategy was evaluated using a repeated measures study design by means of a test program that permitted mouse emulation via any one of four scanning strategies in a motivating environment; response speed and accuracy could be automatically recorded and considered in view of the motor, cognitive, and perceptual demands of each scanning strategy. Ten individuals whose disabilities required them to operate a computer via single-switch scanning participated in the study. Results indicated that Cartesian scanning was the preferred and most effective scanning strategy. There were no significant differences between results from the Continuous Cartesian and Discrete Cartesian scanning strategies. Rotational scanning was quite slow with respect to the other strategies, although it was equally accurate. Hybrid Quadrant scanning improved access time but at the cost of fewer correct selections. These results demonstrated the importance of testing and comparing alternate single-switch scanning strategies.

Comparison of dimensional accuracy of digital dental models produced from scanned impressions and scanned stone casts

Science.gov (United States)

Subeihi, Haitham

Introduction: Digital models of dental arches play a more and more important role in dentistry. A digital dental model can be generated by directly scanning intraoral structures, by scanning a conventional impression of oral structures or by scanning a stone cast poured from the conventional impression. An accurate digital scan model is a fundamental part for the fabrication of dental restorations. Aims: 1. To compare the dimensional accuracy of digital dental models produced by scanning of impressions versus scanning of stone casts. 2. To compare the dimensional accuracy of digital dental models produced by scanning of impressions made of three different materials (polyvinyl siloxane, polyether or vinyl polyether silicone). Methods and Materials: This laboratory study included taking addition silicone, polyether and vinyl polyether silicone impressions from an epoxy reference model that was created from an original typodont. Teeth number 28 and 30 on the typodont with a missing tooth number 29 were prepared for a metal-ceramic three-unit fixed dental prosthesis with tooth #29 being a pontic. After tooth preparation, an epoxy resin reference model was fabricated by duplicating the typodont quadrant that included the tooth preparations. From this reference model 12 polyvinyl siloxane impressions, 12 polyether impressions and 12 vinyl polyether silicone impressions were made. All 36 impressions were scanned before pouring them with dental stone. The 36 dental stone casts were, in turn, scanned to produce digital models. A reference digital model was made by scanning the reference model. Six groups of digital models were produced. Three groups were made by scanning of the impressions obtained with the three different materials, the other three groups involved the scanning of the dental casts that resulted from pouring the impressions made with the three different materials. Groups of digital models were compared using Root Mean Squares (RMS) in terms of their

Gas monitoring onboard ISS using FTIR spectroscopy

Science.gov (United States)

Gisi, Michael; Stettner, Armin; Seurig, Roland; Honne, Atle; Witt, Johannes; Rebeyre, Pierre

2017-06-01

In the confined, enclosed environment of a spacecraft, the air quality must be monitored continuously in order to safeguard the crew's health. For this reason, OHB builds the ANITA2 (Analysing Interferometer for Ambient Air) technology demonstrator for trace gas monitoring onboard the International Space Station (ISS). The measurement principle of ANITA2 is based on the Fourier Transform Infrared (FTIR) technology with dedicated gas analysis software from the Norwegian partner SINTEF. This combination proved to provide high sensitivity, accuracy and precision for parallel measurements of 33 trace gases simultaneously onboard ISS by the precursor instrument ANITA1. The paper gives a technical overview about the opto-mechanical components of ANITA2, such as the interferometer, the reference Laser, the infrared source and the gas cell design and a quick overview about the gas analysis. ANITA2 is very well suited for measuring gas concentrations specifically but not limited to usage onboard spacecraft, as no consumables are required and measurements are performed autonomously. ANITA2 is a programme under the contract of the European Space Agency, and the air quality monitoring system is a stepping stone into the future, as a precursor system for manned exploration missions.

Factors influencing bone scan quality

International Nuclear Information System (INIS)

Adams, F.G.; Shirley, A.W.

1983-01-01

A reliable subjective method of assessing bone scan quality is described. A large number of variables which theoretically could influence scan quality were submitted to regression and factor analysis. Obesity, age, sex and abnormality of scan were found to be significant but weak variables. (orig.)

Investigating the effect of pixel size of high spatial resolution FTIR imaging for detection of colorectal cancer

Science.gov (United States)

Lloyd, G. R.; Nallala, J.; Stone, N.

2016-03-01

FTIR is a well-established technique and there is significant interest in applying this technique to medical diagnostics e.g. to detect cancer. The introduction of focal plane array (FPA) detectors means that FTIR is particularly suited to rapid imaging of biopsy sections as an adjunct to digital pathology. Until recently however each pixel in the image has been limited to a minimum of 5.5 µm which results in a comparatively low magnification image or histology applications and potentially the loss of important diagnostic information. The recent introduction of higher magnification optics gives image pixels that cover approx. 1.1 µm. This reduction in image pixel size gives images of higher magnification and improved spatial detail can be observed. However, the effect of increasing the magnification on spectral quality and the ability to discriminate between disease states is not well studied. In this work we test the discriminatory performance of FTIR imaging using both standard (5.5 µm) and high (1.1 µm) magnification for the detection of colorectal cancer and explore the effect of binning to degrade high resolution images to determine whether similar diagnostic information and performance can be obtained using both magnifications. Results indicate that diagnostic performance using high magnification may be reduced as compared to standard magnification when using existing multivariate approaches. Reduction of the high magnification data to standard magnification via binning can potentially recover some of the lost performance.

Detection and classification of salmonella serotypes using spectral signatures collected by fourier transform infrared (FT-IR) spectroscopy

Science.gov (United States)

Spectral signatures of Salmonella serotypes namely Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky were collected using Fourier transform infrared spectroscopy (FT-IR). About 5-10 µL of Salmonella suspensions with concentrations of 1...

