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Molecular Properties of Carbon Crystal Cubic Structures

  • Hong Yang , Muhammad Kamran Siddiqui , Muhammad Naeem EMAIL logo and Najma Abdul Rehman
Published/Copyright: May 27, 2020
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Open Chemistry
From the journal Open Chemistry Volume 18 Issue 1

Abstract

Graph theory assumes an imperative part in displaying and planning any synthetic structure or substance organizer. Chemical graph theory facilitates in conception of the chemical graphs for their atomic properties. The graphical structure of a chemical involves atoms termed as vertices and the line segment between two different vertices are called edges. In this manuscript, our concentration is on the chemical graph of carbon graphite and cubic carbon. Additionally, we also define a procedure and calculate the degree based topological indices namely Zagreb type indices, Balaban, Forgotten and Augmented indices.

Keywords: Balaban; Forgotten and Augmented index; Re-defined Zagreb index; Carbon Graphite; Crystal Cubic

1 Introduction

Graph theory is capable of forming and creating various chemical structures and networks. Chemical graph theory uses the theory of graphs in modelling chemical phenomena; this theory is very useful for the analysis of chemical structures. The examinations of structures of molecules and data are made possible by using chemical descriptors. A large number of topological descriptors are examined and utilized in theoretical chemistry [1, 2, 3].

A topological descriptor is a numerical value which demonstrates some valuable data related to chemical structures. It is a numerical invariant of chemical graphs and is valuable to connect with the bioactivities and physicochemical properties of the structure. Scientists observed that these indices were an effective and valuable instrument in the portrayal of chemical graph. A few applications identified with topological descriptors of chemical graphs can be found in [4, 5, 6].

The analysts have used chemical graphs to describe the topological uses of carbons in a nano cones, in chains of extremal pentagons, tree like poly phenylene, spiro hexagonal frame-works, poly-phenylene dendrimers nano stars, and palomino’s chain [7, 8, 9].

A large number of allotropes of carbon have been discovered such as nanotubes, buckminsterfullerenes and nanosheets. The uses of several allotropes of carbons are studied in [10, 11, 12].

The notion of topological index originated with the work of Wiener [13], whilst he discussed boiling points of paraffins. Soon after, this numeric quantity was retitled as Wiener index. The Wiener index was the earliest and highly studied topological index, both from putative perspectives and application, and is characterized as the cumulative of disjunctions among all the sets of vertices of G; for more subtle elements see [14, 15, 16].

A graph G=(V, E) where V is the set of vertices and E denotes the set of edges of G, the degree of a vertex u is the total number of edges associated with u and is denoted by λ(u).

Furtula, along with Gutman [17] presented forgotten topological descriptor as u and v are two vertices of an edge E:

(1)F(G)=∑uv  ∈  E(G)(λ(u)2+λ(v)2),

where u, v are vertices. Inspired from the successful discovery of ABC index, Furtula et al. [18], presented the augmented Zagreb index as:

(2)AZI(G)=∑uv  ∈  E(G)(λ(u)×λ(v)λ(u)+λ(v)−2)3

Balaban defined a new index for a graph G with order n and size m, called Balaban index as [19]:

(3)J(G)=mm−n+2∑uv∈E(G)1λ(u)×λ(u),

where m, n are total number of vertices and total number of edges respectively. The re-defined Zagreb indices are introduced by Ranjini et al. [20] in the following way;

(4)ReZG1(G)=∑uv  ∈  E(G)λ(u)+λ(v)λ(u)λ(v)
(5)ReZG2    (G)=∑uv  ∈  E(G)λ(u)λ(v)λ(u)+λ(v)
(6)ReZG3  (G)=∑uv   ∈   E(G)[λ(u)×λ(u)]×[(λ(u)+λ(v))]

2 Applications of Topological Descriptors

Furtula and Gutman [21] raise the insightful limit of forgotten topological index is moderately analogous to first Zagreb index. They designed it for the acentric factors, entropy and to gain relationships coefficient greater than 0.95. These facts highlight the significance of the forgotten index examining the manufactured and pharmacological characteristics of the atomic structure of medication.

Gao et al. [22] demonstrated the forgotten topological index of approximately gigantic drug nuclear compositions. The redefined Zagreb indices give a reasonable association with the steadfastness of unconventional alkane; the all-inclusive alkane and for enlisting the strain imperativeness of different cycloalkanes [3]. To relate with specific physico-chemical properties, Balaban topological descriptor has lot of favoured judicious command over the perceptive vitality of Randic index [23].

Sun et.al. discovered approximately fundamental properties of forgotten descriptor and uncovered that rundown can invigorate the physico-engineered versatility of Zagreb type indices.

