Concept of chemical bond polarity as a relative difference of electronegativities of atoms

1994 ◽  
Vol 34 (5) ◽  
pp. 817-819
Author(s):  
V. A. Terentiev
Keyword(s):  
Chemical Bond ◽  
Relative Difference ◽  
Bond Polarity

Density functionals and chemical bond, diatomic molecules

1989 ◽  
Vol 86 ◽  
pp. 853-859 ◽  
Author(s):  
Federico Moscardó ◽  
José Pérez-Jordá ◽  
Emilio San-Fabián
Keyword(s):  
Chemical Bond ◽  
Diatomic Molecules ◽  
Density Functionals

The Chemical Bond Across the Periodic Table: Part 1 – First Row and Simple Metals

2020 ◽  
Author(s):  
Gabriel Freire Sanzovo Fernandes ◽  
Leonardo dos Anjos Cunha ◽  
Francisco Bolivar Correto Machado ◽  
Luiz Ferrão
Keyword(s):  
Physical Chemistry ◽  
Chemical Bond ◽  
Materials Science ◽  
Chemical Elements ◽  
Orbital Theory ◽  
Solid State Physics ◽  
Band Theory ◽  
Van Der Waals Clusters ◽  
Earth Systems ◽  
Chemical Content

<p>Chemical bond plays a central role in the description of the physicochemical properties of molecules and solids and it is essential to several fields in science and engineering, governing the material’s mechanical, electrical, catalytic and optoelectronic properties, among others. Due to this indisputable importance, a proper description of chemical bond is needed, commonly obtained through solving the Schrödinger equation of the system with either molecular orbital theory (molecules) or band theory (solids). However, connecting these seemingly different concepts is not a straightforward task for students and there is a gap in the available textbooks concerning this subject. This work presents a chemical content to be added in the physical chemistry undergraduate courses, in which the framework of molecular orbitals was used to qualitatively explain the standard state of the chemical elements and some properties of the resulting material, such as gas or crystalline solids. Here in Part 1, we were able to show the transition from Van der Waals clusters to metal in alkali and alkaline earth systems. In Part 2 and 3 of this three-part work, the present framework is applied to main group elements and transition metals. The original content discussed here can be adapted and incorporated in undergraduate and graduate physical chemistry and/or materials science textbooks and also serves as a conceptual guide to subsequent disciplines such as quantum chemistry, quantum mechanics and solid-state physics.</p>

Symmetry decomposition of quantum chemical bond orders

2008 ◽  
Vol 870 (1-3) ◽  
pp. 1-9 ◽  
Author(s):  
Olga V. Sizova ◽  
Leonid V. Skripnikov ◽  
Alexander Yu. Sokolov
Keyword(s):  
Chemical Bond ◽  
Quantum Chemical ◽  
Bond Orders

scholarly journals Sertraline concentrations in pregnant women are steady and the drug transfer to their infants is low

2021 ◽  
Author(s):  
E. Heinonen ◽  
M. Blennow ◽  
M. Blomdahl-Wetterholm ◽  
M. Hovstadius ◽  
J. Nasiell ◽  
...  
Keyword(s):  
Cord Blood ◽  
Pregnant Women ◽  
Plasma Concentrations ◽  
Relative Difference ◽  
Interindividual Variation ◽  
Therapeutic Drug ◽  
Cytochrome P450 Enzyme ◽  
Second Trimester ◽  
P450 Enzyme ◽  
Placental Passage

Abstract Purpose Sertraline, a selective serotonin reuptake inhibitor (SSRI), is one of the most commonly used antidepressant during pregnancy. Plasma sertraline concentrations vary markedly between individuals, partly explained by variability in hepatic drug metabolizing cytochrome P450-enzyme activity. Our purpose was to study the variability in the plasma concentrations in pregnant women and the passage to their infants. Method Pregnant women with moderate untreated depression were recruited in 2016–2019 in Stockholm Region and randomized to treatment with sertraline or placebo. All received Internet-based cognitive behavior therapy as non-medical treatment. Sertraline plasma concentrations were measured around pregnancy weeks 21 and 30, at delivery, 1-month postpartum, in cord blood and at 48 h of age in the infant. The clinical course of the infants was followed. Results Nine mothers and 7 infants were included in the analysis. Median dose-adjusted sertraline concentration in second trimester was 0.15(ng/mL) /(mg/day), in third trimester and at delivery 0.19 and 1-month postpartum 0.25, with a 67% relative difference between second trimester and postpartum. The interindividual variation was 10-fold. Median concentrations in the infants were 33% and 25% of their mothers’, measured in cord blood, and infant plasma, respectively. Only mild and transient adverse effects were seen on the infants. Conclusion Placental passage of sertraline to the infant is low. However, the interindividual variation in maternal concentrations during pregnancy is huge, why therapeutic drug monitoring might assist in finding the poor metabolizers at risk for adversity and increase the safety of the treatment. Trial registration The trial was registered at clinicaltrials.gov July 9, 2014 with TRN: NCT02185547.

scholarly journals Monitoring Changes in the Transparency of the Largest Reservoir in Eastern China in the Past Decade, 2013–2020

2021 ◽  
Vol 13 (13) ◽  
pp. 2570
Author(s):  
Teng Li ◽  
Bozhong Zhu ◽  
Fei Cao ◽  
Hao Sun ◽  
Xianqiang He ◽  
...  
Keyword(s):  
Remote Sensing ◽  
Mean Squared Error ◽  
Eastern China ◽  
Water Environment ◽  
Relative Difference ◽  
Boreal Summer ◽  
Support Vector ◽  
Lake Area ◽  
The Past ◽  
Remote Sensing Reflectance

Based on characteristics analysis about remote sensing reflectance, the Secchi Disk Depth (SDD) in the Qiandao Lake was predicted from the Landsat8/OLI data, and its changing rates on a pixel-by-pixel scale were obtained from satellite remote sensing for the first time. Using 114 matchups data pairs during 2013–2019, the SDD satellite algorithms suitable for the Qiandao Lake were obtained through both the linear regression and machine learning (Support Vector Machine) methods, with remote sensing reflectance (Rrs) at different OLI bands and the ratio of Rrs (Band3) to Rrs (Band2) as model input parameters. Compared with field observations, the mean absolute relative difference and root mean squared error of satellite-derived SDD were within 20% and 1.3 m, respectively. Satellite-derived results revealed that SDD in the Qiandao Lake was high in boreal spring and winter, and reached the lowest in boreal summer, with the annual mean value of about 5 m. Spatially, high SDD was mainly concentrated in the southeast lake area (up to 13 m) close to the dam. The edge and runoff area of the lake were less transparent, with an SDD of less than 4 m. In the past decade (2013–2020), 5.32% of Qiandao Lake witnessed significant (p < 0.05) transparency change: 4.42% raised with a rate of about 0.11 m/year and 0.9% varied with a rate of about −0.09 m/year. Besides, the findings presented here suggested that heavy rainfall would have a continuous impact on the Qiandao Lake SDD. Our research could promote the applications of land observation satellites (such as the Landsat series) in water environment monitoring in inland reservoirs.

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