Determination of the Concentrations of CF2 and CF3 Radicals in an Argon Matrix: An Illustration Using Predicted Infrared Intensities

1978 ◽  
Vol 32 (3) ◽  
pp. 290-292 ◽  
Author(s):  
James H. Newton ◽  
Willis B. Person

A novel procedure is described for the determination of concentrations of CF2 and CF3 radicals from the infrared spectrum using predicted values for the absolute integrated molar absorption coefficients. The predictions were made using an F-atom polar tensor transferred from CH3F according to procedures described earlier. These predicted intensities are used to calculate a simulated spectrum, adjusting the values assumed for the concentrations of CF4, CF3, and CF2 until agreement is obtained with the experimental spectrum obtained by Milligan and Jacox from a sample of CF2N2 photolyzed in an argon matrix in the presence of an added F-atom source. This procedure illustrates an analytical application of predicted infrared intensities that may also be important for other unstable species.

1962 ◽  
Vol 41 (2) ◽  
pp. 234-246 ◽  
Author(s):  
H. J. van der Molen

ABSTRACT A procedure for the quantitative determination of 5β-pregnan-3α-ol-20-one in urine is described. After acid hydrolysis of the pregnanolone-conjugates in urine, the free steroids are extracted with toluene. Pregnanolone is isolated in a pure form as its acetate; after chromatographic separation of the free steroids on alumina, the fraction containing pregnanolone is acetylated and rechromatographed on alumina. Quantitative determination of the isolated pregnanolone-acetate is carried out with the aid of the infrared spectrum recorded by a micro KBr-wafermethod. The reliability of the method under various conditions is discussed under the headings, specificity, accuracy, precision and sensitivity. It is possible to determine 30–40 μg pregnanolone in a 24-hours urine portion with a precision of 25%.


1989 ◽  
Vol 43 (1) ◽  
pp. 148-153 ◽  
Author(s):  
Dane Bićanić ◽  
Siegfried Krüger ◽  
Paul Torfs ◽  
Bruno Bein ◽  
Frans Harren

An experimental setup for performance of reverse mirage spectroscopy at CO2 laser wavelengths on liquid samples having high values of absorption coefficients is described. One and the same liquid is used as both the absorbing and deflecting medium. The Rosencwaig-Gersho theory has been applied, and the choice of experimental conditions that would enable determination of absorption coefficient β from the magnitude of photothermal signals measured at two different probe beam distances (probing locations) is discussed. The usefulness of this technique (essentially not inhibited by the requirements imposed on the sample's thickness) is tested on methanol having absorption coefficients β close to 300 cm−1 in the wavelength region covered by CO2 laser emission.


1968 ◽  
Vol 49 (12) ◽  
pp. 5438-5444 ◽  
Author(s):  
M. P. Marzocchi ◽  
P. Manzelli ◽  
V. Schettino ◽  
S. Califano

2011 ◽  
Vol 236-238 ◽  
pp. 2505-2509
Author(s):  
Xin Yi He ◽  
Jin Fu Liu ◽  
Li Li Cheng ◽  
Bu Jiang Wang

Drying characteristics of crispy winter jujube dried by explosion puffing drying at different vacuum drying temperature were investigated. Selection of the best model was examined by comparing the determination of coefficient (R2), root means square error (RMSE), and mean relative percentage error (P) between the experimental and predicted values. As expected, higher drying rates were obtained with higher vacuum drying temperature. The results showed that the Modified Henderson and Pabis model provided better simulation of drying curves for crispy winter jujube according to thin-layer drying theory. The effective moisture diffusivity of crispy winter jujube dried by explosion puffing drying with higher vacuum drying temperature was higher than the others.


1991 ◽  
Vol 74 (2) ◽  
pp. 317-323 ◽  
Author(s):  
Mark E Oppenhuizen ◽  
John E Cowell

Abstract A new method for determination of glyphosate and amlnomethylphosphonlc acid (AMPA) residues In environmental water was collaboratively studied by 6 laboratories. The method Is simpler and shorter than previous methods. A filtered volume of water is evaporated to dryness and the residue Is dissolved In a buffered EDTA solution. Glyphosate and AMPA are determined by liquid chromatography with postcolumn reaction detection. The method was validated over the range 0.50-5000 ppb, although one of the collaborating laboratories could not reliably quantltate below 1.0 ppb. Statistical analysis of the results showed that typical reproducibility relative standard deviations (RSDR) ranged from 11 to 20% for both glyphosate and AMPA, which compares very well with predicted values for this concentration range. Total variability (as measured by sR) Increased with increasing fortification level. The method has been adopted official first action by AOAC.