XPS and FTIR spectroscopic study on microwave treated high phosphorus iron ore

International Nuclear Information System (INIS)

Omran, Mamdouh; Fabritius, Timo; Elmahdy, Ahmed M.; Abdel-Khalek, Nagui A.; El-Aref, Mortada; Elmanawi, Abd El-Hamid

2015-01-01

Highlights: • The effect of microwave radiation on structure and chemical state of high phosphorus iron ore was studied. • FTIR analyses showed that after microwave radiation the functional chemical groups of phosphorus bearing minerals (fluorapatite) dissociated. • High resolution XPS analyses of Fe 2p peaks showed that after microwave radiation a portion of Fe(+III) was reduced to Fe(+II). • Microwave radiation had a positive effect on the magnetic properties of iron oxide, through formation of ferromagnetic phases. - Abstract: A growing interest in microwave heating has emerged recently. Several potential microwave applications regarding minerals’ processing have been investigated. This paper investigates the effect of microwave radiation on Egyptian high phosphorus iron ore. Three different iron ore samples have varying Fe 2 O 3 and P 2 O 5 contents and mineralogical textures were studied. A comparative study has been carried out between untreated and microwave treated iron ore. XRD and FTIR analyses showed that after microwave radiation the crystallinity of iron bearing minerals (hematite) increased, while the functional chemical groups of phosphorus bearing minerals (fluorapatite) and other gangues dissociated. High resolution XPS analyses of Fe 2p peaks showed that after microwave radiation a portion of Fe(+III) was reduced to Fe(+II). This means that after microwave radiation iron oxide (hematite, Fe 3+ ) transformed into more magnetic phase. The results indicated that microwave radiation had a positive effect on the magnetic properties of iron oxide, through formation of ferromagnetic phases

Effects of Low Carbohydrate High Protein (LCHP) diet on atherosclerotic plaque phenotype in ApoE/LDLR-/- mice: FT-IR and Raman imaging.

Science.gov (United States)

Wrobel, T P; Marzec, K M; Chlopicki, S; Maślak, E; Jasztal, A; Franczyk-Żarów, M; Czyżyńska-Cichoń, I; Moszkowski, T; Kostogrys, R B; Baranska, M

2015-09-22

Low Carbohydrate High Protein (LCHP) diet displays pro-atherogenic effects, however, the exact mechanisms involved are still unclear. Here, with the use of vibrational imaging, such as Fourier transform infrared (FT-IR) and Raman (RS) spectroscopies, we characterize biochemical content of plaques in Brachiocephalic Arteries (BCA) from ApoE/LDLR(-/-) mice fed LCHP diet as compared to control, recomended by American Institute of Nutrition, AIN diet. FT-IR images were taken from 6-10 sections of BCA from each mice and were complemented with RS measurements with higher spatial resolution of chosen areas of plaque sections. In aortic plaques from LCHP fed ApoE/LDLR(-/-) mice, the content of cholesterol and cholesterol esters was increased, while that of proteins was decreased as evidenced by global FT-IR analysis. High resolution imaging by RS identified necrotic core/foam cells, lipids (including cholesterol crystals), calcium mineralization and fibrous cap. The decreased relative thickness of the outer fibrous cap and the presence of buried caps were prominent features of the plaques in ApoE/LDLR(-/-) mice fed LCHP diet. In conclusion, FT-IR and Raman-based imaging provided a complementary insight into the biochemical composition of the plaque suggesting that LCHP diet increased plaque cholesterol and cholesterol esters contents of atherosclerotic plaque, supporting the cholesterol-driven pathogenesis of LCHP-induced atherogenesis.

Characterization of Printing Inks Using DART-Q-TOF-MS and Attenuated Total Reflectance (ATR) FTIR.

Science.gov (United States)

Williamson, Rhett; Raeva, Anna; Almirall, Jose R

2016-05-01

The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or ~ 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in >96% discrimination for all toners, 95% for all inkjets, >92% for all offset, and >54% for all intaglio inks. © 2016 American Academy of Forensic Sciences.

FTIR spectroscopy and X-ray powder diffraction characterization of microcrystalline cellulose obtained from alfa fibers

Directory of Open Access Journals (Sweden)

Trache D.

2013-07-01

Full Text Available Many cereal straws have been used as raw materials for the preparation of microcrystalline cellulose (MCC. These raw materials were gradually replaced with wood products; nevertheless about 10% of the world overall pulp production is obtained from non-wood raw material. The main interest in pulp made from straw is that it provides excellent fibres for different industries with special properties, and that it is the major available source of fibrous raw material in some geographical areas. The aim of the present work was to characterize microcrystalline cellulose prepared from alfa fibers using the hydrolysis process. The products obtained are characterized with FTIR spectroscopy and X-ray powder diffraction. As a result, FTIR spectroscopy is an appropriate technique for studying changes occurred by any chemical treatment. The spectrum of alfa grass stems shows the presence of lignin and hemicelluloses. However, the cellulose spectrum indicates that the extraction of lignin and hemicellulose was effective. The X-ray analysis indicates that the microcrystalline cellulose is more crystalline than the source material.

Characterization of adsorbed water in MIL-53(Al) by FTIR spectroscopy and ab-initio calculations.

Science.gov (United States)

Salazar, J M; Weber, G; Simon, J M; Bezverkhyy, I; Bellat, J P

2015-03-28

Here, we report ab-initio calculations developed with a twofold purpose: understand how adsorbed water molecules alter the infrared spectrum of the metal-organic framework MIL-53(Al) and to investigate which are the associated physico-chemical processes. The analyzed structures are the two anhydrous narrow (np⊘) and large (lp⊘) pore forms and the hydrated narrow pore form (np-H2O) of the MIL-53(Al). For these structures, we determined their corresponding infrared spectra (FTIR) and we identified the vibrational modes associated to the dominant spectral lines. We show that wagging and scissoring modes of CO2 give flexibility to the structure for facilitating the lp⊘- np⊘ transition. In our studies, this transition is identified by eight vibrational modes including the δCH(18a) vibrational mode currently used to identify the mentioned transition. We report an exhaustive band identification of the infrared spectra associated to the analyzed structures. Moreover, the FTIR for the np-H2O structure allowed us to identify four types of water molecules linked to the host structure by one to three hydrogen bonds.

Measurement of tracer gas distributions using an open-path FTIR system coupled with computed tomography

Science.gov (United States)

Drescher, Anushka C.; Yost, Michael G.; Park, Doo Y.; Levine, Steven P.; Gadgil, Ashok J.; Fischer, Marc L.; Nazaroff, William W.

1995-05-01

Optical remote sensing and iterative computed tomography (CT) can be combined to measure the spatial distribution of gaseous pollutant concentrations in a plane. We have conducted chamber experiments to test this combination of techniques using an Open Path Fourier Transform Infrared Spectrometer (OP-FTIR) and a standard algebraic reconstruction technique (ART). ART was found to converge to solutions that showed excellent agreement with the ray integral concentrations measured by the FTIR but were inconsistent with simultaneously gathered point sample concentration measurements. A new CT method was developed based on (a) the superposition of bivariate Gaussians to model the concentration distribution and (b) a simulated annealing minimization routine to find the parameters of the Gaussians that resulted in the best fit to the ray integral concentration data. This new method, named smooth basis function minimization (SBFM) generated reconstructions that agreed well, both qualitatively and quantitatively, with the concentration profiles generated from point sampling. We present one set of illustrative experimental data to compare the performance of ART and SBFM.