The re-defined Zagreb type indices are used for figuring of the total π-electron energy of the molecules inside specific deduced verbalizations [24]. For further results, see [25].

3 Methods

To compute our results, we utilize the strategy for combinatorial techniques, vertex and edge based partitions. Matlab was used for scientific computations and verifications. We used maple for plotting these mathematical results.

4 Structure of Carbon Graphite CG(m,n)

Graphite is an amalgamation of carbon. The chemical graph of carbon graphite CG(m,n) is comprised of a hexagon silhouettes. Carbon graphite is comprised of hexagons as layers in a steady progression and amid these strata there is a frail [3]. The chemical graph of carbon graphite CG(m,n) for it-levels is delineated in Figure 1.

Figure 1 Carbon graphite CG(m,n) t-levels.
Figure 1

Carbon graphite CG(m,n) t-levels.

4.1 Methodology of Carbon: Graphite CG(m,n) Formulas

There are 2t(mn + m + n) vertices and 2n(2mt+t)+m(3t-n)-t-m edges in CG(m,n). A solitary stratum in carbon graphite delineates the graphene layer. Carbon graphite is comprised of various stratum of graphene. The t is the stratum that delineates graphene stratums in carbon graphite, m is the quantity of lines and n is the quantity of: sections in each layer with m is taken as n duplicates of hexagon consecutively and n is taken as m duplicates of hexagons in segment see Figure 1 (see [25]).

In CG(m,n), there are 2(1 + nt + m) vertices of degree 2, 2t - 4 + 2mt - 2m + 2mn vertices of degree 3 and 2mnt-2t+2-2mn vertices of degree 4. The edge set of CG(m,n) is isolated hooked on six allotments in light of the level of termination vertices. Table 1 represents edge parcel of CG(m,n).

Table 1

Edge divider of Carbon graphite graph CG(m,n).

(λ(u), λ(v))Frequency
(2,i2)4
(2,3)4n + 4t - 4
(2,4)4nt + 4m - 4n - 4t
(3,3)4t - 10 + 4m
(3,4)12-6t + 6mn - 14m - 4n + 6mt
(4,4)4mtn - 3tm - 2tn + t - 2 - 7mn + 5m + 4n

4.2 Main Results for carbon graphite CG(m,n)

Theorem 1

If G is a graph of carbon graphite CG(m,n). Then its forgotten topological index is F(G) = 36 - 74t + 16nt - 38m - 74mn + 54mt + 128mnt

Proof: Now using equation (1), and Table 1, we have:

FG=∑u,v∈EGλu2+λv2FCGm,n=∑uv∈E1λu2+λv2+∑uv∈E2λu2+λv2++∑uv∈E3λu2+λv2+∑uv∈E4λu2+λv2++∑uv∈E5λu2+λv2+∑uv∈E6λu2+λv2=8E1CGm,n+13E2CGm,n++20E3CGm,n+18E4CGm,n++25E5CGm,n+32E6CGm,n=84+134n+4t−4+204nt+4m−4n−4t+184t−10+4m++254t−10+4m+324mtn−3tm−2tn+t−2−7mn+5m+4n=36−74t+16nt−38m−74mn+54mt+128mnt.

Theorem 2

If G is a graph of carbon graphite CG(m,n). Then its Augmented Zagreb index is:

AZI(G)=1518029108000+693763375n−99460154000t−16027nt−114256954000m−1680643375mn+                                                             +293121125mt+204827mnt.

Proof: Now using equation (2), and Table 1, we have:

AZIG=∑u,v∈EGλu×λvλu+λv−23AZICGm,n=∑u,v∈E1λu×λvλu+λv−23+∑u,v∈E2λu×λvλu+λv−23++∑u,v∈E3λu×λvλu+λv−23+∑u,v∈E4λu×λvλu+λv−23++∑u,v∈E5λu×λvλu+λv−23+∑u,v∈E6λu×λvλu+λv−23=8E1CGm,n+8E2CGm,n++8E3CGm,n+72964E4CGm,n++1728125E5CGm,n+51227E6CGm,n=84+84n+4t−4+84nt+4m−4n−4t+729644t−10+4m+172812512−6t+6mn−14m−4n+6mt+512274mtn−3tm−2tn+t−2−7mn+5m+4n=1518029108000+693763375n−99460154000t−16027nt−114256954000m−1680643375mn+293121125mt+204827mnt.

Theorem 3

If G is a graph of carbon graphite CG(m,n). Then its Balaban index is

Figure 2 Carbon graphite graph for m=4 and t=3 [25].
Figure 2

Carbon graphite graph for m=4 and t=3 [25].

