Topological Aspects of Boron Nanotubes

The degree-based topological indices are used to correlate the physical and chemical properties of a molecule with its chemical structure. Boron nanotubular structures are high-interest materials due to the presence of multicenter bonds and have novel electronic properties. These materials have some important issues in nanodevice applications like mechanical and thermal stability. Therefore, they require theoretical studies on the other properties. In this paper, we present certain degree-based topological indices such as ABC, the fourth ABC, GA, and the fifth GA indices for boron triangular and boron-α nanotubes.

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Topological Indices of Para-line Graphs of V-Phenylenic Nanostructures

Open Mathematics ◽

10.1515/math-2019-0020 ◽

2019 ◽

Vol 17 (1) ◽

pp. 260-266 ◽

Cited By ~ 2

Author(s):

Imran Nadeem ◽

Hani Shaker ◽

Muhammad Hussain ◽

Asim Naseem

Keyword(s):

Chemical Properties ◽

Topological Indices ◽

Structural Chemistry ◽

Line Graphs ◽

Physical And Chemical Properties ◽

Graph Invariants ◽

Molecular Graphs ◽

Physical And Chemical ◽

And Chemical Properties

Abstract The degree-based topological indices are numerical graph invariants which are used to correlate the physical and chemical properties of a molecule with its structure. Para-line graphs are used to represent the structures of molecules in another way and these representations are important in structural chemistry. In this article, we study certain well-known degree-based topological indices for the para-line graphs of V-Phenylenic 2D lattice, V-Phenylenic nanotube and nanotorus by using the symmetries of their molecular graphs.

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On eccentricity-based topological descriptors of water-soluble dendrimers

Zeitschrift für Naturforschung C ◽

10.1515/znc-2018-0123 ◽

2018 ◽

Vol 74 (1-2) ◽

pp. 25-33 ◽

Cited By ~ 11

Author(s):

Zahid Iqbal ◽

Muhammad Ishaq ◽

Adnan Aslam ◽

Wei Gao

Keyword(s):

Molecular Structure ◽

Chemical Properties ◽

Topological Indices ◽

Water Soluble ◽

Connectivity Index ◽

Topological Descriptors ◽

Physical And Chemical Properties ◽

Eccentric Connectivity Index ◽

Physical And Chemical ◽

And Chemical Properties

AbstractPrevious studies show that certain physical and chemical properties of chemical compounds are closely related with their molecular structure. As a theoretical basis, it provides a new way of thinking by analyzing the molecular structure of the compounds to understand their physical and chemical properties. The molecular topological indices are numerical invariants of a molecular graph and are useful to predict their bioactivity. Among these topological indices, the eccentric-connectivity index has a prominent place, because of its high degree of predictability of pharmaceutical properties. In this article, we compute the closed formulae of eccentric-connectivity–based indices and its corresponding polynomial for water-soluble perylenediimides-cored polyglycerol dendrimers. Furthermore, the edge version of eccentric-connectivity index for a new class of dendrimers is determined. The conclusions we obtained in this article illustrate the promising application prospects in the field of bioinformatics and nanomaterial engineering.

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M-Polynomials and Associated Topological Indices of Sodalite Materials

Mathematical Problems in Engineering ◽

10.1155/2021/5924409 ◽

2021 ◽

Vol 2021 ◽

pp. 1-10

Author(s):

Ghazanfar Abbas ◽

Muhammad Ibrahim ◽

Ali Ahmad ◽

Muhammad Azeem ◽

Kashif Elahi

Keyword(s):

Greenhouse Gases ◽

Topological Index ◽

Low Cost ◽

Chemical Properties ◽

Topological Indices ◽

Mathematical Tool ◽

Physical And Chemical Properties ◽

Natural Zeolites ◽

Physical And Chemical ◽

And Chemical Properties

Natural zeolites are commonly described as macromolecular sieves. Zeolite networks are very trendy chemical networks due to their low-cost implementation. Sodalite network is one of the most studied types of zeolite networks. It helps in the removal of greenhouse gases. To study this rich network, we use an authentic mathematical tool known as M-polynomials of the topological index and show some physical and chemical properties in numerical form, and to understand the structure deeply, we compare different legitimate M-polynomials of topological indices, concluding in the form of graphical comparisons.

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Analysis of oxidation degree of graphite oxide and chemical structure of corresponding reduced graphite oxide by selecting different-sized original graphite

RSC Advances ◽

10.1039/c8ra01486h ◽

2018 ◽

Vol 8 (31) ◽

pp. 17209-17217 ◽

Cited By ~ 24

Author(s):

Lu Shen ◽

Lihua Zhang ◽

Kui Wang ◽

Lijing Miao ◽

Qiaofeng Lan ◽

...

