Startseite Topological Indices of H-Naphtalenic Nanosheet
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Topological Indices of H-Naphtalenic Nanosheet

  • Nazeran Idrees EMAIL logo , Muhammad Jawwad Saif , Afshan Sadiq , Asia Rauf und Fida Hussain
Veröffentlicht/Copyright: 14. November 2018
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Open Chemistry
Aus der Zeitschrift Open Chemistry Band 16 Heft 1

Abstract

In chemical graph theory, a single numeric number related to a chemical structure is called a topological descriptor or topological index of a graph. In this paper, we compute analytically certain topological indices for H-Naphtalenic nanosheet like Randic index, first Zagreb index, second Zagreb index, geometric arithmetic index, atom bond connectivity index, sum connectivity index and hyper-Zagreb index using edge partition technique. The first multiple Zagreb index and the second multiple Zagreb index of the nanosheet are also discussed in this paper.

Keywords: topological indices; chemical graphs; degree of vertices; nanosheet; drug designing

1 Introduction

A topological index is a numeric quantity associated to molecular graph, which contains information about the physicochemical properties of a compound and also helps in the mathematical modeling of biological reactivity of chemicals. Topological indices remain invariant under isomorphism of graphs. Most of the topological indices depend on the degree of vertices of chemical graph or distance between the vertices. They are being widely used in QSAR/ QSPR studies in chemistry and drug designing. We refer to [1,2] for readers interested in applications of topological indices in structural activity relations and drug modeling.

A graph with edge set E(G) and vertex set V(G) is connected, if there exist an association between any two vertices in G. A chemical graph is a simple graph i.e undirected, without loops and multiple edges, whose vertices represent atoms and edges represent bonds between those atoms of any chemical structure. Edges may be labeled as 1 and 2 to emphasize the single and double bonds between atoms, respectively. Number of vertices attached to a given vertex, say, v is called the degree of v, denoted by dv and Su=Σ(νNu) dvwhere Nu={v∈V(G)|uv∈E(G)} .The first degree based topological index is Randic index χ(G) introduced by Milan Randic[3] in 1975 and is defined as:

(1)χ(G)=∑uv∈E(G)1dudv                                                                                           

The general Randic index was proposed by Bollobás and Erdös[4] in 1998, defined as

(2)Rα(G)=∑uv∈E(G)(dudv)α                                                                                                   

Obviously, Randic index is the particular case of Rα (G when α=−12 .

The first and second Zagreb index was introduced by Gutman and Trinajstić [5] in 1972 more than thirty years ago as

(3)M1(G)=∑u,v∈E(G) [du+dv]                                                                                      
(4)M2(G)=∑u,v∈E(G)  [du×dv]                                                                                         

The widely used atom-bond connectivity (ABC) index is introduced by Estrada et al. [6] and is defined as

(5)ABC(G)=∑uv∈E(G)du+dv−2dudv                                                                           

Sum connectivity index(SCI) was introduced by Zhou and Trinajstić [7] as

(6)SCI(G)=∑uv∈E(G)1du+dv                                                                                           

The Geometric-arithmetic index, GA(G) index of a graph G

was introduced by Vukičević and Furtula [8] given by the formula:

(7)GA(G)=∑uv∈E(G)  dudv2du+dv                                                                                             

Shirdel et al. [9] in 2013 introduced a new degree based Zagreb index named hyper-Zagreb index defined as

(8)HM(G)=∑u,v∈E(G)  [du+dv]2                                                                             

The first and second multiple Zagreb index was introduced by Ghorbani et al. [10] in 2012 as

(9)PM1(G)=∏uv∈E(G)  [du+dv]                                                                                    
(10)PM2(G)=∏uv∈E(G)  [du×dv]                                                                         

In the paper, we computed the degree based topological indices, defined above, for H-Naphtalenic nanotube. Exact formulas for these indices are derived analytically.

2 Methods

The structure of a carbon nanotube is formed by a layer of carbon atoms that are bonded together in a hexagonal mesh. Carbon nanotubes (CNTs) are peri-condensed Benzenoids, which are long thin cylinders of carbon, were discovered in 1991 by Sumio lijima [11]. Nanosheets are two-dimensional lattice of carbon nanotubes whose thickness ranges from 1-100 nm

A H-Naphtalenic Nanosheet is made by alternating hexagons C6, squares C 4 and octagons C8 as shown in figure1. The number of vertices in H-Naphtalenic Nanosheet H[m,n] is 10nm, here m denotes the number of paired hexagons in each alternant row with C 4 cycle and n denotes the number of rows containing C 4.

Figure1 Graph of H-Naphtalenic nanosheet H[m,n].
Figure1

Graph of H-Naphtalenic nanosheet H[m,n].

We can see from definitions of degree based topological indices that the indices depend upon degrees of end vertices of edges. We partition the edges according to the degrees of adjacent vertices. All vertices of H-Naphtalenic nanotube has degrees either 2 or 3. So, we have three different types of edges, we denote the edges whose end vertices have degrees 2,2 by E(2,2). Second types of edges have end vertices of degree 2,3 denoted by E(2,3) and the third type of edges have end vertices of degree 3,3 denoted by E(3,3). Total number of edges of type is 2n+4, number of edges of type E(2,3) are 4(2m+n-2) and number of edges of type E(3,3) are m(15n-14)-4(n-1). This edge partitioning is summarized in the table given below E(2,2).