     J(G)=3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2[−116+263(n+t−1)]+     +3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2[2(nt+m−n−t)+3112m+1912t]+  +3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2[163(12−6t+6mn−14m−4n+6mt)]                         +3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2[mnt−34mt−12nt−74mn+n].

Proof: Now using equation (3), and Table 1, we have:

JG=mm−n+2∑u,v∈EG1λu×λvJCGm,n=mm−n+2∑uv∈E11λu×λv+∑uv∈E21λu×λv++mm−n+2∑uv∈E31λu×λv+∑uv∈E41λu×λv+mm−n+2∑uv∈E51λu×λv+∑uv∈E61λu×λv=3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+212E1CGm,n+16E2CGm,n+3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+218E3CGm,n+13E4CGm,n+3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2112E5CGm,n+14E6CGm,n=3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2124+164n+4t−4+3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2184nt+4m−4n−4t+134t−10+4m+3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+211212−6t+6mn−14m−4n+6mt+3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2144mtn−3tm−2tn+t−2−7mn+5m+4n
         =3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2[−116+263(n+t−1)]   +3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2[2(nt+m−m−t)+3112m+1912t]+3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2[163(12−6t+6mn−14m−4n+6mt)]                          +3mt+2nt+4mnt+−mn−m−t2mnt+mt−mn−m−t+2[mnt−34mt−12nt−74mn+n].

Theorem 4

The redefined Zagreb indices of carbon graphite CG(m,n) are:

                                                   ReG1=2nt+2mt+2mnt,       ReG2(G)=2735−64105n−296105t+43nt−83m−267mn+307mt+8mnt,  ReG3(G)=156+104n−232t−64nt−128m−392mn+120mt+512mnt.

Proof: Now using equations [(4), (5), (6)], and Table 1, we have:

  • Redefine first Zagreb index

ReG1CGm,n=∑uv∈EGλu+λvλuλv=∑uv∈E1λu+λvλuλv+∑uv∈E2λu+λvλuλv+∑uv∈E3λu+λvλuλv+∑uv∈E4λu+λvλuλv+∑uv∈E5λu+λvλuλv+∑uv∈E6λu+λvλuλv=1E1CGm,n+56E2CGm,n+34E3CGm,n++23E4CGm,n+712E5CGm,n+12E6CGm,n=14+564n+4t−4+344nt+4m−4n−4t+234t−10+4m++71212−6t+6mn−14m−4n+6mt+124mtn−3tm−2tn+t−2−7mn+5m+4n=2nt+2mt+2mnt.

  • Redefine second Zagreb Index

ReG2CGm,n=∑uv∈EGλuλvλu+λv=∑uv∈E1λuλvλu+λv+∑uv∈E2λuλvλu+λv+∑uv∈E3λuλvλu+λv+∑uv∈E4λuλvλu+λv+∑uv∈E5λuλvλu+λv+∑uv∈E6λuλvλu+λv=1E1CGm,n+65E2CGm,n+43E3CGm,n++32E4CGm,n+127E5CGm,n+2E6CGm,n=14+654n+4t−4+434nt+4m−4n−4t++324t−10+4m+12712−6t+6mn−14m−4n+6mt++24mtn−3tm−2tn+t−2−7mn+5m+4n=2735−64105n−296105t+43nt−83m−267mn+307mt+8mnt.

  • Redefine third Zagreb Index

ReG3CGm,n=∑uv∈EGλu×λv×λu+λv=∑uv∈E1λu×λv×λu+λv+∑uv∈E2λu×λv×λu+λv++∑uv∈E3λu×λv×λu+λv+∑uv∈E4λu×λv×λu+λv++∑uv∈E5λu×λv×λu+λv+∑uv∈E6λu×λv×λu+λv=16E1CGm,n+30E2CGm,n+48E3CGm,n+54E4CGm,n+84E5CGm,n+128E6CGm,n=164+304n+4t−4+484nt+4m−4n−4t+544t−10+4m+8412−6t+6mn−14m−4n+6mt+1284mtn−3tm−2tn+t−2−7mn+5m+4n=156+104n−232t−64nt−128m−392mn+120mt+512mnt.

5 Structure of Crystal Cubic Carbon

The organisation of crystal cubic carbon comprises of cubes. The chemical graph of precious stone cubic carbon CCC(n) for first glassy is portrayed in Figure 3 (see [25]). For second glassy, the shape is built at each end vertex of first glassy. The second glassy of CCC(n) is portrayed in Figure 4 (see [25]). So proceeding with this methodology to get the following level (see [25]).

