Determination of the cationic conformational structure of tetrahydrothiophene by one-photon MATI spectroscopy and Franck–Condon fitting

2020 ◽  
Vol 22 (11) ◽  
pp. 6184-6191 ◽  
Author(s):  
Yu Ran Lee ◽  
Hong Lae Kim ◽  
Chan Ho Kwon

This study affords more accurate information regarding the pseudorotational PES describing the conformational interconversion of THT.

Author(s):  
Niklas Helle ◽  
Tim Raeker ◽  
Jürgen Grotemeyer

3-Fluoropyridine (3-FP) has been investigated by means of two-photon resonance-enhanced multi photon ionization (REMPI), mass-analyzed threshold ionization (MATI) and one-photon vacuum-ultraviolet (VUV) MATI spectroscopy. The aim was the determination of...


2020 ◽  
Vol 22 (36) ◽  
pp. 20858-20866 ◽  
Author(s):  
Yu Ran Lee ◽  
Nayoung Choi ◽  
Chan Ho Kwon

Substitution of a chlorine atom for the H in pyridine alters the HOMO of the molecule, which ultimately affects the cationic structure.


2015 ◽  
Vol 1129 ◽  
pp. 151-158
Author(s):  
Takako Tokura ◽  
Joyce Lim ◽  
Ai Ming Chua ◽  
Wey Liang Lee ◽  
James Wong

Polymers are commonly used in concrete materials. The type and concentration of polymer are important information for stakeholders, because they have a critical impact on the properties of concrete materials. Therefore, reliable and accurate information is highly desirable. To this end, Fourier Transform Infrared Spectroscopy (FTIR) and Thermogravimetric Analysis (TGA) are used to analyze polymer contents in construction materials.FTIR spectroscopy is a suitable technique to identify the polymer type using IR spectrum matching. Additionally, functional group information can be easily obtained from each peak. Attenuated Total Reflection (ATR) method can be used to measure extracted polymers from construction materials to obtain IR spectra, and match against the library database to identify the polymer materials. TGA is one of the common thermal analysis methods. It measures the weight loss or gain of sample due to chemical reactions such as vaporization, decomposition and oxidation as a function of temperature. In this paper, we will discuss development of reliable analytical methods with which mixtures of polymer, fine aggregate and cement with different percentages of polymer content were prepared and evaluated.


2020 ◽  
pp. 3445-3455
Author(s):  
Heba Khudhair Abbas ◽  
Farah Faris ◽  
Sale Sami ◽  
Al Zahraa Fadel

Mathematical integration techniques rely on mathematical relationships such as addition, subtraction, division, and subtraction to merge images with different resolutions to achieve the best effect of the merger. In this study, a simulation is adopted to correct the geometric and radiometric distortion of satellite images based on mathematical integration techniques, including Brovey Transform (BT), Color Normalization Transform (CNT), and Multiplicative Model (MM). Also, interpolation methods, namely the nearest neighborhood, Bi-linear, and Bi-cubic were adapted to the images captured by an optical camera. The evaluation of images resulting from the integration process was performed using several types of measures; the first type depends on the determination of quality in the regions of the edges using a contrast measure as well as the number of edges and threshold. The second type is the global one that is based on the parameters of the image region, including the Mean (µ), Standard Deviation (SD), and Signal to Noise Ratio (SNR). The parameters also included the Amount of Information Added (AIA) to the original image, such as those for the total (AIAt) , edges (AIAe), and homogenous (AIAh) regions. The results showed the efficiency of the integration process in the image fusion with different resolutions in one image integrated resolution. The quality measures used were also capable in evaluating the most efficient techniques and determining the accurate information of the resulting image.


1968 ◽  
Vol 1 (4) ◽  
pp. 154-157
Author(s):  
D. J. Cooke ◽  
A. G. Fenton

Primary cosmic rays passing through the solar system carry with them valuable information about solar and astrophysical phenomena in the form of intensity and spectral variations. In order that this information be efficiently extracted from observations of the directional cosmic-ray flux at the surface of the Earth, it is essential to have accurate information available to enable the relating of the observed secondary cosmic-ray directions of motion and intensity to those outside the range of the disturbing terrestrial influences.