Keyword(s):

Graphite Oxide ◽

Chemical Structure ◽

Chemical Properties ◽

Thermal Reduction ◽

Physical And Chemical Properties ◽

Oxidation Degree ◽

Reduced Graphite Oxide ◽

Physical And Chemical ◽

And Chemical Properties

The thermal reduction of GO is the most commonly used strategy for preparation of rGO, and the oxidation degree of GO would influence the chemical structure of prepared rGO, thereby affecting its physical and chemical properties.

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Predicting biological effect as a function of the chemical structure and the primary physical and chemical properties of organic compounds.

Environmental Health Perspectives ◽

10.1289/ehp.761327 ◽

1976 ◽

Vol 13 ◽

pp. 27-30 ◽

Cited By ~ 1

Author(s):

N G Andreyeshcheva

Keyword(s):

Organic Compounds ◽

Biological Effect ◽

Chemical Structure ◽

Chemical Properties ◽

Physical And Chemical Properties ◽

Physical And Chemical ◽

And Chemical Properties

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Synthese und Eigenschaften von Alkyloxi-und Aryloxi-substituierten Trithiadiborolanen / Synthesis and Properties of Alkoxi and Aryloxi Substituted Trithiadiborolanes

Zeitschrift für Naturforschung B ◽

10.1515/znb-1981-1117 ◽

1981 ◽

Vol 36 (11) ◽

pp. 1444-1450 ◽

Cited By ~ 10

Author(s):

Max Schmidt ◽

Erich Sametschek

Keyword(s):

Thermal Stability ◽

Nmr Spectra ◽

Chemical Properties ◽

Physical And Chemical Properties ◽

H Nmr ◽

New Compounds ◽

Physical And Chemical ◽

Thermal Stability Of ◽

And Chemical Properties

Abstract The first examples of the hitherto unknown 1,2,4-Trithia-3,5-diborolanes with B-O-C-bonds have been synthesized and characterised. The diiodo substituted ring (2) reacts with 2,6-dimethylphenol, to form 3,5-bis-(2,6-dimethylphenyloxi)-1,2,4-trithia-3,5-di-borolane (3) and HI. 3,5-Diethoxi-1,2,4-trithia-3,5-diborolane, 5, and C2H5I are formed via the cleavage of diethylether by 2. From 2 and diisopropylether, the corresponding 3,5-diisopropyloxi-1,2,4-trithia-3,5-diborolane (6) is formed. The unsymmetrical ethers methyl-t-butylether and methylphenylether undergo reactions with 2 resulting in the formation of 3,5-dimethyloxi-1,2,4-trithia-3,5-diborolane (8) (besides t-C4H9I) and 3,5-diphenyloxi-1,2,4-trithia-3,5-diborolane (10) (besides CH3I). The thermal stability of the new compounds is increasing with increasing size of R in the -OR group and from aliphatic to aromatic R in this group. IR, Raman, 1H NMR and 11B NMR spectra of the compounds are reported as well as some physical and chemical properties.

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On a new compound of chlorine and carbon

Abstracts of the Papers Printed in the Philosophical Transactions of the Royal Society of London ◽

10.1098/rspl.1815.0163 ◽

1833 ◽

Vol 2 ◽

pp. 153-153

Keyword(s):

Carbonic Acid ◽

Chemical Properties ◽

Glass Tube ◽

The Other ◽

Physical And Chemical Properties ◽

Rock Crystal ◽

Acid Gas ◽

Green Glass ◽

Physical And Chemical ◽

And Chemical Properties

The above substance was discovered by M. Julien, of Abo, in Finland, amongst the products arising out of the distillation of calcined sulphate of iron, with crude nitre in iron retorts. It forms white acicular crystals by sublimation, and when passed through a green glass tube containing red-hot rock crystal, it is decomposed with the deposition of charcoal and evolution of chlorine. It is not altered by repeated sublimations in chlorine. It was analysed by passing its vapour over red-hot oxide of copper, by which chloride of copper and carbonic acid gas were produced: the former was decomposed by nitrate of silver, and the proportion of chlorine estimated by that of chloride of silver formed. From this and other experiments, the authors conclude that this substance consists of one portion of chlorine and two of carbon: they failed in their endeavours to convert it into either of the other chlorides of carbon, to which, in its physical and chemical properties, it bears however a considerable resemblance.