Figure 3 For n=1, Crystal Structure of Cubic Carbon.
Figure 3

For n=1, Crystal Structure of Cubic Carbon.

Figure 4 For n=3, Crystal Structure of Cubic Carbon.
Figure 4

For n=3, Crystal Structure of Cubic Carbon.

5.1 Methodology of crystal cubic carbon CCC(n) Formulas

The total number of vertices and edges for CCC(n) are presented in following formulas:

|V(CCC(n))|=2(24∑r=3n(23−1)r−3+31(23−1)n−2+2∑r=0n−2(23−1)r+3)
|E(CCC(n))|=4(24∑r=3n(23−1)r−3+24(23−1)n−2+2∑r=0n−2(23−1)r+3)

In CCC(n), 8(23 - 1)n-1 vertices of degree 3 and there are

2(24∑r=3n(23−1)r−3+3((23−1)n−2+1)+                     +2∑r=0n−2(23−1)r+3

vertices of degree 4. The edge set of CCC(n) is isolated into three parcels see Table 2.

Table 2

Edge partition of CCC(n) based on degrees of end vertices of each edge.

(λ(u),λ(v))Frequency
(3,3)504n-2
(3,4)108n-2
(4,4)12(1+∑r=3n23(23−1)r−3)+8∑r=0n−2(23−1)r

5.2 Main Results for Crystal Cubic Carbon CCC(n)

Theorem 5

If G be a graph of carbon graphite CCC(n). Then its Forgotten index is:

F(G)=384+1896((23−1)n−2)+384(∑r=3n23(23−1)r−3)                                        +256(∑r=0n−2(23−1)r)

Proof: Now using equations (1), and Table 2, we have:

FG=∑u,v∈EGλu2+λv2FG=∑uv∈E1λu2+λv2+∑uv∈E2λu2+λv2+∑uv∈E3λu2+λv2=18E1G+25E2G+32E3G=18504n−2+25108n−2++3212+∑r=3n2323−1r−3+8∑r=0n−223−1r=384+189623−1n−2+384∑r=3n2323−1r−3++256∑r=3n2323−1r.

Theorem 6

If G be a graph of carbon graphite CCC(n). Then its Augmented Zagreb index is:

                                                                  AZI(G=)20489−11519011000(23−1)n−2−20489∑r=3n23(23−1)r−3+409627∑r=0n−2(23−1)r.

Proof: Now using equations (2), and Table 2, we have:

AZIG=∑u,v∈EGλu×λvλu+λv−23AZICCCn=∑uv∈E1λu×λvλu+λv−23+∑uv∈E2λu×λvλu+λv−23++∑uv∈E3λu×λvλu+λv−23=72964E1CCCn+1728125E2CCCn+51227E3CCCn=72964504n−2+1728125108n−2+51227121+∑r=3n2323−1r−3+8∑r=0n−223−1r=20489−1151901100023−1n−2−20489∑r=3n2323−1r−3++409627∑r=0n−223−1r.

Theorem 7

If G be a graph of carbon graphite CCC(n). Then its Balaban index is:

J(G)=4[24∑r=3n(23−1)r−3+24(23−1)n−2+2∑r=0n−2(23−1)r+3]48∑r=3n(2n−1)r−3+34(23−1)n−2+4∑r=0n−2(23−1)r+8×            ×(3+24(23−1)n−2+1233(23−1)n−2+3∑r=3n23(23−1)                        +                                          +2∑r=0n−2(23−1)r).

Proof: Now using equation (3), and Table 2, we have:

J(G)=mm−n+2∑u,v∈E(G)1λ(u)×λ(v)
JG=mm−n+2∑uv∈E11λu×λv+∑uv∈E21λu×λv++mm−n+2∑uv∈E31λu×λv+=424∑r=3n23−1r−3+2423−1n−2+2∑r=0n−223−1r+348∑r=3n2n−1r−3+3423−1n−2+4∑r=0n−223−1r+8××13E1G+112E2G+14E3G=424∑r=3n23−1r−3+2423−1n−2+2∑r=0n−223−1r+348∑r=3n2n−1r−3+3423−1n−2+4∑r=0n−223−1r+8××137223−1n−2+1122423−1n−2+14121+∑r=3n2323−1r−3+8∑r=0n−223−1r=424∑r=3n23−1r−3+2423−1n−2+2∑r=0n−223−1r+348∑r=3n2n−1r−3+3423−1n−2+4∑r=0n−223−1r+8××3+2423−1n−2+123323−1n−2+3∑r=3n2323−1r−3+2∑r=0n−223−1r.