2019 ◽  
Vol 3 (7) ◽  
Author(s):  
Xueyan Fu ◽  
Gregory G Dolnikowski ◽  
William B Patterson ◽  
Bess Dawson-Hughes ◽  
Tong Zheng ◽  
...  

ABSTRACTBackgroundLow serum total 25-hydroxyvitamin D3 [25(OH)D3] concentrations have been associated with cognitive impairment. However, it is unclear if serum 25(OH)D3 concentrations are a valid indicator of the concentrations of vitamin D and its metabolites in human brain.ObjectivesThe aim of this study was to develop and validate a method to quantify vitamin D3, 25(OH)D3, and 1,25-dihydroxyvitamin D3 [1,25(OH)2D3] in human brain.MethodsThe assay developments were performed using porcine brains. Liquid extraction was used in homogenized samples (∼0.1 g each) prior to analysis by LC-MS/MS with electrospray ionization following derivatization with 4-phenyl-1,2,4-triazoline-3,5-dione. This method was then applied to the determination of vitamin D and its metabolites in a whole human brain obtained from the National Development and Research Institutes.ResultsThe method showed good linearity of vitamin D3, 25(OH)D3, and 1,25(OH)2D3 over the physiological range (R2 = 0.9995, 0.9968, and 0.9970, respectively). The lowest detection limit for vitamin D3, 25(OH)D3, and 1,25(OH)2D3 in porcine brain was 25, 50 and 25 pg/g, respectively. The method was successfully applied to the determination of vitamin D3 and its metabolites in the prefrontal cortex, middle frontal cortex, middle temporal cortex, cerebellum, corpus callosum, medulla, and pons of a human brain. All analyzed human brain regions contained 25(OH)D3, with corpus callosum containing 334 pg/g compared with 158 pg/g in cerebellum. 1,25(OH)2D3 was only detected in prefrontal and middle frontal cortices at a very low level. No vitamin D3 was detected in any examined areas of this single human brain.ConclusionsTo the best of our knowledge, this study is the first report of the measurement of concentrations of vitamin D metabolites in human brain. This validated method can be applied to postmortem studies to obtain accurate information about the presence and role of vitamin D and its metabolites in human brain and neurodegenerative diseases.


2018 ◽  
Vol 8 (2) ◽  
pp. 203
Author(s):  
Arfiani Nur Khusna ◽  
Fahmi Ardhi Nugraha

The cooperative is faced with the problem of how to keep the availability of goods in the warehouse sufficient, not experiencing upperstock or understock in the stock inventory system. The Supply Chain Management approach can help overcome the problem of availability of goods by integrating suppliers efficiently. The study aims to produce information about the stock of goods and the number of orders for the next period so that it can make a suitable budget plan. Collecting data is the first step and then designing the pattern of supply chain management flow, supply chain management strategies include the use of pareto ABC classification to give priority to supervision of inventory and determination of purchase points by calculating Economy Order Quantity (EOQ), process flow, implementation and testing. The system produces goods stock information that is able to provide accurate information about the remaining stock of goods in the warehouse along with calculation calculations for the purchase of each item at an economical price and amount, for the determination of product reorder time (Reorder Point), the average product lead time is 2 days, the usage rate per day for rice is 0.34 and the safety stock of rice is 20 sacks so that if the rice has reached the 3 point sack then the cooperative must re-order. The test results using usability test showed that 66.66% of the questions were able to be answered by the respondents and the test results between 65-84% were declared good so that the application was feasible and usable.


1826 ◽  
Vol 10 (1) ◽  
pp. 127-147
Author(s):  
W. Haidinger

The following paper contains the results of a series of inquiries, which lead to the conclusion, that the mineral called Smaragdite by Saussure, does not form a species of its own; but that this name has been given to a compound of certain varieties of two distinct species, Augite and Hornblende, the natural-historical species of paratomous and hemiprismatic Augite-spar.Owing in part to the slight degree of resemblance prevailing among its varieties, the authors who have described them differ so essentially in opinion, that I am obliged to go into various details, both respecting the external appearance of the mineral itself, and of the opinions of mineralogists, in order to afford a correct view of the natural-historical species, to which these varieties belong, since this is the basis upon which every system, and, indeed, all accurate information in natural history, is founded, and the fixed point to which the one and the other must be referred.


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