Ethical approval: The conducted research is not related to either human or animal use.

3 Results and Discussion

Theorem 1: Consider the H-Naphtalenic nanotube H[m,n], then its Randic index is given as:

Rα(H[m,n]={45mn+(86−42)m+(46−8)n−(86−12)for α=125mn+m(24−14636)+n(12−636)+(106−1236)for α=−12

Proof. Using the edge partition in Table1, we compute the general Randic index of H-Naphtalenic nanotube H[m,n] as defined in equation (2):

Table 1

Edge partition of nanosheet H[m,n] based on the degree of end vertices of each edges.

Type of edgesE(2,2)E(2,3)E(3,3)
(du,dv) uvϵE(G)(2,2)(2,3)(3,3)
Number of edge(2n+4)4(2m+n-2)m(15n-14)-4(n-1)

R12H[m,n]=∑uv∈EGdudv=∑uv∈E2,2dudv+∑uv∈E2,3dudv+∑uv∈E3,3dudv

Substituting the values from table1, we get:

R12(H[m,n])=(2n+4)2×2+4(2m+n−2)2×3+(m(15n−14)−4(n                           −1))3×3  

After simplification, we get

R12(H[m,n])=45mn+(86−42)m+(46−8)n−(86−12)

Now we find the general Randic index for α=−12

R−1/2(H[m,n])=∑uv∈E(G)1dudv

This implies that

R−1/2(H[m,n])=(2n+4)12×2+4(2m+n−2)12×3+                        +((15mn−14m)−4(n−1))13×3   

After simplification, we get

R12(H[m,n])=5mn+m(24−14636)+n(12−636)+(106−1236)  .

Theorem 2: Consider the H-Naphtalenic nanotube H[m,n], then its first Zagreb index is equal to

M1(H[m,n])=90mn −44m+4n .

Proof. We compute the first Zagreb index of H[m,n] as defined in equation (3), by using the edge partition based on the degree of end vertices of each edge in above table.

M1H[m,n]=∑uv∈EG[du+dv]=∑uv∈E2,2[du+dv]+∑uv∈E2,3[du+dv]+∑uv∈E2,3[du+dv]

This implies that

M1(H[m,n])=(2n+4)(2+2)+4(2m+n−2)(2+3)+                         +(15mn−14m−4n+4)(3+3)

Simplifying, we get

M1(H[m,n])=90mn−44m+4n.

Theorem 3: Consider the H-Naphtalenic nanotube H[m,n], then its second Zagreb index is equal to:

M2(H[m,n])=135mn−78m−4n+4.

Proof: We compute the second Zagreb index of H-Naphtalenic nanotube H[m,n] by using equation (4):

M2H[m,n]=∑uv∈EG[du+dv]=∑uv∈E2,2[du+dv]+∑uv∈E2,3[du+dv]+∑uv∈E3,3[du+dv]

This implies that

M2(H[m,n])=(2n+4)(2×2)+4(2m+n−2)(2×3)+                         +(15mn−14m−4n+4)(3×3)

After an easy simplification, we get

M2(H[m,n])=135mn−78m−4n+4.

Theorem 4: The ABC index of H-Naphtalenic nanotube H[m,n]is given by

ABC(H[m,n])=10mn+m(22−283)+n(92−83)+(8−623) .

Proof: We compute the Atom Bond Connectivity index ABC of H-Naphtalenic nanotube H[m,n] using equation (5) as

ABCH[m,n]=∑uv∈EGdu+dv−2dudv=∑uv∈E2,2du+dv−2dudv+∑uv∈E2,3du+dv−2dudv+∑uv∈E3,3du+dv−2dudv

Using table 1 we have

ABC(H[m,n])=(2n+4)2+2−22×2+4(2m+n−2)2+3−22×3+                         +(m(15n−14)−4(n−1))3+3−23×3 .

After simplification, we get

ABC(H[m,n])=10mn+m(122−283)+n(92−83)+(8−623)  .

Theorem 5: The sum connectivity index SCI of H-Naphtalenic nanotube H[m,n] is

SCI(H[m,n])=156mn+m(86−14530)+n(30+46−4530)+                                           + (230−86+4530) .

Proof: We compute the sum connectivity index SCI of H-Naphtalenic nanotube H[m,n] using the definition in equation (6),

SCIH[m,n]=∑uv∈EG1du+dv=∑uv∈E2,21du+dv+∑uv∈E2,31du+dv+∑uv∈E3,31du+dv

Using table 1, we get

SCI(H[m,n])=(2n+4)12+2+4(2m+n−2)12+3+                        +((15mn−14m)−4(n−1))13+3 ,

which is simplified to

SCI(H[m,n])=156mn+m(86−14530)+n(30+46−4530)+                                           +(230−86+4530)  .

Theorem 6: Consider the H-Naphtalenic nanotube H[m,n], then its geometric-arithmetic index is given as

GA(H[m,n])=15mn+m(166−705)+n(86−105)+(40−1665) .