Theorem 8

If G be a graph of carbon graphite CCC(n). Then its redefined Zagreb indices are:

           ReG1(G)=6+62(23−1)n−2+6∑r=3n23(23−1)r−3+4∑r=0n−2(23−1),       ReG2(G)=24+10447(23−1)n−2+24∑r=3n23(23−1)r−3+16∑r=0n−2(23−1)r,ReG3(G)=1536+5904(23−1)n−2+1536∑r=3n23(23−1)r−3+1024∑r=0n−2(23−1)r.

Proof: Now using equations [(4), (5), (6)], and Table 2, we have:

  • Redefine first Zagreb index

ReG1CCCn=∑e=uv∈EGλu+λvλuλv=∑uv∈E1λu+λvλuλv+∑uv∈E2λu+λvλuλv+∑uv∈E3λu+λvλuλv+=23E1G+712E2G+12E3G=237223−1n−2+7122423−1n−2+12121+∑r=3n2323−1r−3+8∑r=0n−223−1r=6+6223−1n−2+6∑r=3n2323−1r−3+4∑r=0n−223−1r

  • Redefine second Zagreb index

                  ReG2(G)=∑e=uv∈E(G)λ(u)λ(v)λ(u)+λ(v)=∑uv∈E1λ(u)λ(v)λ(u)+λ(v)+∑uv∈E2λ(u)λ(v)λ(u)+λ(v)+∑uv∈E3λ(u)λ(v)λ(u)+λ(v)      =32|E1(CCC(n))|+127|E3(CCC(n))|+2|E3(CCC(n))|      =32(508n−2)+127(104n−2)         +2(12(1+∑r=3n23(23−1)r−3)+8∑r=0n−2(23−1)r)=24+10447(23−1)n−2+24∑r=3n23(23−1)r−3+16∑r=0n−2(23−1)r.

  • Redefine third Zagreb index

ReG3G=∑uv∈EGλu×λv×λu+λv=∑uv∈E1λu×λv×λu+λv+∑uv∈E2λu×λv×λu+λv+∑uv∈E3λu×λv×λu+λv=96E1CCCn+127E2CCCn+168E3CCCn=967223−1n−2+1272423−1n−2+168121+∑r=3n2323−1r−3+8∑r=0n−223−1r=1536+590423−1n−2+1536∑r=3n2323−1r−3+1024∑r=0n−223−1r.

6 Comparisons and Discussion

In this fragment, we have calculated all indices for altered tenets of m, n, t for mutual organisations CG(m, n). In accumulation, we build Table 3. The graphical demonstrations of topological indices are portrayed in Figures 5 and Figures 6, for certain values of m, t, n.

Figure 5 Blue, red and green colors represents F(G), AZI(G) and J(G) individually. Comparatively, in the specified territory F(G) is dictating.
Figure 5

Blue, red and green colors represents F(G), AZI(G) and J(G) individually. Comparatively, in the specified territory F(G) is dictating.

Figure 6 Red green and blue colours epitomise ReG1(G), ReG2(G) and ReG3(G), respectively. Its easy to see that ReG3(G) is more dominating in the given domain.
Figure 6

Red green and blue colours epitomise ReG1(G), ReG2(G) and ReG3(G), respectively. Its easy to see that ReG3(G) is more dominating in the given domain.

Table 3

Comparison of all indices for CG(m,n).

[m,n,t]F(G)AZI(G)J(G)ReG1(G)ReG2(G)ReG3(G)
[1,1,1]487.711.41617.4276
[2,2,2]35.586.323245.182396
[3,3,3]38635.586.323245.182396
[4,4,4]176.6529.12192107.0417850
75992.3218.1111681.2310420
1186176.6529.12192107.0417850

The numerical and graphical representations of topological indices of CCC(n) are depicted in Table 4, Figure 7 and Figure 8 respectively, for certain values of n.

Figure 7 Comparison of F(G), AZI(G) and J(G) of CCC(n). As F(G) is dominating.
Figure 7

Comparison of F(G), AZI(G) and J(G) of CCC(n). As F(G) is dominating.

Figure 8 Green, red and blue represent ReG1(G), ReG2(G) and ReG3(G), respectively. Now ReG3(G) more dominating.
Figure 8

Green, red and blue represent ReG1(G), ReG2(G) and ReG3(G), respectively. Now ReG3(G) more dominating.

Table 4

Comparison of all indices for CCC(n).