FT-Raman and FT-IR studies of 1:2.5 piroxicam: β-cyclodextrin inclusion compound

Science.gov (United States)

Bertoluzza, A.; Rossi, M.; Taddei, P.; Redenti, E.; Zanol, M.; Ventura, P.

1999-05-01

The FT-Raman and FT-IR spectra of amorphous 1:2.5 piroxicam (P): β-cyclodextrin (βCD) inclusion compound (PβCD) are presented and discussed in comparison with the spectra of the three main modifications of piroxicam (α,β and monohydrate). In the 1700-1200 cm -1 FT-Raman spectrum of 1:2.5 PβCD inclusion compound the bands of βCD are weak and covered by those stronger of piroxicam, differently from the FT-IR spectrum where the bands of βCD are stronger, so covering a large part of the spectrum. Typical FT-Raman marker bands are assigned for the characterization of the three modifications of piroxicam. The FT-Raman spectrum of 1:2.5 PβCD inclusion compound predominantly shows the bands at about 1465 and 1400 cm -1 of the monohydrate, indicating that piroxicam assumes the zwitterionic structure stabilized by interaction with βCD via electrostatic and hydrogen bonds. The dipolar character of 1:2.5 PβCD inclusion compound improves the solubility and the dissolution rate of piroxicam and thus its rate of absorption.

A simple model for cell type recognition using 2D-correlation analysis of FTIR images from breast cancer tissue

Science.gov (United States)

Ali, Mohamed H.; Rakib, Fazle; Al-Saad, Khalid; Al-Saady, Rafif; Lyng, Fiona M.; Goormaghtigh, Erik

2018-07-01

Breast cancer is the second most common cancer after lung cancer. So far, in clinical practice, most cancer parameters originating from histopathology rely on the visualization by a pathologist of microscopic structures observed in stained tissue sections, including immunohistochemistry markers. Fourier transform infrared spectroscopy (FTIR) spectroscopy provides a biochemical fingerprint of a biopsy sample and, together with advanced data analysis techniques, can accurately classify cell types. Yet, one of the challenges when dealing with FTIR imaging is the slow recording of the data. One cm2 tissue section requires several hours of image recording. We show in the present paper that 2D covariance analysis singles out only a few wavenumbers where both variance and covariance are large. Simple models could be built using 4 wavenumbers to identify the 4 main cell types present in breast cancer tissue sections. Decision trees provide particularly simple models to reach discrimination between the 4 cell types. The robustness of these simple decision-tree models were challenged with FTIR spectral data obtained using different recording conditions. One test set was recorded by transflection on tissue sections in the presence of paraffin while the training set was obtained on dewaxed tissue sections by transmission. Furthermore, the test set was collected with a different brand of FTIR microscope and a different pixel size. Despite the different recording conditions, separating extracellular matrix (ECM) from carcinoma spectra was 100% successful, underlying the robustness of this univariate model and the utility of covariance analysis for revealing efficient wavenumbers. We suggest that 2D covariance maps using the full spectral range could be most useful to select the interesting wavenumbers and achieve very fast data acquisition on quantum cascade laser infrared imaging microscopes.

Vertical Scan-Conversion for Filling Purposes

OpenAIRE

Hersch, R. D.

1988-01-01

Conventional scan-conversion algorithms were developed independently of filling algorithms. They cause many problems, when used for filling purposes. However, today's raster printers and plotters require extended use of filling, especially for the generation of typographic characters and graphic line art. A new scan-conversion algorithm, called vertical scan-conversion has been specifically designed to meet the requirements of parity scan line fill algorithms. Vertical scan-conversion ensures...

Technical Note: New ground-based FTIR measurements at Ile de La Réunion: observations, error analysis, and comparisons with independent data

Directory of Open Access Journals (Sweden)

C. Senten

2008-07-01

Full Text Available Ground-based high spectral resolution Fourier-transform infrared (FTIR solar absorption spectroscopy is a powerful remote sensing technique to obtain information on the total column abundances and on the vertical distribution of various constituents in the atmosphere. This work presents results from two FTIR measurement campaigns in 2002 and 2004, held at Ile de La Réunion (21° S, 55° E. These campaigns represent the first FTIR observations carried out at a southern (subtropical site. They serve the initiation of regular, long-term FTIR monitoring at this site in the near future. To demonstrate the capabilities of the FTIR measurements at this location for tropospheric and stratospheric monitoring, a detailed report is given on the retrieval strategy, information content and corresponding full error budget evaluation for ozone (O₃, methane (CH₄, nitrous oxide (N₂O, carbon monoxide (CO, ethane (C₂H₆, hydrogen chloride (HCl, hydrogen fluoride (HF and nitric acid (HNO₃ total and partial column retrievals. Moreover, we have made a thorough comparison of the capabilities at sea level altitude (St.-Denis and at 2200 m a.s.l. (Maïdo. It is proved that the performances of the technique are such that the atmospheric variability can be observed, at both locations and in distinct altitude layers. Comparisons with literature and with correlative data from ozone sonde and satellite (i.e., ACE-FTS, HALOE and MOPITT measurements are given to confirm the results. Despite the short time series available at present, we have been able to detect the seasonal variation of CO in the biomass burning season, as well as the impact of particular biomass burning events in Africa and Madagascar on the atmospheric composition above Ile de La Réunion. We also show that differential measurements between St.-Denis and Maïdo provide useful information about the concentrations in the boundary layer.

Scan posture definition and hip girth measurement: the impact on clothing design and body scanning.

Science.gov (United States)

Gill, Simeon; Parker, Christopher J

2017-08-01

Ergonomic measurement is central to product design and development; especially for body worn products and clothing. However, there is a large variation in measurement definitions, complicated by new body scanning technology that captures measurements in a posture different to traditional manual methods. Investigations of hip measurement definitions in current clothing measurement practices supports analysis of the effect of scan posture and hip measurement definition on the circumferences of the hip. Here, the hip girth is a key clothing measurement that is not defined in current body scanning measurement standards. Sixty-four participants were scanned in the standard scan posture of a [TC] 2 body scanner, and also in a natural posture similar to that of traditional manual measurement collection. Results indicate that scan posture affects hip girth circumferences, and that some current clothing measurement practices may not define the largest lower body circumference. Recommendations are made concerning how the hip is defined in measurement practice and within body scanning for clothing product development. Practitioner Summary: The hip girth is an important measurement in garment design, yet its measurement protocol is not currently defined. We demonstrate that body posture during body scanning affects hip circumferences, and that current clothing measurement practices may not define the largest lower body circumference. This paper also provides future measurement practice recommendations.