Proof: We compute the geometric-arithmetic index of H-Naphtalenic nanotube H[m,n]as follows:

GAH [ m,n ] =∑uv∈EG2dudvdu+dv=∑uv∈E2,22dudvdu+dv+∑uv∈E3,32dudvdu+dv+∑uv∈E3,32dudvdu+dv+

Using the edge partition given in table 1, we get GA(H[m,n])=(2n+4)22×22+2+4(2m+n−2)22×32+3+                         +((15mn−14m)−4(n−1))23×33+3.

After simplification, we get

GA(H[m,n])=15mn+m+(166−705)+n(86−105)+(40−1665)  .

Theorem 7: Consider the H-Naphtalenic nanotube H[m,n], then its hyper-Zagreb index is

HM(H[m,n])=540mn−304m−122n−280.

Proof: Using equation (8), hyper-Zagreb index of H-Naphtalenic nanotube H[m,n] is

HMH[m,n]=∑uv∈EG[du+dv]2=∑uv∈E2,2[du+dv]2+∑uv∈E2,3[du+dv]2+∑uv∈E3,3[du+dv]2

Table 1 implies

HM(H[m,n])=(2n+4)(2+2)2+4(2m+n−2)(2+                 +3)2+(15mn−14m−4n+4)(3+3)2 .

Simplifying, we get

HM(H[m,n])=540mn−304m−122n−280.

Theorem 8: Consider the H-Naphtalenic nanotube H[m,n], then its first multiple Zagreb index is equal to:

PM1(H[m,n])=(4)(2n+4)×(5)4(2m+n−2)×                        ×(6)(15mn−14m−4n+4) .

Proof: Using the definition of first multiple Zagreb index of H-Naphtalenic nanotube H[m,n] from equation (9)

PM1(H[m,n])=∏uv∈E(G)[du+dv]PM1(H[m,n])=∏uv∈E(2,2)[du+dv]×∏uv∈E(2,3)[du+dv]×∏uv∈E(3,3)[du+dv]

This implies that

PM1(H[m,n])=(2+2)(2n+4)×(2+3)4(2m+n−2)×                       ×(3+3)(15mn−14m−4n+4)

After an easy simplification, we get

PM1(H[m,n])=(4)(2n+4)×(5)4(2m+n−2)×            ×(6)(15mn−14m−4n+4) .

Theorem 9: Consider the H-Naphtalenic nanotube H[m,n], then its second multiple Zagreb index is equal to:

PM2(H[m,n])=(4)(2n+4)×(6)4(2m+n−2)×             ×(9)(15mn−14m−4n+4) .              

Proof: We compute the second multiple Zagreb index of H-Naphtalenic nanotube H[m,n] defined in equation (10) as:

PM2(H[m,n])=∏uv∈E(G)[du×dv]

Which can be split as

PM2(H[m,n])=∏uv∈E(2,2)[du×dv]×∏uv∈E(2,3)[du×dv]×                      ×  ∏uv∈E(3,3)[du×dv]

This implies that

PM2(H[m,n])=(2×2)(2n+4)×(2×3)4(2m+n−2)×                             ×(3×3)(15mn−14m−4n+4)

After an easy simplification, we get

PM2(H[m,n])=(4)(2n+4)×(6)4(2m+n−2)×                          ×(9)(15mn−14m−4n+4) .

Topological indices provide a way to quantify the information from chemical graphs. These indices encode numerical form of basic properties of molecules and these can be used in QSAR modeling of the nanotube, as the indices are correlated to physio-chemical properties of the nanotube like boiling point, heat capacity, melting point, chemical reactivity, stability, enthalpy of formation, chirality, molar refraction, and many others.

4 Conclusion

In this paper, we derived analytically the well-known degree depending topological descriptors of H-Naphtalenic nanosheet like Randic index, different variants of Zagreb indices, atom bond connectivity index, Geometric Arithmetic index, sum connectivity index and gave closed formulae for these descriptors. It can help a lot to find a deep insight in the topological structure of nanotubes and can predict their reactivity with other compounds.

Acknowledgement

Authors are highly grateful to reviewers for their valuable comments and suggestions.

  1. Conflict of interest: Authors declare no conflict of interest.

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Received: 2018-05-27
Accepted: 2018-09-06
Published Online: 2018-11-14