[m,n,t]F(G)AZI(G)J(G)ReG1(G)ReG2(G)ReG3(G)
[1,1,1]13817.2714.264222.3686
[2,2,2]98665.1598.4411248.232498
[3,3,3]1850186.4416.1245696.2412426
[4,4,4]2488356.8728.44886204.1819868

7 Conclusions

In this paper, we have studied and calculated degree based topological indices, mainly Forgotten index, Augmented Zagreb index, Balban index and redefined Zagreb indices for CG(m, n) and CCC(n).

Acknowledgement

The authors are grateful to the anonymous referees for their valuable comments and suggestions that improved this paper.

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

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

  3. Funding: This work was supported by the Soft Scientific Research of Sichuan Province under grant 2018ZR0265, Sichuan Military and Civilian Integration Strategy Research Center under grant JMRH-1818, and Sichuan Provincial Department of Education (Key Project) under grant 18ZA0118.

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Received: 2018-10-18
Accepted: 2018-12-21
Published Online: 2020-05-27

© 2020 Muhammad Naeem et al., published by De Gruyter

This work is licensed under the Creative Commons Attribution 4.0 International License.

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https://doi.org/10.1515/chem-2020-0035
Keywords for this article
Balaban; Forgotten and Augmented index; Re-defined Zagreb index; Carbon Graphite; Crystal Cubic
Creative Commons
BY 4.0