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THEORETICAL STUDIES CONCERNING RESIDUAL SOIL POLLUTION BY HEAVY METALS

Journal of Engineering Studies and Research ◽

10.29081/jesr.v19i2.129 ◽

2016 ◽

Vol 19 (2) ◽

Author(s):

CRISTIAN RADU ◽

VALENTIN NEDEFF ◽

ALEXANDRA-DANA CHIŢIMUŞ

Keyword(s):

Heavy Metals ◽

Soil Pollution ◽

Chemical Properties ◽

Contaminated Site ◽

Residual Soil ◽

Theoretical Studies ◽

Physical And Chemical Properties ◽

Physical And Chemical ◽

And Chemical Properties

<p>The paper describes a series of theoretical aspects concerning residual soil pollution by heavy metals. Heavy metals, unlike organic and radionuclide pollutants, are considered to be the most persistent/resistant polluting substances in the soil, displaying a tendency for accumulation. The behavior of heavy metals in the soil depends on the physical and chemical properties of the soil, as well as on their origin and source. Knowledge of the properties of heavy metals is very important, having in view the necessity of applying isolation measures for a contaminated site.</p>

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The absorption spectra of the vapours of benzene and its homologues at different temperatures and pressures, and likewise of solutions of benzene

Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character ◽

10.1098/rspa.1908.0011 ◽

1908 ◽

Vol 80 (537) ◽

pp. 162-165 ◽

Cited By ~ 2

Keyword(s):

Absorption Spectra ◽

Chemical Structure ◽

Constant Pressure ◽

Chemical Properties ◽

Complete Agreement ◽

Physical And Chemical Properties ◽

Different Temperatures ◽

Temperature And Pressure ◽

Physical And Chemical ◽

And Chemical Properties

The author having been engaged since the year 1877 in investigating and correlating the physical and chemical properties of aromatic substances in relation to their chemical structure or constitution, he has latterly found it desirable that several very definite compounds should be examined in a state of vapour, as well as in solution. The work of E. Pauer, W. Friederichs, and of L. Grebe is referred to in detail. The vapours of benzene and several of its derivatives have been examined (1) at different temperatures and constant pressure; and (2) at different pressures, the temperature being constant. The previous measurements of Pauer, Friederichs, and Grebe have been confirmed, and reconciled where they do not show complete agreement with each other. The records of temperature and pressure, and the shortening of the exposure of the photographic plates, constitute important differences between the work of the former investigators and that of the author.

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Synthesis and structural features of 5-(4-(tert-butyl) phenyl)-4-((R)amino)-4H-1,2,4-triazole-3-thiols

Farmatsevtychnyi zhurnal ◽

10.32352/0367-3057.6.16.03 ◽

2018 ◽

pp. 60-65

Author(s):

I. I. Aksyonova-Seliuk ◽

O. I. Panasenko ◽

E. G. Knysh

Keyword(s):

Chemical Structure ◽

Chemical Properties ◽

Biologically Active ◽

Physical And Chemical Properties ◽

Tert Butyl ◽

New Compounds ◽

Physical And Chemical ◽

Derivatives Of ◽

Active Substances ◽

And Chemical Properties

Chemistry of heterocyclic compounds is one of the most popular sector in organic chemistry. Scientists allocate among them a class of derivatives of 1,2,4-triazole. This class of compounds attracts attention his broad spectrum of biological activity. There are antiviral, anti-inflammatory, anti-tubercular, antimicrobial, antioxidant, actoprotective, anti-cancer and other activities. The derivatives of 1,2,4-triazole have one more important advantage. It is low toxicity. This properties do this class of derivatives promising for researches their chemical structure and biological activity and purposeful search of biologically active substances. The purpose of the work is synthesis of 5-(4-(tert-butyl)phenyl)-4-((R)amino)-4H-1,2,4-triazoles-3-thiols from appropriate ylidene derivatives of 4-amino-5-(4 (tert-butyl)phenyl)-4H-1,2,4-triazoles-3-thiol and research of their physical and chemical properties. The objects of research were 10 new compounds, derivatives of 4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazoles-3-thiol. These compounds are the crystal substances which are odorless, insoluble in water and soluble in organic solvents. Investigation of the physical and chemical properties of this compounds was carried out according to the methods listed in the State Pharmacopoeia of Ukraine. The melting temperature of synthesized compounds was determined by device OptiMelt Stanford Research Systems MPA100. The structure of the compound was confirmed by 1H-NMR spectroscopy (Mercury 400) and gas chromatography-mass spectrometry (Agilent 1260 Infinity HPLC). 10 new compounds, derivatives of 4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazoles-3-thiol, were synthesized in a study. The chemical structure of the new compounds was confirmed by modern instrumental methods of analysis. Results of the done work can be use in the future search of biologically active substances.

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