© 2018 Nazeran Idrees et al., published by De Gruyter

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

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  52. Effect of Nano Zeolite on the Transformation of Cadmium Speciation and Its Uptake by Tobacco in Cadmium-contaminated Soil
  53. Effects and Mechanisms of Jinniu Capsule on Methamphetamine-Induced Conditioned Place Preference in Rats
  54. Calculating the Degree-based Topological Indices of Dendrimers
  55. Efficient optimization and mineralization of UV absorbers: A comparative investigation with Fenton and UV/H2O2
  56. Metabolites of Tryptophane and Phenylalanine as Markers of Small Bowel Ischemia-Reperfusion Injury
  57. Adsorption and determination of polycyclic aromatic hydrocarbons in water through the aggregation of graphene oxide
  58. The role of NR2C2 in the prolactinomas
  59. Chromium removal from industrial wastewater using Phyllostachys pubescens biomass loaded Cu-S nanospheres
  60. Hydrotalcite Anchored Ruthenium Catalyst for CO2 Hydrogenation Reaction
  61. Preparation of Calcium Fluoride using Phosphogypsum by Orthogonal Experiment
  62. The mechanism of antibacterial activity of corylifolinin against three clinical bacteria from Psoralen corylifolia L
  63. 2-formyl-3,6-bis(hydroxymethyl)phenyl benzoate in Electrochemical Dry Cell
  64. Electro-photocatalytic degradation of amoxicillin using calcium titanate
  65. Effect of Malus halliana Koehne Polysaccharides on Functional Constipation
  66. Structural Properties and Nonlinear Optical Responses of Halogenated Compounds: A DFT Investigation on Molecular Modelling
  67. DMFDMA catalyzed synthesis of 2-((Dimethylamino)methylene)-3,4-dihydro-9-arylacridin-1(2H)-ones and their derivatives: in-vitro antifungal, antibacterial and antioxidant evaluations
  68. Production of Methanol as a Fuel Energy from CO2 Present in Polluted Seawater - A Photocatalytic Outlook
  69. Study of different extraction methods on finger print and fatty acid of raw beef fat using fourier transform infrared and gas chromatography-mass spectrometry
  70. Determination of trace fluoroquinolones in water solutions and in medicinal preparations by conventional and synchronous fluorescence spectrometry
  71. Extraction and determination of flavonoids in Carthamus tinctorius
  72. Therapeutic Application of Zinc and Vanadium Complexes against Diabetes Mellitus a Coronary Disease: A review
  73. Study of calcined eggshell as potential catalyst for biodiesel formation using used cooking oil
  74. Manganese oxalates - structure-based Insights
  75. Topological Indices of H-Naphtalenic Nanosheet
  76. Long-Term Dissolution of Glass Fibers in Water Described by Dissolving Cylinder Zero-Order Kinetic Model: Mass Loss and Radius Reduction
  77. Topological study of the para-line graphs of certain pentacene via topological indices
  78. A brief insight into the prediction of water vapor transmissibility in highly impermeable hybrid nanocomposites based on bromobutyl/epichlorohydrin rubber blends
  79. Comparative sulfite assay by voltammetry using Pt electrodes, photometry and titrimetry: Application to cider, vinegar and sugar analysis
  80. MicroRNA delivery mediated by PEGylated polyethylenimine for prostate cancer therapy
  81. Reversible Fluorescent Turn-on Sensors for Fe3+ based on a Receptor Composed of Tri-oxygen Atoms of Amide Groups in Water
  82. Sonocatalytic degradation of methyl orange in aqueous solution using Fe-doped TiO2 nanoparticles under mechanical agitation
  83. Hydrotalcite Anchored Ruthenium Catalyst for CO2 Hydrogenation Reaction
  84. Production and Analysis of Recycled Ammonium Perrhenate from CMSX-4 superalloys
  85. Topical Issue on Agriculture
  86. New phosphorus biofertilizers from renewable raw materials in the aspect of cadmium and lead contents in soil and plants
  87. Survey of content of cadmium, calcium, chromium, copper, iron, lead, magnesium, manganese, mercury, sodium and zinc in chamomile and green tea leaves by electrothermal or flame atomizer atomic absorption spectrometry
  88. Biogas digestate – benefits and risks for soil fertility and crop quality – an evaluation of grain maize response
  89. A numerical analysis of heat transfer in a cross-current heat exchanger with controlled and newly designed air flows
  90. Freshwater green macroalgae as a biosorbent of Cr(III) ions
  91. The main influencing factors of soil mechanical characteristics of the gravity erosion environment in the dry-hot valley of Jinsha river
  92. Free amino acids in Viola tricolor in relation to different habitat conditions
  93. The influence of filler amount on selected properties of new experimental resin dental composite
  94. Effect of poultry wastewater irrigation on nitrogen, phosphorus and carbon contents in farmland soil
  95. Response of spring wheat to NPK and S fertilization. The content and uptake of macronutrients and the value of ionic ratios
  96. The Effect of Macroalgal Extracts and Near Infrared Radiation on Germination of Soybean Seedlings: Preliminary Research Results
  97. Content of Zn, Cd and Pb in purple moor-grass in soils heavily contaminated with heavy metals around a zinc and lead ore tailing landfill
  98. Topical Issue on Research for Natural Bioactive Products
  99. Synthesis of (±)-3,4-dimethoxybenzyl-4-methyloctanoate as a novel internal standard for capsinoid determination by HPLC-ESI-MS/MS(QTOF)
  100. Repellent activity of monoterpenoid esters with neurotransmitter amino acids against yellow fever mosquito, Aedes aegypti