Solid-state 29Si NMR and FTIR analyses of lignin-silica coprecipitates

DEFF Research Database (Denmark)

Cabrera Orozco, Yohanna; Cabrera, Andrés; Larsen, Flemming Hofmann

2016-01-01

When agricultural residues are processed to ethanol, lignin and silica are some of the main byproducts. Separation of these two products is difficult and the chemical interactions between lignin and silica are not well described. In the present study, the effect of lignin-silica complexing has been...... investigated by characterizing lignin and silica coprecipitates by FTIR and solid state NMR. Silica particles were coprecipitated with three different lignins, three lignin model compounds, and two silanes representing silica-in-lignin model compounds. Comparison of 29Si SP/MAS NMR spectra revealed differences...

Aggregation factor analysis for protein formulation by a systematic approach using FTIR, SEC and design of experiments techniques.

Science.gov (United States)

Feng, Yan Wen; Ooishi, Ayako; Honda, Shinya

2012-01-05

A simple systematic approach using Fourier transform infrared (FTIR) spectroscopy, size exclusion chromatography (SEC) and design of experiments (DOE) techniques was applied to the analysis of aggregation factors for protein formulations in stress and accelerated testings. FTIR and SEC were used to evaluate protein conformational and storage stabilities, respectively. DOE was used to determine the suitable formulation and to analyze both the main effect of single factors and the interaction effect of combined factors on aggregation. Our results indicated that (i) analysis at a low protein concentration is not always applicable to high concentration formulations; (ii) an investigation of interaction effects of combined factors as well as main effects of single factors is effective for improving conformational stability of proteins; (iii) with the exception of pH, the results of stress testing with regard to aggregation factors would be available for suitable formulation instead of performing time-consuming accelerated testing; (iv) a suitable pH condition should not be determined in stress testing but in accelerated testing, because of inconsistent effects of pH on conformational and storage stabilities. In summary, we propose a three-step strategy, using FTIR, SEC and DOE techniques, to effectively analyze the aggregation factors and perform a rapid screening for suitable conditions of protein formulation. Copyright © 2011 Elsevier B.V. All rights reserved.

Thyroid Scan and Uptake

Medline Plus

Full Text Available ... Scan and Uptake Thyroid scan and uptake uses small amounts of radioactive materials called radiotracers, a special ... is a branch of medical imaging that uses small amounts of radioactive material to diagnose and determine ...

Thyroid Scan and Uptake

Medline Plus

Full Text Available ... of page What will I experience during and after the procedure? Most thyroid scan and thyroid uptake ... you otherwise, you may resume your normal activities after your nuclear medicine scan. If any special instructions ...

Analysis of clay smoking pipes from archeological sites in the region of the Guanabara Bay (Rio de Janeiro, Brazil) by FT-IR

Science.gov (United States)

Freitas, Renato P.; Ribeiro, Iohanna M.; Calza, Cristiane; Oliveira, Ana L.; Silva, Mariane L.; Felix, Valter S.; Ferreira, Douglas S.; Coelho, Felipe A.; Gaspar, Maria D.; Pimenta, André R.; Medeiros, Elanio A.; Lopes, Ricardo T.

2016-06-01

In this study, twenty samples of clay smoking pipes excavated in an 18 km2 area between the Macacu and Caceribu rivers, in the municipality of Itaboraí, Rio de Janeiro, Brazil were analyzed by FT-IR technique. The samples, excavated in different archeological sites of the region, are dated between the seventeenth and the nineteenth centuries and are part of the material culture left by Africans and African descendants that lived in the complex. FT-IR analyses and complementary SEM-EDS studies showed that the clay paste used in the manufacture of smoking pipes, mostly handcrafted, is composed of quartz, feldspar, phyllosilicates and iron oxides. Multivariate statistical tests (PCA) were applied to FT-IR data to assess the interactions between the archeological sites. The results indicated that one archeological site - Macacu IV - is greatly related to the other sites. The results obtained have helped archeologists and anthropologists in better understanding the manufacturing process employed in ancient ceramic artifacts produced during the period of colonial Brazil.

Efficient Signature Based Malware Detection on Mobile Devices

Directory of Open Access Journals (Sweden)

Deepak Venugopal

2008-01-01

Full Text Available The threat of malware on mobile devices is gaining attention recently. It is important to provide security solutions to these devices before these threats cause widespread damage. However, mobile devices have severe resource constraints in terms of memory and power. Hence, even though there are well developed techniques for malware detection on the PC domain, it requires considerable effort to adapt these techniques for mobile devices. In this paper, we outline the considerations for malware detection on mobile devices and propose a signature based malware detection method. Specifically, we detail a signature matching algorithm that is well suited for use in mobile device scanning due to its low memory requirements. Additionally, the matching algorithm is shown to have high scanning speed which makes it unobtrusive to users. Our evaluation and comparison study with the well known Clam-AV scanner shows that our solution consumes less than 50% of the memory used by Clam-AV while maintaining a fast scanning rate.

The biocompatibility of carbon hydroxyapatite/β-glucan composite for bone tissue engineering studied with Raman and FTIR spectroscopic imaging.

Science.gov (United States)

Sroka-Bartnicka, Anna; Kimber, James A; Borkowski, Leszek; Pawlowska, Marta; Polkowska, Izabela; Kalisz, Grzegorz; Belcarz, Anna; Jozwiak, Krzysztof; Ginalska, Grazyna; Kazarian, Sergei G

2015-10-01

The spectroscopic approaches of FTIR imaging and Raman mapping were applied to the characterisation of a new carbon hydroxyapatite/β-glucan composite developed for bone tissue engineering. The composite is an artificial bone material with an apatite-forming ability for the bone repair process. Rabbit bone samples were tested with an implanted bioactive material for a period of several months. Using spectroscopic and chemometric methods, we were able to determine the presence of amides and phosphates and the distribution of lipid-rich domains in the bone tissue, providing an assessment of the composite's bioactivity. Samples were also imaged in transmission using an infrared microscope combined with a focal plane array detector. CaF2 lenses were also used on the infrared microscope to improve spectral quality by reducing scattering artefacts, improving chemometric analysis. The presence of collagen and lipids at the bone/composite interface confirmed biocompatibility and demonstrate the suitability of FTIR microscopic imaging with lenses in studying these samples. It confirmed that the composite is a very good background for collagen growth and increases collagen maturity with the time of the bone growth process. The results indicate the bioactive and biocompatible properties of this composite and demonstrate how Raman and FTIR spectroscopic imaging have been used as an effective tool for tissue characterisation.

FTIR microspectroscopy for rapid screening and monitoring of polyunsaturated fatty acid production in commercially valuable marine yeasts and protists.

