Attempt to set up a semiquantitative theory of mutual effects of atoms in organic compounds Communication 1. Electronic charges of bonds, electronegativities of atoms, and the heats of formation of saturated hydrocarbons

1956 ◽  
Vol 5 (11) ◽  
pp. 1375-1386
Author(s):  
G. V. Bykov
Keyword(s):  
Organic Compounds ◽  
Heats Of Formation ◽  
Saturated Hydrocarbons ◽  
Set Up

scholarly journals A proof of concept study for the differentiation of SARS-CoV-2, hCoV-NL63, and IAV-H1N1 in vitro cultures using ion mobility spectrometry

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
M. Feuerherd ◽  
A.-K. Sippel ◽  
J. Erber ◽  
J. I. Baumbach ◽  
R. M. Schmid ◽  
...  
Keyword(s):  
Organic Compounds ◽  
Ion Mobility ◽  
Point Of Care ◽  
Respiratory Viruses ◽  
Gas Analysis ◽  
In Vitro Cultures ◽  
Proof Of Concept ◽  
Volatile Organic ◽  
Set Up

AbstractRapid, high-throughput diagnostic tests are essential to decelerate the spread of the novel coronavirus disease 2019 (COVID-19) pandemic. While RT-PCR tests performed in centralized laboratories remain the gold standard, rapid point-of-care antigen tests might provide faster results. However, they are associated with markedly reduced sensitivity. Bedside breath gas analysis of volatile organic compounds detected by ion mobility spectrometry (IMS) may enable a quick and sensitive point-of-care testing alternative. In this proof-of-concept study, we investigated whether gas analysis by IMS can discriminate severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) from other respiratory viruses in an experimental set-up. Repeated gas analyses of air samples collected from the headspace of virus-infected in vitro cultures were performed for 5 days. A three-step decision tree using the intensities of four spectrometry peaks correlating to unidentified volatile organic compounds allowed the correct classification of SARS-CoV-2, human coronavirus-NL63, and influenza A virus H1N1 without misassignment when the calculation was performed with data 3 days post infection. The forward selection assignment model allowed the identification of SARS-CoV-2 with high sensitivity and specificity, with only one of 231 measurements (0.43%) being misclassified. Thus, volatile organic compound analysis by IMS allows highly accurate differentiation of SARS-CoV-2 from other respiratory viruses in an experimental set-up, supporting further research and evaluation in clinical studies.

Heats of Formation of Organic Compounds by a Simple Calculation

2010 ◽  
Vol 75 (19) ◽  
pp. 6502-6515 ◽  
Author(s):  
Andreas A. Zavitsas ◽  
Donald W. Rogers ◽  
Nikita Matsunaga
Keyword(s):  
Organic Compounds ◽  
Simple Calculation ◽  
Heats Of Formation

Characteristics of TVOC, Aldehydes and Ketones Emitted from Fiber Hot-Pressing in Manufacturing of MDF made from Poplar and Pine

2013 ◽  
Vol 567 ◽  
pp. 9-13
Author(s):  
Y.L. Wang ◽  
Zhi Gang Lu ◽  
P.P. Zhang ◽  
Han Dong Zhou
Keyword(s):  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Hot Pressing ◽  
Medium Density Fiberboard ◽  
Production Capacity ◽  
Saturated Hydrocarbons ◽  
Volatile Organic ◽  
Aldehydes And Ketones ◽  
Main Components ◽  
Total Volatile Organic Compounds

This study, by means of GC-MS and HPLC, investigated the characteristics of volatile organic compounds (VOCs) released from fiber hot-pressing in a medium density fiberboard (MDF) production line with a production capacity of 80,000 m3/a. The quantity of total volatile organic compounds (TVOC), aldehydes and ketones were calculated. The results showed that the concentration of TVOC reached 1.8940 mg/m3. The main components include terpenes, acrolein and acetone, benzenes series and saturated hydrocarbons. The concentration of the mixture of aldehydes and ketones was 5.1136 mg/m3.

scholarly journals Electrochemical Technologies for Industrial Effluent Treatment

2016 ◽  
pp. 683-711
Author(s):  
Rohit Misra ◽  
Neti Nageswara Rao
Keyword(s):  
Organic Compounds ◽  
Organic Pollutant ◽  
Scale Up ◽  
Industrial Effluent ◽  
Three Dimensional ◽  
Electrochemical Reactor ◽  
Effluent Treatment ◽  
Carbon Particles ◽  
Aqueous Effluent ◽  
Set Up