  101. Effect of Flammulina velutipes (golden needle mushroom, eno-kitake) polysaccharides on constipation
  102. Bioassay-directed fractionation of a blood coagulation factor Xa inhibitor, betulinic acid from Lycopus lucidus
  103. Antifungal and repellent activities of the essential oils from three aromatic herbs from western Himalaya
  104. Chemical composition and microbiological evaluation of essential oil from Hyssopus officinalis L. with white and pink flowers
  105. Bioassay-guided isolation and identification of Aedes aegypti larvicidal and biting deterrent compounds from Veratrum lobelianum
  106. α-Terpineol, a natural monoterpene: A review of its biological properties
  107. Utility of essential oils for development of host-based lures for Xyleborus glabratus (Coleoptera: Curculionidae: Scolytinae), vector of laurel wilt
  108. Phenolic composition and antioxidant potential of different organs of Kazakh Crataegus almaatensis Pojark: A comparison with the European Crataegus oxyacantha L. flowers
  109. Isolation of eudesmane type sesquiterpene ketone from Prangos heyniae H.Duman & M.F.Watson essential oil and mosquitocidal activity of the essential oils
  110. Comparative analysis of the polyphenols profiles and the antioxidant and cytotoxicity properties of various blue honeysuckle varieties
  111. Special Issue on ICCESEN 2017
  112. Modelling world energy security data from multinomial distribution by generalized linear model under different cumulative link functions
  113. Pine Cone and Boron Compounds Effect as Reinforcement on Mechanical and Flammability Properties of Polyester Composites
  114. Artificial Neural Network Modelling for Prediction of SNR Effected by Probe Properties on Ultrasonic Inspection of Austenitic Stainless Steel Weldments
  115. Calculation and 3D analyses of ERR in the band crack front contained in a rectangular plate made of multilayered material
  116. Improvement of fuel properties of biodiesel with bioadditive ethyl levulinate
  117. Properties of AlSi9Cu3 metal matrix micro and nano composites produced via stir casting
  118. Investigation of Antibacterial Properties of Ag Doped TiO2 Nanofibers Prepared by Electrospinning Process
  119. Modeling of Total Phenolic contents in Various Tea samples by Experimental Design Methods
  120. Nickel doping effect on the structural and optical properties of indium sulfide thin films by SILAR
  121. The effect mechanism of Ginnalin A as a homeopathic agent on various cancer cell lines
  122. Excitation functions of proton induced reactions of some radioisotopes used in medicine
  123. Oxide ionic conductivity and microstructures of Pr and Sm co-doped CeO2-based systems
  124. Rapid Synthesis of Metallic Reinforced in Situ Intermetallic Composites in Ti-Al-Nb System via Resistive Sintering
  125. Oxidation Behavior of NiCr/YSZ Thermal Barrier Coatings (TBCs)
  126. Clustering Analysis of Normal Strength Concretes Produced with Different Aggregate Types
  127. Magnetic Nano-Sized Solid Acid Catalyst Bearing Sulfonic Acid Groups for Biodiesel Synthesis
  128. The biological activities of Arabis alpina L. subsp. brevifolia (DC.) Cullen against food pathogens
  129. Humidity properties of Schiff base polymers
  130. Free Vibration Analysis of Fiber Metal Laminated Straight Beam
  131. Comparative study of in vitro antioxidant, acetylcholinesterase and butyrylcholinesterase activity of alfalfa (Medicago sativa L.) collected during different growth stages
  132. Isothermal Oxidation Behavior of Gadolinium Zirconate (Gd2Zr2O7) Thermal Barrier Coatings (TBCs) produced by Electron Beam Physical Vapor Deposition (EB-PVD) technique
  133. Optimization of Adsorption Parameters for Ultra-Fine Calcite Using a Box-Behnken Experimental Design
  134. The Microstructural Investigation of Vermiculite-Infiltrated Electron Beam Physical Vapor Deposition Thermal Barrier Coatings
  135. Modelling Porosity Permeability of Ceramic Tiles using Fuzzy Taguchi Method
  136. Experimental and theoretical study of a novel naphthoquinone Schiff base
  137. Physicochemical properties of heat treated sille stone for ceramic industry
  138. Sand Dune Characterization for Preparing Metallurgical Grade Silicon
  139. Catalytic Applications of Large Pore Sulfonic Acid-Functionalized SBA-15 Mesoporous Silica for Esterification
  140. One-photon Absorption Characterizations, Dipole Polarizabilities and Second Hyperpolarizabilities of Chlorophyll a and Crocin
  141. The Optical and Crystallite Characterization of Bilayer TiO2 Films Coated on Different ITO layers
  142. Topical Issue on Bond Activation
  143. Metal-mediated reactions towards the synthesis of a novel deaminolysed bisurea, dicarbamolyamine
  144. The structure of ortho-(trifluoromethyl)phenol in comparison to its homologues – A combined experimental and theoretical study
  145. Heterogeneous catalysis with encapsulated haem and other synthetic porphyrins: Harnessing the power of porphyrins for oxidation reactions
  146. Recent Advances on Mechanistic Studies on C–H Activation Catalyzed by Base Metals
  147. Reactions of the organoplatinum complex [Pt(cod) (neoSi)Cl] (neoSi = trimethylsilylmethyl) with the non-coordinating anions SbF6– and BPh4–
  148. Erratum
  149. Investigation on Two Compounds of O, O’-dithiophosphate Derivatives as Corrosion Inhibitors for Q235 Steel in Hydrochloric Acid Solution
https://doi.org/10.1515/chem-2018-0131
Schlagwörter für diesen Artikel
topological indices; chemical graphs; degree of vertices; nanosheet; drug designing
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Artikel in diesem Heft