Science.gov (United States)

Vongsvivut, Jitraporn; Heraud, Philip; Gupta, Adarsha; Puri, Munish; McNaughton, Don; Barrow, Colin J

2013-10-21

The increase in polyunsaturated fatty acid (PUFA) consumption has prompted research into alternative resources other than fish oil. In this study, a new approach based on focal-plane-array Fourier transform infrared (FPA-FTIR) microspectroscopy and multivariate data analysis was developed for the characterisation of some marine microorganisms. Cell and lipid compositions in lipid-rich marine yeasts collected from the Australian coast were characterised in comparison to a commercially available PUFA-producing marine fungoid protist, thraustochytrid. Multivariate classification methods provided good discriminative accuracy evidenced from (i) separation of the yeasts from thraustochytrids and distinct spectral clusters among the yeasts that conformed well to their biological identities, and (ii) correct classification of yeasts from a totally independent set using cross-validation testing. The findings further indicated additional capability of the developed FPA-FTIR methodology, when combined with partial least squares regression (PLSR) analysis, for rapid monitoring of lipid production in one of the yeasts during the growth period, which was achieved at a high accuracy compared to the results obtained from the traditional lipid analysis based on gas chromatography. The developed FTIR-based approach when coupled to programmable withdrawal devices and a cytocentrifugation module would have strong potential as a novel online monitoring technology suited for bioprocessing applications and large-scale production.

Geographic identification of Boletus mushrooms by data fusion of FT-IR and UV spectroscopies combined with multivariate statistical analysis

Science.gov (United States)

Yao, Sen; Li, Tao; Li, JieQing; Liu, HongGao; Wang, YuanZhong

2018-06-01

Boletus griseus and Boletus edulis are two well-known wild-grown edible mushrooms which have high nutrition, delicious flavor and high economic value distributing in Yunnan Province. In this study, a rapid method using Fourier transform infrared (FT-IR) and ultraviolet (UV) spectroscopies coupled with data fusion was established for the discrimination of Boletus mushrooms from seven different geographical origins with pattern recognition method. Initially, the spectra of 332 mushroom samples obtained from the two spectroscopic techniques were analyzed individually and then the classification performance based on data fusion strategy was investigated. Meanwhile, the latent variables (LVs) of FT-IR and UV spectra were extracted by partial least square discriminant analysis (PLS-DA) and two datasets were concatenated into a new matrix for data fusion. Then, the fusion matrix was further analyzed by support vector machine (SVM). Compared with single spectroscopic technique, data fusion strategy can improve the classification performance effectively. In particular, the accuracy of correct classification of SVM model in training and test sets were 99.10% and 100.00%, respectively. The results demonstrated that data fusion of FT-IR and UV spectra can provide higher synergic effect for the discrimination of different geographical origins of Boletus mushrooms, which may be benefit for further authentication and quality assessment of edible mushrooms.

The boundary-scan handbook

CERN Document Server

Parker, Kenneth P

2016-01-01

Aimed at electronics industry professionals, this 4th edition of the Boundary Scan Handbook describes recent changes to the IEEE1149.1 Standard Test Access Port and Boundary-Scan Architecture. This updated edition features new chapters on the possible effects of the changes on the work of the practicing test engineers and the new 1149.8.1 standard. Anyone needing to understand the basics of boundary scan and its practical industrial implementation will need this book. Provides an overview of the recent changes to the 1149.1 standard and the effect of the changes on the work of test engineers;   Explains the new IEEE 1149.8.1 subsidiary standard and applications;   Describes the latest updates on the supplementary IEEE testing standards. In particular, addresses: IEEE Std 1149.1                      Digital Boundary-Scan IEEE Std 1149.4                      Analog Boundary-Scan IEEE Std 1149.6                      Advanced I/O Testing IEEE Std 1149.8.1           �...

Information operator approach applied to the retrieval of vertical distributions of atmospheric constituents from ground-based FTIR measurements

Science.gov (United States)

Senten, Cindy; de Mazière, Martine; Vanhaelewyn, Gauthier; Vigouroux, Corinne; Delmas, Robert

2010-05-01

The retrieval of information about the vertical distribution of an atmospheric absorber from high spectral resolution ground-based Fourier Transform infrared (FTIR) solar absorption spectra is an important issue in remote sensing. A frequently used technique at present is the optimal estimation method. This work introduces the application of an alternative method, namely the information operator approach (Doicu et al., 2007; Hoogen et al., 1999), for extracting the available information from such FTIR measurements. This approach has been implemented within the well-known retrieval code SFIT2, by adapting the optimal estimation method such as to take into account only the significant contributions to the solution. In particular, we demonstrate the feasibility of the method when applied to ground-based FTIR spectra taken at the southern (sub)tropical site Ile de La Réunion (21° S, 55° E) in 2007. A thorough comparison has been made between the retrieval results obtained with the original optimal estimation method and the ones obtained with the information operator approach, regarding profile and column stability, information content and corresponding full error budget evaluation. This has been done for the target species ozone (O3), methane (CH4), nitrous oxide (N2O), and carbon monoxide (CO). It is shown that the information operator approach performs well and is capable of achieving the same accuracy as optimal estimation, with a gain of stability and with the additional advantage of being less sensitive to the choice of a priori information as well as to the actual signal-to-noise ratio. Keywords: ground-based FTIR, solar absorption spectra, greenhouse gases, information operator approach References Doicu, A., Hilgers, S., von Bargen, A., Rozanov, A., Eichmann, K.-U., von Savigny, C., and Burrows, J.P.: Information operator approach and iterative regularization methods for atmospheric remote sensing, J. Quant. Spectrosc. Radiat. Transfer, 103, 340-350, 2007

Intercomparison of two dynamic treatment techniques, ring scan and spot scan, for head and neck tumors with the Piotron

International Nuclear Information System (INIS)

Takai, M.; Blattmann, H.; Pedroni, E.

1988-01-01

An evaluation of the ring scan and the spot scan was made for the pion irradiation of head and neck tumors with the Piotron. For the geometry of the Piotron, with its 60 radially converging beams, two scanning techniques have been developed, ring scan and spot scan. They have different characteristics concerning achievable dose distributions and sensitivity to tissue inhomogenities. The optimized 3-dimensional dose distributions for the treatment with ring scan and spot scan techniques were calculated for two examples of the target volume. The comparison of the dose distributions has shown that the ring scan is better in sparing normal tissues than the spot scan for a simple shape target volume but not for an irregular shape target volume with the present status of the technique. The irradiation time needed for the ring scan is longer, for the present examples three times, than for the spot scan. From the practical view point the spot scan is preferable to the ring scan for the treatment of head and neck tumors with the Piotron

Application of Fourier transform infrared (FT-IR) spectroscopy to the study of the modification of epoxidized sunflower oil by acrylation.