Electrochemical processes are the most adequate tools in the aqueous effluent treatment. The process will not require chemical addition and indeed electrons are the only reactants added to the process to stimulate the reaction. Anodic oxidation of recalcitrant wastewater in a typical electrochemical set-up is particularly interesting because of its ease of operation and scope for scale-up. Nevertheless, electro oxidation in the three-dimensional carbon bed electrodes is a promising process for electrooxidation of effluents containing non-biodegradable organic compounds. The application of three-dimensional carbon bed electrochemical reactor for the degradation of organic pollutant is demonstrated in this chapter. The role of carbon particles in the three-dimensional electrodes reactor is described in this chapter. It has at least two important functions: 1) adsorption of organic compounds from effluents and 2) act as particle electrode. Various operation and design considerations leading to better understanding of carbon bed electrochemical reactors are discussed.

Electrochemical Technologies for Industrial Effluent Treatment

2015 ◽  
pp. 118-146
Author(s):  
Rohit Misra ◽  
Neti Nageswara Rao
Keyword(s):  
Organic Compounds ◽  
Organic Pollutant ◽  
Scale Up ◽  
Industrial Effluent ◽  
Three Dimensional ◽  
Electrochemical Reactor ◽  
Effluent Treatment ◽  
Carbon Particles ◽  
Aqueous Effluent ◽  
Set Up

Electrochemical processes are the most adequate tools in the aqueous effluent treatment. The process will not require chemical addition and indeed electrons are the only reactants added to the process to stimulate the reaction. Anodic oxidation of recalcitrant wastewater in a typical electrochemical set-up is particularly interesting because of its ease of operation and scope for scale-up. Nevertheless, electro oxidation in the three-dimensional carbon bed electrodes is a promising process for electrooxidation of effluents containing non-biodegradable organic compounds. The application of three-dimensional carbon bed electrochemical reactor for the degradation of organic pollutant is demonstrated in this chapter. The role of carbon particles in the three-dimensional electrodes reactor is described in this chapter. It has at least two important functions: 1) adsorption of organic compounds from effluents and 2) act as particle electrode. Various operation and design considerations leading to better understanding of carbon bed electrochemical reactors are discussed.

Predictions by Correlations

2007 ◽  
Author(s):  
James Wei
Keyword(s):  
Polychlorinated Biphenyls ◽  
Organic Compounds ◽  
Aromatic Compounds ◽  
Hydrogen Atoms ◽  
Saturated Hydrocarbons ◽  
Chlorine Atoms ◽  
Boiling Points

After searching the literature and making predictions based on theory without getting sufficient satisfactory results, the next move would be to make estimates. We need the property y of substances pi from a population P that has not been investigated and reported in the literature. Fortunately, there exists a subset S of P that has been investigated, and we have the values for the property y. For instance, we may want the boiling points of all the hydrocarbons, but we have only the boiling points of the normal paraffins from 1 to 20 carbon atoms. Can we use this piece of information on normal paraffins to estimate the boiling points for the rest of the hydrocarbon population? How much effort would be involved and how accurate would the results be? The number of isomers of paraffin is very large; see table 5.1. We see that the iso-paraffins are not as well investigated as the normal paraffins. We have the boiling points of all three isomers of pentane, but not the 75 isomers of decane. It is inevitable that we have to resort to estimations. When we have obtained a good correlation for normal paraffins, we would naturally want to know if we can extend this to the branched paraffins, and onward to the population of all the saturated hydrocarbons (by including the cyclic paraffins), and onward to the population of all hydrocarbons (by including olefins, acetylenes, and aromatic compounds), and then onward to the population of all organic compounds (by including compounds with heteroatoms, such as O, N, Cl). A correlation that applies accurately to a larger domain is more useful than one that works only for a smaller domain. Another example is polychlorinated biphenyls (PCBs), which have 10 hydrogen atoms that can be substituted by chlorine atoms. There are three types of site: the four α sites near the bridge between the two phenyl fragments, the four β sites farther away from the bridge, and the two γ sites that are the farthest away from the bridge. The number of isomers is shown in table 5.2.

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