Articles in the same Issue

  1. Regular Articles
  2. Electrochemical antioxidant screening and evaluation based on guanine and chitosan immobilized MoS2 nanosheet modified glassy carbon electrode (guanine/CS/MoS2/GCE)
  3. Kinetic models of the extraction of vanillic acid from pumpkin seeds
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  49. Enhancement of thermal properties of bio-based microcapsules intended for textile applications
  50. Exploring the effect of khat (Catha edulis) chewing on the pharmacokinetics of the antiplatelet drug clopidogrel in rats using the newly developed LC-MS/MS technique
  51. A green strategy for obtaining anthraquinones from Rheum tanguticum by subcritical water
  52. Cadmium (Cd) chloride affects the nutrient uptake and Cd-resistant bacterium reduces the adsorption of Cd in muskmelon plants
  53. Removal of H2S by vermicompost biofilter and analysis on bacterial community
  54. Structural cytotoxicity relationship of 2-phenoxy(thiomethyl)pyridotriazolopyrimidines: Quantum chemical calculations and statistical analysis
  55. A self-breaking supramolecular plugging system as lost circulation material in oilfield
  56. Synthesis, characterization, and pharmacological evaluation of thiourea derivatives
  57. Application of drug–metal ion interaction principle in conductometric determination of imatinib, sorafenib, gefitinib and bosutinib
  58. Synthesis and characterization of a novel chitosan-grafted-polyorthoethylaniline biocomposite and utilization for dye removal from water
  59. Optimisation of urine sample preparation for shotgun proteomics
  60. DFT investigations on arylsulphonyl pyrazole derivatives as potential ligands of selected kinases
  61. Treatment of Parkinson’s disease using focused ultrasound with GDNF retrovirus-loaded microbubbles to open the blood–brain barrier
  62. New derivatives of a natural nordentatin
  63. Fluorescence biomarkers of malignant melanoma detectable in urine
  64. Study of the remediation effects of passivation materials on Pb-contaminated soil
  65. Saliva proteomic analysis reveals possible biomarkers of renal cell carcinoma
  66. Withania frutescens: Chemical characterization, analgesic, anti-inflammatory, and healing activities
  67. Design, synthesis and pharmacological profile of (−)-verbenone hydrazones
  68. Synthesis of magnesium carbonate hydrate from natural talc
  69. Stability-indicating HPLC-DAD assay for simultaneous quantification of hydrocortisone 21 acetate, dexamethasone, and fluocinolone acetonide in cosmetics
  70. A novel lactose biosensor based on electrochemically synthesized 3,4-ethylenedioxythiophene/thiophene (EDOT/Th) copolymer
  71. Citrullus colocynthis (L.) Schrad: Chemical characterization, scavenging and cytotoxic activities
  72. Development and validation of a high performance liquid chromatography/diode array detection method for estrogen determination: Application to residual analysis in meat products
  73. PCSK9 concentrations in different stages of subclinical atherosclerosis and their relationship with inflammation
  74. Development of trace analysis for alkyl methanesulfonates in the delgocitinib drug substance using GC-FID and liquid–liquid extraction with ionic liquid
  75. Electrochemical evaluation of the antioxidant capacity of natural compounds on glassy carbon electrode modified with guanine-, polythionine-, and nitrogen-doped graphene
  76. A Dy(iii)–organic framework as a fluorescent probe for highly selective detection of picric acid and treatment activity on human lung cancer cells
  77. A Zn(ii)–organic cage with semirigid ligand for solvent-free cyanosilylation and inhibitory effect on ovarian cancer cell migration and invasion ability via regulating mi-RNA16 expression
  78. Polyphenol content and antioxidant activities of Prunus padus L. and Prunus serotina L. leaves: Electrochemical and spectrophotometric approach and their antimicrobial properties
  79. The combined use of GC, PDSC and FT-IR techniques to characterize fat extracted from commercial complete dry pet food for adult cats
  80. MALDI-TOF MS profiling in the discovery and identification of salivary proteomic patterns of temporomandibular joint disorders
  81. Concentrations of dioxins, furans and dioxin-like PCBs in natural animal feed additives
  82. Structure and some physicochemical and functional properties of water treated under ammonia with low-temperature low-pressure glow plasma of low frequency
  83. Mesoscale nanoparticles encapsulated with emodin for targeting antifibrosis in animal models
  84. Amine-functionalized magnetic activated carbon as an adsorbent for preconcentration and determination of acidic drugs in environmental water samples using HPLC-DAD
  85. Antioxidant activity as a response to cadmium pollution in three durum wheat genotypes differing in salt-tolerance
  86. A promising naphthoquinone [8-hydroxy-2-(2-thienylcarbonyl)naphtho[2,3-b]thiophene-4,9-dione] exerts anti-colorectal cancer activity through ferroptosis and inhibition of MAPK signaling pathway based on RNA sequencing
  87. Synthesis and efficacy of herbicidal ionic liquids with chlorsulfuron as the anion
  88. Effect of isovalent substitution on the crystal structure and properties of two-slab indates BaLa2−xSmxIn2O7
  89. Synthesis, spectral and thermo-kinetics explorations of Schiff-base derived metal complexes
  90. An improved reduction method for phase stability testing in the single-phase region
  91. Comparative analysis of chemical composition of some commercially important fishes with an emphasis on various Malaysian diets
  92. Development of a solventless stir bar sorptive extraction/thermal desorption large volume injection capillary gas chromatographic-mass spectrometric method for ultra-trace determination of pyrethroids pesticides in river and tap water samples
  93. A turbidity sensor development based on NL-PI observers: Experimental application to the control of a Sinaloa’s River Spirulina maxima cultivation
  94. Deep desulfurization of sintering flue gas in iron and steel works based on low-temperature oxidation
  95. Investigations of metallic elements and phenolics in Chinese medicinal plants
  96. Influence of site-classification approach on geochemical background values
  97. Effects of ageing on the surface characteristics and Cu(ii) adsorption behaviour of rice husk biochar in soil
  98. Adsorption and sugarcane-bagasse-derived activated carbon-based mitigation of 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl) urea-contaminated soils
  99. Antimicrobial and antifungal activities of bifunctional cooper(ii) complexes with non-steroidal anti-inflammatory drugs, flufenamic, mefenamic and tolfenamic acids and 1,10-phenanthroline