2002 ◽  
Vol 48 (3) ◽  
pp. 499-506 ◽  
Author(s):  
Kan-Zhi Liu ◽  
R Anthony Shaw ◽  
Angela Man ◽  
Thomas C Dembinski ◽  
Henry H Mantsch

Abstract Background: The purpose of this study was to assess the feasibility of infrared (IR) spectroscopy for the simultaneous quantification of serum LDL-cholesterol (LDL-C) and HDL-cholesterol (HDL-C) concentrations. Methods: Serum samples (n = 90) were obtained. Duplicate aliquots (5 μL) of the serum specimens were dried onto IR-transparent barium fluoride substrates, and transmission IR spectra were measured for the dry films. In parallel, the HDL-C and LDL-C concentrations were determined separately for each specimen by standard methods (the Friedewald formula for LDL-C and an automated homogeneous HDL-C assay). The proposed IR method was then developed with a partial least-squares (PLS) regression analysis to quantitatively correlate IR spectral features with the clinical analytical results for 60 randomly chosen specimens. The resulting quantification methods were then validated with the remaining 30 specimens. The PLS model for LDL-C used two spectral ranges (1700–1800 and 2800–3000 cm−1) and eight PLS factors, whereas the PLS model for HDL-C used three spectral ranges (800–1500, 1700–1800, and 2800–3500 cm−1) with six factors. Results: For the 60 specimens used to train the IR-based method, the SE between IR-predicted values and the clinical laboratory assays was 0.22 mmol/L for LDL-C and 0.15 mmol/L for HDL-C (r = 0.98 for LDL-C; r = 0.91 for HDL-C). The corresponding SEs for the test spectra were 0.34 mmol/L (r = 0.96) and 0.26 mmol/L (r = 0.82) for LDL-C and HDL-C, respectively. The precision for the IR-based assays was estimated by the SD of duplicate measurements to be 0.11 mmol/L (LDL-C) and 0.09 mmol/L (HDL-C). Conclusions: IR spectroscopy has the potential to become the clinical method of choice for quick and simultaneous determinations of LDL-C and HDL-C.


2019 ◽  
Vol 97 (12) ◽  
pp. 4732-4736
Author(s):  
Victória R Merenda ◽  
Odinei Marques ◽  
Emily K Miller-Cushon ◽  
Nicolas Dilorenzo ◽  
Jimena Laporta ◽  
...  

Abstract The objectives of the 2 studies conducted were to validate the accuracy of an automated monitoring device (AMD; HR-LDn tags, SCR Engineers Ltd., Netanya, Israel) for different types of behaviors or cow-states (side lying, resting, medium activity, high activity, rumination, grazing, walking, and panting) in beef heifers and to determine if the total time per cow-state recorded by the AMD corresponds to the total time per cow-state recorded by instantaneous observations. Cow-state is recorded every second and, within 1 min, the most prevalent cow-state is considered to be the behavior presented by the animal during that interval. Study personnel (n = 2) observed heifers (n = 10) for 20 min from 0800 to 1140 h and 10 min from 1500 to 1640 h during 4 consecutive days and recorded continuously each cow-state at started and ended. Thus, study personnel were able to determine within a 1-min interval, which cow-state was most prevalent and represented the heifer’s behavior. Because the proprietary machine learning algorithm prioritizes certain behaviors over others based on their contribution to the understanding of generalized bovine behavior patterns, we also determined the most prevalent behavior observed in 5-min intervals. Test characteristics (sensitivity, specificity, accuracy, and negative and positive predicted values) were calculated using the observer as the gold standard. In study 2, heifer behavior was scanned by observers (n = 2) every 5 min from 0800 to 1100 h and 1500 to 1800 h for 3 consecutive days. Total minutes per cow-state according to the observer were compared with the total minutes per cow-state according to the AMD during the same period to determine the correlation coefficient. In study 1, test characteristics were high (low ≤ 40%, moderate = 41 to 74%, high ≥ 75%) for rumination (≥ 89.7%), grazing (≥ 76.5%), and side lying (≥ 81.8%), and moderate for resting (≥ 48.8%). In study 2, the correlation coefficient for rumination (R2 = 0.92) and grazing (R2 = 0.90) were high and the correlation coefficient for resting (R2 = 0.66) and walking (R2 = 0.33) were moderate. We conclude that the AMD used in this study showed high accuracy when measuring rumination and grazing, but it was subpar when measuring resting and walking. The algorithms employed by the AMD used need to be improved for determination of walking and resting behaviors of beef cattle.


1970 ◽  
Vol 53 (5) ◽  
pp. 2034-2040 ◽  
Author(s):  
Dolphus E. Milligan ◽  
Marilyn E. Jacox

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