Science.gov (United States)

Irinislimane, Ratiba; Belhaneche-Bensemra, Naima

2012-12-01

Commercial sunflower oil was epoxidized at the laboratory-scale. The epoxidized sunflower oil (ESFO) was modified following the acrylation reaction. Modification was carried out simultaneously using acrylic acid (AA) and triethylamine (TEA). To optimize the reaction conditions, the effects of four temperatures (40, 60, 80, and 100 °C), the ESFO:AA (100:100) ratio, and 0.2% TEA were investigated. The rate of conversion was analyzed with both FT-IR and titration of the oxirane ring. After that, the temperature with the highest conversion was selected and used throughout for all modification reactions. Then, four ratios (100:100, 100:90, 100:80, and 100:75) of ESFO:AA were analyzed at four different concentrations of TEA (0.2, 0.3, 0.4, and 0.5%) to determine the best estimate for both the ESFO:AA ratio and the catalyst concentration. Conversion rate was analyzed using FT-IR spectroscopy by measuring the concentrations of ester, carbonyl, and alcohol groups. Moreover, oxirane-ring concentration was estimated using the titration method (with gentian violet as indicator) and FT-IR spectroscopy (epoxy ring absorptions at 1270 cm(-1) and 877 cm(-1)). Based on conversion yield, the optimum ESFO:AA ratio corresponds to 100:80; the best temperature reaction was at 60 °C, and the best TEA concentration was 0.2%. The critical amounts of reactants needed to reach maximum conversion were established. The final acid value of the acrylated ESFO after washing (pH = 7) was 2.1 mg potassium hydroxide (KOH)·g(-1). All results show that FT-IR spectroscopy is a simple, low-cost, rapid method for investigating the kinetics of a reaction.

Analysis of the corrosion products on galvanized steels by FTIR spectroscopy

International Nuclear Information System (INIS)

Kasperek, J.

1998-01-01

FTIR reflectance spectroscopy has been used for the characterization of products formed by an accelerated wet ageing test on industrial hot-dip galvanized steel. Several aluminium contents are selected. Various products have been detected in this study. The kind and amount vary with the substrate, the type of ageing test used, the relative humidity level and the temperature. The galvanized coatings studied show a mixed zinc-aluminium compound, Zn 6 Al 2 (OH) 16 CO 3 .4H 2O. This phase is observed from the first exposure time on all coatings regardless of the amount of aluminium. Contrary to zinc, no basic aluminium compound has been detected. (orig.)

Using FT-IR Spectroscopy to Elucidate the Structures of Ablative Polymers

Science.gov (United States)

Fan, Wendy

2011-01-01

The composition and structure of an ablative polymer has a multifaceted influence on its thermal, mechanical and ablative properties. Understanding the molecular level information is critical to the optimization of material performance because it helps to establish correlations with the macroscopic properties of the material, the so-called structure-property relationship. Moreover, accurate information of molecular structures is also essential to predict the thermal decomposition pathways as well as to identify decomposition species that are fundamentally important to modeling work. In this presentation, I will describe the use of infrared transmission spectroscopy (FT-IR) as a convenient tool to aid the discovery and development of thermal protection system materials.

Multiple myeloma: radiology or bone scanning

International Nuclear Information System (INIS)

Leonard, R.C.F.; Owen, J.P.; Proctor, S.J.; Hamilton, P.J.

1981-01-01

A comparative study of radionuclide bone scanning and skeletal radiology in patients with multiple myeloma revealed four principal findings: (i) There were no cases of negative bone scans with positive skeletal radiographs. (ii) Lytic bone lesions were seriously underestimated by bone scans. (iii) Bone scans tended to pick up lesions in ribs missed on the skeletal surveys. (iv) Patients with bone pain were more likely to have positive bone scans and skeletal radiographs than asymptomatic patients. (author)

Are environmental scanning units effective?

Science.gov (United States)

Stubbart, C

1982-06-01

Many authorities have urged companies to set up environmental scanning to assist corporate planning. Some advocates have recommended a unit at corporate level. This would give breadth of view and penetration into the future. It would arm decision makers with accurate forecasts. The information would be broad in scope and future directed. It could provide also assumptions for long-range planning. The Fahey and King study produced a model of corporate scanning types. The data showed that environmental information was built into the plan. Though the political environment was important, scanning was inadequate. The best location for scanning was not at corporate level and most firms used irregular methods. The Thomas study concluded that effective environmental scanning was permanent and multi level and that 'best practice' was continuous scanning. In 1978 the sample organizations were revisited. Five of the twelve have not changed their practice. The factors which encouraged a continuous model were the attitudes of academics and business media, demonstrated success of the units, the right kind of personnel. Contrary influences were changes in top management, decentralization moves, resource cuts, defining the environment and its significance, the availability of scanning competent personnel, surprise itself, and the availability of alternatives e.g. external forecasts.

Fourier Transform Infrared Spectroscopy (FT-IR) and Simple Algorithm Analysis for Rapid and Non-Destructive Assessment of Developmental Cotton Fibers.

Science.gov (United States)

Liu, Yongliang; Kim, Hee-Jin

2017-06-22

With cotton fiber growth or maturation, cellulose content in cotton fibers markedly increases. Traditional chemical methods have been developed to determine cellulose content, but it is time-consuming and labor-intensive, mostly owing to the slow hydrolysis process of fiber cellulose components. As one approach, the attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy technique has also been utilized to monitor cotton cellulose formation, by implementing various spectral interpretation strategies of both multivariate principal component analysis (PCA) and 1-, 2- or 3-band/-variable intensity or intensity ratios. The main objective of this study was to compare the correlations between cellulose content determined by chemical analysis and ATR FT-IR spectral indices acquired by the reported procedures, among developmental Texas Marker-1 (TM-1) and immature fiber ( im ) mutant cotton fibers. It was observed that the R value, CI IR , and the integrated intensity of the 895 cm -1 band exhibited strong and linear relationships with cellulose content. The results have demonstrated the suitability and utility of ATR FT-IR spectroscopy, combined with a simple algorithm analysis, in assessing cotton fiber cellulose content, maturity, and crystallinity in a manner which is rapid, routine, and non-destructive.

Bone scans

International Nuclear Information System (INIS)

Hetherington, V.J.