  100. Application of selenium and silicon to alleviate short-term drought stress in French marigold (Tagetes patula L.) as a model plant species
  101. Screening and analysis of xanthine oxidase inhibitors in jute leaves and their protective effects against hydrogen peroxide-induced oxidative stress in cells
  102. Synthesis and physicochemical studies of a series of mixed-ligand transition metal complexes and their molecular docking investigations against Coronavirus main protease
  103. A study of in vitro metabolism and cytotoxicity of mephedrone and methoxetamine in human and pig liver models using GC/MS and LC/MS analyses
  104. A new phenyl alkyl ester and a new combretin triterpene derivative from Combretum fragrans F. Hoffm (Combretaceae) and antiproliferative activity
  105. Erratum
  106. Erratum to: A one-step incubation ELISA kit for rapid determination of dibutyl phthalate in water, beverage and liquor
  107. Review Articles
  108. Sinoporphyrin sodium, a novel sensitizer for photodynamic and sonodynamic therapy
  109. Natural products isolated from Casimiroa
  110. Plant description, phytochemical constituents and bioactivities of Syzygium genus: A review
  111. Evaluation of elastomeric heat shielding materials as insulators for solid propellant rocket motors: A short review
  112. Special Issue on Applied Biochemistry and Biotechnology 2019
  113. An overview of Monascus fermentation processes for monacolin K production
  114. Study on online soft sensor method of total sugar content in chlorotetracycline fermentation tank
  115. Studies on the Anti-Gouty Arthritis and Anti-hyperuricemia Properties of Astilbin in Animal Models
  116. Effects of organic fertilizer on water use, photosynthetic characteristics, and fruit quality of pear jujube in northern Shaanxi
  117. Characteristics of the root exudate release system of typical plants in plateau lakeside wetland under phosphorus stress conditions
  118. Characterization of soil water by the means of hydrogen and oxygen isotope ratio at dry-wet season under different soil layers in the dry-hot valley of Jinsha River
  119. Composition and diurnal variation of floral scent emission in Rosa rugosa Thunb. and Tulipa gesneriana L.
  120. Preparation of a novel ginkgolide B niosomal composite drug
  121. The degradation, biodegradability and toxicity evaluation of sulfamethazine antibiotics by gamma radiation
  122. Special issue on Monitoring, Risk Assessment and Sustainable Management for the Exposure to Environmental Toxins
  123. Insight into the cadmium and zinc binding potential of humic acids derived from composts by EEM spectra combined with PARAFAC analysis
  124. Source apportionment of soil contamination based on multivariate receptor and robust geostatistics in a typical rural–urban area, Wuhan city, middle China
  125. Special Issue on 13th JCC 2018
  126. The Role of H2C2O4 and Na2CO3 as Precipitating Agents on The Physichochemical Properties and Photocatalytic Activity of Bismuth Oxide
  127. Preparation of magnetite-silica–cetyltrimethylammonium for phenol removal based on adsolubilization
  128. Topical Issue on Agriculture
  129. Size-dependent growth kinetics of struvite crystals in wastewater with calcium ions
  130. The effect of silica-calcite sedimentary rock contained in the chicken broiler diet on the overall quality of chicken muscles
  131. Physicochemical properties of selected herbicidal products containing nicosulfuron as an active ingredient
  132. Lycopene in tomatoes and tomato products
  133. Fluorescence in the assessment of the share of a key component in the mixing of feed
  134. Sulfur application alleviates chromium stress in maize and wheat
  135. Effectiveness of removal of sulphur compounds from the air after 3 years of biofiltration with a mixture of compost soil, peat, coconut fibre and oak bark
  136. Special Issue on the 4th Green Chemistry 2018
  137. Study and fire test of banana fibre reinforced composites with flame retardance properties
  138. Special Issue on the International conference CosCI 2018
  139. Disintegration, In vitro Dissolution, and Drug Release Kinetics Profiles of k-Carrageenan-based Nutraceutical Hard-shell Capsules Containing Salicylamide
  140. Synthesis of amorphous aluminosilicate from impure Indonesian kaolin
  141. Special Issue on the International Conf on Science, Applied Science, Teaching and Education 2019
  142. Functionalization of Congo red dye as a light harvester on solar cell
  143. The effect of nitrite food preservatives added to se’i meat on the expression of wild-type p53 protein
  144. Biocompatibility and osteoconductivity of scaffold porous composite collagen–hydroxyapatite based coral for bone regeneration
  145. Special Issue on the Joint Science Congress of Materials and Polymers (ISCMP 2019)
  146. Effect of natural boron mineral use on the essential oil ratio and components of Musk Sage (Salvia sclarea L.)
  147. A theoretical and experimental study of the adsorptive removal of hexavalent chromium ions using graphene oxide as an adsorbent
  148. A study on the bacterial adhesion of Streptococcus mutans in various dental ceramics: In vitro study
  149. Corrosion study of copper in aqueous sulfuric acid solution in the presence of (2E,5E)-2,5-dibenzylidenecyclopentanone and (2E,5E)-bis[(4-dimethylamino)benzylidene]cyclopentanone: Experimental and theoretical study
  150. Special Issue on Chemistry Today for Tomorrow 2019
  151. Diabetes mellitus type 2: Exploratory data analysis based on clinical reading
  152. Multivariate analysis for the classification of copper–lead and copper–zinc glasses
  153. Special Issue on Advances in Chemistry and Polymers
  154. The spatial and temporal distribution of cationic and anionic radicals in early embryo implantation
  155. Special Issue on 3rd IC3PE 2020
  156. Magnetic iron oxide/clay nanocomposites for adsorption and catalytic oxidation in water treatment applications
  157. Special Issue on IC3PE 2018/2019 Conference
  158. Exergy analysis of conventional and hydrothermal liquefaction–esterification processes of microalgae for biodiesel production
  159. Advancing biodiesel production from microalgae Spirulina sp. by a simultaneous extraction–transesterification process using palm oil as a co-solvent of methanol
  160. Topical Issue on Applications of Mathematics in Chemistry
  161. Omega and the related counting polynomials of some chemical structures
  162. M-polynomial and topological indices of zigzag edge coronoid fused by starphene
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