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  2. The effect of CuO modification for a TiO2 nanotube confined CeO2 catalyst on the catalytic combustion of butane
  3. The preparation and antibacterial activity of cellulose/ZnO composite: a review
  4. Linde Type A and nano magnetite/NaA zeolites: cytotoxicity and doxorubicin loading efficiency
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  7. A Simplistic Preliminary Assessment of Ginstling-Brounstein Model for Solid Spherical Particles in the Context of a Diffusion-Controlled Synthesis
  8. M-Polynomials And Topological Indices Of Zigzag And Rhombic Benzenoid Systems
  9. Photochemical Transformation of some 3-benzyloxy-2-(benzo[b]thiophen-2-yl)-4Hchromen-4-ones: A Remote Substituent Effect
  10. Dynamic Changes of Secondary Metabolites and Antioxidant Activity of Ligustrum lucidum During Fruit Growth
  11. Studies on the flammability of polypropylene/ammonium polyphosphate and montmorillonite by using the cone calorimeter test
  12. DSC, FT-IR, NIR, NIR-PCA and NIR-ANOVA for determination of chemical stability of diuretic drugs: impact of excipients
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  17. Synthesis, characterization, in-vitro antimicrobial properties, molecular docking and DFT studies of 3-{(E)-[(4,6-dimethylpyrimidin-2-yl)imino]methyl} naphthalen-2-ol and Heteroleptic Mn(II), Co(II), Ni(II) and Zn(II) complexes
  18. M-Polynomials and Topological Indices of Dominating David Derived Networks
  19. Human Health Risk Assessment of Trace Metals in Surface Water Due to Leachate from the Municipal Dumpsite by Pollution Index: A Case Study from Ndawuse River, Abuja, Nigeria
  20. Analysis of Bowel Diseases from Blood Serum by Autofluorescence and Atomic Force Microscopy Techniques
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  22. Relationships between diatoms and environmental variables in industrial water biotopes of Trzuskawica S.A. (Poland)
  23. Optimum Conversion of Major Ginsenoside Rb1 to Minor Ginsenoside Rg3(S) by Pulsed Electric Field-Assisted Acid Hydrolysis Treatment
  24. Antioxidant, Anti-microbial Properties and Chemical Composition of Cumin Essential Oils Extracted by Three Methods
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  26. Investigation of the sustained-release mechanism of hydroxypropyl methyl cellulose skeleton type Acipimox tablets
  27. Bio-accumulation of Polycyclic Aromatic Hydrocarbons in the Grey Mangrove (Avicennia marina) along Arabian Gulf, Saudi Coast
  28. Dynamic Change of Secondary Metabolites and spectrum-effect relationship of Malus halliana Koehne flowers during blooming
  29. Lipids constituents from Gardenia aqualla Stapf & Hutch
  30. Effect of using microwaves for catalysts preparation on the catalytic acetalization of glycerol with furfural to obtain fuel additives
  31. Effect of Humic Acid on the Degradation of Methylene Blue by Peroxymonosulfate
  32. Serum containing drugs of Gua Lou Xie Bai decoction (GLXB-D) can inhibit TGF-β1-Induced Epithelial to Mesenchymal Transition (EMT) in A549 Cells
  33. Antiulcer Activity of Different Extracts of Anvillea garcinii and Isolation of Two New Secondary Metabolites
  34. Analysis of Metabolites in Cabernet Sauvignon and Shiraz Dry Red Wines from Shanxi by 1H NMR Spectroscopy Combined with Pattern Recognition Analysis
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  37. Validated thin-layer chromatographic method for alternative and simultaneous determination of two anti-gout agents in their fixed dose combinations
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  47. In Vitro Cytotoxic and Antiproliferative Activity of Cydonia oblonga flower petals, leaf and fruit pellet ethanolic extracts. Docking simulation of the active flavonoids on anti-apoptotic protein Bcl-2
  48. Synthesis and Characterization of Pd exchanged MMT Clay for Mizoroki-Heck Reaction
  49. A new selective, and sensitive method for the determination of lixivaptan, a vasopressin 2 (V2)-receptor antagonist, in mouse plasma and its application in a pharmacokinetic study
  50. Anti-EGFL7 antibodies inhibit rat prolactinoma MMQ cells proliferation and PRL secretion
  51. Density functional theory calculations, vibration spectral analysis and molecular docking of the antimicrobial agent 6-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-2-{[2-(morpholin-4-yl)ethyl] sulfanyl}pyrimidin-4(3H)-one
  52. Effect of Nano Zeolite on the Transformation of Cadmium Speciation and Its Uptake by Tobacco in Cadmium-contaminated Soil
  53. Effects and Mechanisms of Jinniu Capsule on Methamphetamine-Induced Conditioned Place Preference in Rats
  54. Calculating the Degree-based Topological Indices of Dendrimers
  55. Efficient optimization and mineralization of UV absorbers: A comparative investigation with Fenton and UV/H2O2
  56. Metabolites of Tryptophane and Phenylalanine as Markers of Small Bowel Ischemia-Reperfusion Injury
  57. Adsorption and determination of polycyclic aromatic hydrocarbons in water through the aggregation of graphene oxide