1989-01-01

Oftentimes, in managing podiatric complaints, clinical and conventional radiographic techniques are insufficient in determining a patient's problem. This is especially true in the early stages of bone infection. Bone scanning or imaging can provide additional information in the diagnosis of the disorder. However, bone scans are not specific and must be correlated with clinical, radiographic, and laboratory evaluation. In other words, bone scanning does not provide the diagnosis but is an important bit of information aiding in the process of diagnosis. The more useful radionuclides in skeletal imaging are technetium phosphate complexes and gallium citrate. These compounds are administered intravenously and are detected at specific time intervals postinjection by a rectilinear scanner with minification is used and the entire skeleton can be imaged from head to toe. Minification allows visualization of the entire skeleton in a single image. A gamma camera can concentrate on an isolated area. However, it requires multiple views to complete the whole skeletal image. Recent advances have allowed computer augmentation of the data received from radionucleotide imaging. The purpose of this chapter is to present the current radionuclides clinically useful in podiatric patients

Predicting group of metabolites available in partially purified tomato ...

African Journals Online (AJOL)

HPLC was used to quantify the number of unknown component presents in the fraction. Then, a FT-IR Bruker Tensor 27 System was used during FTIR data acquisition. The collection of FTIR spectra was carried out at 16 scans with resolution of 4 cm-1 using strong apodization in the frequency regions of 4,000 to 650 cm-1.

In-column ATR-FTIR spectroscopy to monitor affinity chromatography purification of monoclonal antibodies

Science.gov (United States)

Boulet-Audet, Maxime; Kazarian, Sergei G.; Byrne, Bernadette

2016-01-01

In recent years many monoclonal antibodies (mAb) have entered the biotherapeutics market, offering new treatments for chronic and life-threatening diseases. Protein A resin captures monoclonal antibody (mAb) effectively, but the binding capacity decays over repeated purification cycles. On an industrial scale, replacing fouled Protein A affinity chromatography resin accounts for a large proportion of the raw material cost. Cleaning-in-place (CIP) procedures were developed to extend Protein A resin lifespan, but chromatograms cannot reliably quantify any remaining contaminants over repeated cycles. To study resin fouling in situ, we coupled affinity chromatography and Fourier transform infrared (FTIR) spectroscopy for the first time, by embedding an attenuated total reflection (ATR) sensor inside a micro-scale column while measuring the UV 280 nm and conductivity. Our approach quantified the in-column protein concentration in the resin bed and determined protein conformation. Our results show that Protein A ligand leached during CIP. We also found that host cell proteins bound to the Protein A resin even more strongly than mAbs and that typical CIP conditions do not remove all fouling contaminants. The insights derived from in-column ATR-FTIR spectroscopic monitoring could contribute to mAb purification quality assurance as well as guide the development of more effective CIP conditions to optimise resin lifespan. PMID:27470880

In-column ATR-FTIR spectroscopy to monitor affinity chromatography purification of monoclonal antibodies

Science.gov (United States)

Boulet-Audet, Maxime; Kazarian, Sergei G.; Byrne, Bernadette

2016-07-01

In recent years many monoclonal antibodies (mAb) have entered the biotherapeutics market, offering new treatments for chronic and life-threatening diseases. Protein A resin captures monoclonal antibody (mAb) effectively, but the binding capacity decays over repeated purification cycles. On an industrial scale, replacing fouled Protein A affinity chromatography resin accounts for a large proportion of the raw material cost. Cleaning-in-place (CIP) procedures were developed to extend Protein A resin lifespan, but chromatograms cannot reliably quantify any remaining contaminants over repeated cycles. To study resin fouling in situ, we coupled affinity chromatography and Fourier transform infrared (FTIR) spectroscopy for the first time, by embedding an attenuated total reflection (ATR) sensor inside a micro-scale column while measuring the UV 280 nm and conductivity. Our approach quantified the in-column protein concentration in the resin bed and determined protein conformation. Our results show that Protein A ligand leached during CIP. We also found that host cell proteins bound to the Protein A resin even more strongly than mAbs and that typical CIP conditions do not remove all fouling contaminants. The insights derived from in-column ATR-FTIR spectroscopic monitoring could contribute to mAb purification quality assurance as well as guide the development of more effective CIP conditions to optimise resin lifespan.

FT-IR, FT-Raman and UV-visible spectra of potassium 3-furoyltrifluoroborate salt

Science.gov (United States)

Iramain, Maximiliano A.; Davies, Lilian; Brandán, Silvia Antonia

2018-04-01

The potassium 3-furoyltrifluoroborate salt has been experimentally characterized by means of FT-IR, FT-Raman and UV-Visible spectroscopies. Here, the predicted FT-IR, FT-Raman and UV-visible spectra by using theoretical B3LYP/6-31G* and 6-311++G** calculations show very good correlations with the corresponding experimental ones. The solvation energies were predicted by using both levels of calculations. The NBO analyses reveal the high stability of the salt by using the B3LYP/6-31G* level of theory while the AIM studies evidence the ionic characteristics of the salt in both media. The strong blue colour observed on the K atom by using the molecular electrostatic potential mapped suggests that this region act as typical electrophilic site. The gap values have revealed that the salt in gas phase is more reactive than in solution, as was reported in the literature while, the F13⋯H6 interaction together with the Ksbnd O bond observed by the studies of their charges could probably modulate the reactivities of this salt in aqueous solution. The force fields were computed with the SQMFF methodology and the Molvib program to perform the complete vibrational analysis. Then, the 39 vibration normal modes classified as 26 A'+ 13 A″ were completely assigned and their force constants are also reported.

Thyroid Scan and Uptake

Medline Plus

Full Text Available Toggle navigation Test/Treatment Patient Type Screening/Wellness Disease/Condition Safety En Español More Info Images/Videos About Us News Physician Resources Professions Site Index A-Z Thyroid Scan and Uptake Thyroid scan and uptake uses ...

FTIR-spectroscopic measurements of beryls of various sources and the geological mineralogical and gemmological characterization of diamonds of the Espinhago-range (Minas Gerais, Brazil)

International Nuclear Information System (INIS)

Banko, A. G.