  58. The role of NR2C2 in the prolactinomas
  59. Chromium removal from industrial wastewater using Phyllostachys pubescens biomass loaded Cu-S nanospheres
  60. Hydrotalcite Anchored Ruthenium Catalyst for CO2 Hydrogenation Reaction
  61. Preparation of Calcium Fluoride using Phosphogypsum by Orthogonal Experiment
  62. The mechanism of antibacterial activity of corylifolinin against three clinical bacteria from Psoralen corylifolia L
  63. 2-formyl-3,6-bis(hydroxymethyl)phenyl benzoate in Electrochemical Dry Cell
  64. Electro-photocatalytic degradation of amoxicillin using calcium titanate
  65. Effect of Malus halliana Koehne Polysaccharides on Functional Constipation
  66. Structural Properties and Nonlinear Optical Responses of Halogenated Compounds: A DFT Investigation on Molecular Modelling
  67. DMFDMA catalyzed synthesis of 2-((Dimethylamino)methylene)-3,4-dihydro-9-arylacridin-1(2H)-ones and their derivatives: in-vitro antifungal, antibacterial and antioxidant evaluations
  68. Production of Methanol as a Fuel Energy from CO2 Present in Polluted Seawater - A Photocatalytic Outlook
  69. Study of different extraction methods on finger print and fatty acid of raw beef fat using fourier transform infrared and gas chromatography-mass spectrometry
  70. Determination of trace fluoroquinolones in water solutions and in medicinal preparations by conventional and synchronous fluorescence spectrometry
  71. Extraction and determination of flavonoids in Carthamus tinctorius
  72. Therapeutic Application of Zinc and Vanadium Complexes against Diabetes Mellitus a Coronary Disease: A review
  73. Study of calcined eggshell as potential catalyst for biodiesel formation using used cooking oil
  74. Manganese oxalates - structure-based Insights
  75. Topological Indices of H-Naphtalenic Nanosheet
  76. Long-Term Dissolution of Glass Fibers in Water Described by Dissolving Cylinder Zero-Order Kinetic Model: Mass Loss and Radius Reduction
  77. Topological study of the para-line graphs of certain pentacene via topological indices
  78. A brief insight into the prediction of water vapor transmissibility in highly impermeable hybrid nanocomposites based on bromobutyl/epichlorohydrin rubber blends
  79. Comparative sulfite assay by voltammetry using Pt electrodes, photometry and titrimetry: Application to cider, vinegar and sugar analysis
  80. MicroRNA delivery mediated by PEGylated polyethylenimine for prostate cancer therapy
  81. Reversible Fluorescent Turn-on Sensors for Fe3+ based on a Receptor Composed of Tri-oxygen Atoms of Amide Groups in Water
  82. Sonocatalytic degradation of methyl orange in aqueous solution using Fe-doped TiO2 nanoparticles under mechanical agitation
  83. Hydrotalcite Anchored Ruthenium Catalyst for CO2 Hydrogenation Reaction
  84. Production and Analysis of Recycled Ammonium Perrhenate from CMSX-4 superalloys
  85. Topical Issue on Agriculture
  86. New phosphorus biofertilizers from renewable raw materials in the aspect of cadmium and lead contents in soil and plants
  87. Survey of content of cadmium, calcium, chromium, copper, iron, lead, magnesium, manganese, mercury, sodium and zinc in chamomile and green tea leaves by electrothermal or flame atomizer atomic absorption spectrometry
  88. Biogas digestate – benefits and risks for soil fertility and crop quality – an evaluation of grain maize response
  89. A numerical analysis of heat transfer in a cross-current heat exchanger with controlled and newly designed air flows
  90. Freshwater green macroalgae as a biosorbent of Cr(III) ions
  91. The main influencing factors of soil mechanical characteristics of the gravity erosion environment in the dry-hot valley of Jinsha river
  92. Free amino acids in Viola tricolor in relation to different habitat conditions
  93. The influence of filler amount on selected properties of new experimental resin dental composite
  94. Effect of poultry wastewater irrigation on nitrogen, phosphorus and carbon contents in farmland soil
  95. Response of spring wheat to NPK and S fertilization. The content and uptake of macronutrients and the value of ionic ratios
  96. The Effect of Macroalgal Extracts and Near Infrared Radiation on Germination of Soybean Seedlings: Preliminary Research Results
  97. Content of Zn, Cd and Pb in purple moor-grass in soils heavily contaminated with heavy metals around a zinc and lead ore tailing landfill
  98. Topical Issue on Research for Natural Bioactive Products
  99. Synthesis of (±)-3,4-dimethoxybenzyl-4-methyloctanoate as a novel internal standard for capsinoid determination by HPLC-ESI-MS/MS(QTOF)
  100. Repellent activity of monoterpenoid esters with neurotransmitter amino acids against yellow fever mosquito, Aedes aegypti
  101. Effect of Flammulina velutipes (golden needle mushroom, eno-kitake) polysaccharides on constipation
  102. Bioassay-directed fractionation of a blood coagulation factor Xa inhibitor, betulinic acid from Lycopus lucidus
  103. Antifungal and repellent activities of the essential oils from three aromatic herbs from western Himalaya
  104. Chemical composition and microbiological evaluation of essential oil from Hyssopus officinalis L. with white and pink flowers
  105. Bioassay-guided isolation and identification of Aedes aegypti larvicidal and biting deterrent compounds from Veratrum lobelianum
  106. α-Terpineol, a natural monoterpene: A review of its biological properties
  107. Utility of essential oils for development of host-based lures for Xyleborus glabratus (Coleoptera: Curculionidae: Scolytinae), vector of laurel wilt
  108. Phenolic composition and antioxidant potential of different organs of Kazakh Crataegus almaatensis Pojark: A comparison with the European Crataegus oxyacantha L. flowers
  109. Isolation of eudesmane type sesquiterpene ketone from Prangos heyniae H.Duman & M.F.Watson essential oil and mosquitocidal activity of the essential oils
  110. Comparative analysis of the polyphenols profiles and the antioxidant and cytotoxicity properties of various blue honeysuckle varieties
  111. Special Issue on ICCESEN 2017
  112. Modelling world energy security data from multinomial distribution by generalized linear model under different cumulative link functions
  113. Pine Cone and Boron Compounds Effect as Reinforcement on Mechanical and Flammability Properties of Polyester Composites
  114. Artificial Neural Network Modelling for Prediction of SNR Effected by Probe Properties on Ultrasonic Inspection of Austenitic Stainless Steel Weldments
  115. Calculation and 3D analyses of ERR in the band crack front contained in a rectangular plate made of multilayered material
  116. Improvement of fuel properties of biodiesel with bioadditive ethyl levulinate
  117. Properties of AlSi9Cu3 metal matrix micro and nano composites produced via stir casting
  118. Investigation of Antibacterial Properties of Ag Doped TiO2 Nanofibers Prepared by Electrospinning Process
  119. Modeling of Total Phenolic contents in Various Tea samples by Experimental Design Methods
  120. Nickel doping effect on the structural and optical properties of indium sulfide thin films by SILAR
  121. The effect mechanism of Ginnalin A as a homeopathic agent on various cancer cell lines
  122. Excitation functions of proton induced reactions of some radioisotopes used in medicine
  123. Oxide ionic conductivity and microstructures of Pr and Sm co-doped CeO2-based systems
  124. Rapid Synthesis of Metallic Reinforced in Situ Intermetallic Composites in Ti-Al-Nb System via Resistive Sintering
  125. Oxidation Behavior of NiCr/YSZ Thermal Barrier Coatings (TBCs)
  126. Clustering Analysis of Normal Strength Concretes Produced with Different Aggregate Types
  127. Magnetic Nano-Sized Solid Acid Catalyst Bearing Sulfonic Acid Groups for Biodiesel Synthesis
  128. The biological activities of Arabis alpina L. subsp. brevifolia (DC.) Cullen against food pathogens
  129. Humidity properties of Schiff base polymers
  130. Free Vibration Analysis of Fiber Metal Laminated Straight Beam
  131. Comparative study of in vitro antioxidant, acetylcholinesterase and butyrylcholinesterase activity of alfalfa (Medicago sativa L.) collected during different growth stages
  132. Isothermal Oxidation Behavior of Gadolinium Zirconate (Gd2Zr2O7) Thermal Barrier Coatings (TBCs) produced by Electron Beam Physical Vapor Deposition (EB-PVD) technique
  133. Optimization of Adsorption Parameters for Ultra-Fine Calcite Using a Box-Behnken Experimental Design
  134. The Microstructural Investigation of Vermiculite-Infiltrated Electron Beam Physical Vapor Deposition Thermal Barrier Coatings
  135. Modelling Porosity Permeability of Ceramic Tiles using Fuzzy Taguchi Method
  136. Experimental and theoretical study of a novel naphthoquinone Schiff base
  137. Physicochemical properties of heat treated sille stone for ceramic industry
  138. Sand Dune Characterization for Preparing Metallurgical Grade Silicon
  139. Catalytic Applications of Large Pore Sulfonic Acid-Functionalized SBA-15 Mesoporous Silica for Esterification
  140. One-photon Absorption Characterizations, Dipole Polarizabilities and Second Hyperpolarizabilities of Chlorophyll a and Crocin
  141. The Optical and Crystallite Characterization of Bilayer TiO2 Films Coated on Different ITO layers
  142. Topical Issue on Bond Activation
  143. Metal-mediated reactions towards the synthesis of a novel deaminolysed bisurea, dicarbamolyamine
  144. The structure of ortho-(trifluoromethyl)phenol in comparison to its homologues – A combined experimental and theoretical study
  145. Heterogeneous catalysis with encapsulated haem and other synthetic porphyrins: Harnessing the power of porphyrins for oxidation reactions
  146. Recent Advances on Mechanistic Studies on C–H Activation Catalyzed by Base Metals
  147. Reactions of the organoplatinum complex [Pt(cod) (neoSi)Cl] (neoSi = trimethylsilylmethyl) with the non-coordinating anions SbF6– and BPh4–
  148. Erratum
  149. Investigation on Two Compounds of O, O’-dithiophosphate Derivatives as Corrosion Inhibitors for Q235 Steel in Hydrochloric Acid Solution
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