1997-09-01

In this work international material of beryl was analyzed by FTIR-spectroscopy, electron microprobe, analytical scanning microscopy, moisture evolution analyzer and fluorine sensitive electrode. The FTIR-spectroscopic measurements and the determination of analytical water content reveal a logarithmic correlation between the beryl water content and the intensity of the H 2 O-combination band at 5275 cm -1 , using unpolarized IR-light. In addition, the intensities of the 3990 - 3970 cm -1 ,-, 3234 cm -1 and 3345 cm -1 -bands, measured with polarized IR-light parallel to the c-axis, are linearly correlated to the content of the alkali metals. Probably these bands correspond to fundamental (1st overtone of H 2 O-II/3234 cm -1 - and 3345 cm -1 ) and combination (alkaliO-H...OH 2 -II/ 3990 - 3970 cm -1 ) modes of bending vibrations. Beryl was deuterated at various temperature. No absorption were detected in the region at around 2390 cm -1 , 2470 cm -1 and 2940 cm -1 , which would prove an assignment related to the present of hydrogen. If alkali-hydroxide grouping in beryl-channel-positions is indeuterable, the model of fundamental and combination modes seems to be valid. The band at 3990 - 3970 cm -1 can also be assigned to the combination mode of alkali-oxygen (alkali (6),(12) -O-bonds) vibrations and the normal modes of the H 2 O- II -molecule. The three integral absorption coefficients - α 5267 (H 2 O-II)t α 5275 (H 2 O-I) and α 2358 (CO 2 ) - were used to subdivide the beryls into groups. The Espinhago-Diamond-Province reflects an interesting geologic history from Precambrian placer- to recent alluvial deposits. Mineralogical and gemmological features, in combination with geological aspects reflect the many reworking processes which affected Espinhago diamonds in time and space: the characteristics of diamond populations in their specific geologic environment represent the natural selection, which eliminated stones of low quality during geologic history. (author)

Estimation of water-coal surface interaction during heat treatment of coal by use of FTir and DSC; FTir to DSC wo mochiita sekitan-mizu kan sogo sayo no teiryoteki hyoka

Energy Technology Data Exchange (ETDEWEB)

Miura, K.; Mae, K.; Morozumi, F.; Kusakawa, T. [Kyoto University, Kyoto (Japan)

1997-10-30

The authors have recently presented a method to estimate the strength distribution of hydrogen bondings in coal using FTir and DSC. The method was applied to estimate the strength of coal-water interaction in two different coals and to estimate the enthalpy change deriving from the change in hydrogen bondings during the desorption of water. The estimated enthalpy change was compared with the total enthalpy change estimated by DSC measurement to examine the importance of hydrogen bondings during the desertion of water. 1 ref., 6 figs.

Quantitative assessment of the ion-beam irradiation induced direct damage of nucleic acid bases through FTIR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Huang, Qing, E-mail: huangq@ipp.ac.cn [Key Laboratory of Ion Beam Bio-engineering, Institute of Technical Biology and Agriculture Engineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences (China); University of Science and Technology of China, Hefei 230029, Anhui (China); Su, Xi; Yao, Guohua; Lu, Yilin; Ke, Zhigang; Liu, Jinghua; Wu, Yuejin; Yu, Zengliang [Key Laboratory of Ion Beam Bio-engineering, Institute of Technical Biology and Agriculture Engineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences (China)

2014-07-01

Energetic particles exist ubiquitously in nature, and when they hit DNA molecules in organisms, they may induce critical biological effects such as mutation. It is however still a challenge to measure directly and quantitatively the damage imposed by the energetic ions on target DNA molecules. In this work we attempted to employ Fourier transformation infrared (FTIR) spectroscopy to assess the ion-induced direct damage of four nucleic acid bases, namely, thymine (T), cytosine (C), guanine (G), and adenine (A), which are the building blocks of DNA molecules. The samples were prepared as thin films, irradiated by argon ion-beams at raised ion fluences, and in the meantime measured by FTIR spectroscopy for the damage in a quasi-in-situ manner. It was found that the low-energy ion-beam induced radiosensitivity of the four bases shows the sequence G > T > C > A, wherein the possible mechanism was also discussed.

Scanning laser Doppler vibrometry

DEFF Research Database (Denmark)

Brøns, Marie; Thomsen, Jon Juel

With a Scanning Laser Doppler Vibrometer (SLDV) a vibrating surface is automatically scanned over predefined grid points, and data processed for displaying vibration properties like mode shapes, natural frequencies, damping ratios, and operational deflection shapes. Our SLDV – a PSV-500H from...

Scanning tunnel microscope with large vision field compatible with a scanning electron microscope

International Nuclear Information System (INIS)

Volodin, A.P.; Stepanyan, G.A.; Khajkin, M.S.; Ehdel'man, V.S.

1989-01-01

A scanning tunnel microscope (STM) with the 20μm vision field and 1nm resolution, designed to be compatible with a scanning electron microscope (SEM), is described. The sample scanning area is chosen within the 3x10mm limits with a 0.1-1μm step. The STM needle is moved automatically toward the sample surface from the maximum distance of 10mm until the tunneling current appears. Bimorphous elements of the KP-1 piezocorrector are used in the STM design. The device is installed on a table of SEM object holders

Bone scanning as a routine examination of patients with mammary carcinoma; a critical consideration. [Preoperative scanning

Energy Technology Data Exchange (ETDEWEB)

Heslinga, J M; Pauwels, E K.J.; Zwaveling, A [Rijksuniversiteit Leiden (Netherlands). Academisch Ziekenhuis

1982-06-05

The usefulness of bone scanning as a routine examination was evaluated in 136 female patients with mammary carcinoma of whom 81 were staged as Columbia A and 55 as Columbia B/C. The preoperative bone scanning was positive in only 4 patients (2.9%). Consequently, bone scanning is no longer performed in the authors clinic for the preoperative detection of skeletal metastases. Bone scanning as a routine examination at 6-month intervals does not appear to be useful for the first 4 years of the follow-up, either. Most of the patients with a positive bone scan displayed other signs of skeletal metastases at the same time, such as ostealgia and a raised serum alkaline phosphatase level. Further increase of the frequency of bone scanning during the follow-up period would increase the costs considerably, almost prohibitively, even apart from the question whether such a measure might indeed significantly influence the patient's prognosis. The authors conclude that bone scanning should only be performed on the basis of the anamnesis, physical and laboratory findings, both prior to operation and during the follow-up period.

Bone scanning in severe external otitis

International Nuclear Information System (INIS)

Levin, W.J.; Shary, J.H. III; Nichols, L.T.; Lucente, F.E.

1986-01-01

Technetium99 Methylene Diphosphate bone scanning has been considered an early valuable tool to diagnose necrotizing progressive malignant external otitis. However, to our knowledge, no formal studies have actually compared bone scans of otherwise young, healthy patients with severe external otitis to scans of patients with clinical presentation of malignant external otitis. Twelve patients with only severe external otitis were studied with Technetium99 Diphosphate and were compared to known cases of malignant otitis. All scans were evaluated by two neuroradiologists with no prior knowledge of the clinical status of the patients. Nine of the 12 patients had positive bone scans with many scans resembling those reported with malignant external otitis. Interestingly, there was no consistent correlation between the severity of clinical presentation and the amount of Technetium uptake. These findings suggest that a positive bone scan alone should not be interpreted as indicative of malignant external otitis