1. Introduction
Topological indices (or chemical indices) have a significant role in studying the structures and properties of molecular compounds. Related studies have shown that topological indices are closely related to physico-chemical properties or biological activity [
1,
2]. Vertex-degree-based (VDB) topological indices, as an important type of topological index, have long been considered and applied in QSPR/QSAR research [
3,
4]. Due to their significance in application, much mathematical and chemical literature for the extremal values and extremal graphs have been published, and they are often considered and verified to have some excellent chemical properties. For relevant research, see [
5,
6,
7].
Throughout the whole paper, the considered graphs are simple, connected and undirected. For a graph
G with order
n, the sets of vertices and edges are denoted by
and
, respectively. We use
, or
for short, to represent the degree of vertex
v. For a vertex
, if
, we say that
v is pendent. If the edge
, then the two vertices
u and
v are adjacent. The vertex set adjacent to
v is known as its neighbor, which is denoted by
or by
for short. If
, the graph
represents the resulting graph by adding the edge
from
G. Meanwhile, we use
, which represents the resulting graph by deleting the edge
in
G for the edge
. Let
,
, and
denote the path, star, and set of trees with order
n, respectively. We use
to represent a double star with the degrees of the two centers being
r and
, where
. For more notations and symbols, the readers can refer to
Table 1 at the end of this section.
A general vertex-degree-based (VDB for short) index of
G is defined as
where
is a real symmetric function for
. To learn more about the relevant results, the readers can refer to [
8,
9,
10]. In particular, in [
8], Gutman collected a few significant and well-investigated VDB topological indices.
In 2019, In [
11], Rada first defined the exponential of
as
where
is a binary function for
.
The study of VDB topological indices has attracted increasing attention, especially in order to determine the extremal values of
or
for some special types of graphs. The authors of [
12] provide a good method to obtain whether the star
or path
are the extremal trees for VDB indices. Additionally, if
is concave upwards and increasing on
, the maximum trees of
were determined in [
13]. In [
14], Gao provided some conditions for binary function
. If
matches some conditions, then the necessary and sufficient conditions for a chemical tree being the largest
are attained. Very recently, the authors of [
15] gave sufficient conditions for
being the only smallest
tree, and the sufficient conditions for
being the only largest
tree. For research on
or
, the readers can refer to [
16,
17,
18,
19].
2. Necessity of the Logarithmic VDB Topological Indices
However, the functions involved in VDB indices studied in previous literature did not include logarithmic functions, and the more complete results are mainly the VDB indices in the form of the exponential function in [
11]. As an inverse function of the exponential function, theoretically, the logarithmic form of the VDB indices should also be improved. Thus, we introduce a new VDB topological index, the logarithmic VDB index
of a graph
G:
where
is a binary function for
.
Besides its theoretical significance, the logarithmic of
has an excellent discriminative property. For example,
T and
are depicted in
Figure 1. Clearly,
but
, where the Randič index
.
Meanwhile, we can calculate the values of the exponential Randič index
and the logarithmic Randič index
; the detailed process is as follows:
From
Table 2, we can conclude that
,
, and
. That is to say, for trees
T and
, the general Randič index has no discriminability, while both the exponential Randič index and logarithmic Randič index have a discrimination property. As is well-known, the Randič index has been widely applied in various aspects of chemical research. Therefore, as a class of VDB topological indices, studying the logarithmic VDB index has theoretical significance and practical value.
In this paper, we mainly focus on the extremal trees for the logarithmic index
. In
Section 4, we present sufficient conditions for
being the only tree with minimal values of
. In
Section 5, we obtain the sufficient conditions for
being the only tree with maximal and minimal values of
. In addition, as applications, the minimal and maximal trees of some logarithmic VDB indices are determined in
Section 6.
3. Preliminaries
In the remainder of this paper, suppose that , and is the symmetric function for . Now, we will first provide some useful lemmas for the later sections.
Lemma 1. Let , and . Then,
(1) If , then is strictly increasing on ;
(2) If , then is strictly decreasing on .
Proof. As , thus is strictly increasing under the conditions of and . Likewise, result (2) holds. □
Lemma 2. Let , where is a symmetric function for . For any , if . then, Proof. Since
, according to the condition of lemma, we obtain the following:
Hence, the lemma is proven. □
Lemma 3. If , then , and , where and .
Proof. Clearly, , where , and . In the following, we will verify that .
In general, assuming that
, note that
thus, the lemma is true if the equality
holds, i.e.,
If
, then:
and
If
, and because
, then:
Hence, the lemma has been proven. □
Lemma 4. Let there be a binary function , where . Then,
(1) , ; and
(2) , where .
Proof. (1) Since
, and
, thus
. Note that
and therefore,
(2) Substituting
into
yields that
i.e.,
Hence, to complete the lemma’s proof, it is only necessary to prove the following:
Let us first consider
. Note that
Thus, we obtain the following:
In the following, we only need to prove that
. Let
, where
. Since
then
This implies that
, and therefore,
Now, let us turn to prove
. Let
, where
. Since
and
thus, we have
That is to say,
y is increasing, and hence,
Therefore, combining the above two inequations, the lemma proof is completed. □
4. Sufficient Conditions for Is the Minimum Tree
In this section, sufficient conditions for being the minimal tree among all are given. We present the following transformation first.
Transformation 1. Assume that
, and let
x be the vertex in
T.
is the tree obtained from
T by adding two pendent paths
and
attached at
x, where
,
,
, and
.
is the resulting graph obtained from
by removing edge
and connecting a new edge
, i.e.,
.
and
are depicted in
Figure 2. Clearly,
.
Lemma 5. Let and be the graphs in Transformation 1 (see Figure 2), where . If matches conditions , , and , then . Proof. Denote
, where
, and
. Since
, then
. Thus, we have the following:
Since
and
, by Lemma 1, we obtain
. Using Lemma 2, we have
Thus, the lemma is completed. □
Lemma 6. Let and be the graphs in Transformation 1 (see Figure 2), where . If matches conditions , , and , then . Proof. Denote
, where
, and
. Since
, then
, and
. Therefore, we have the following:
According to
and
, by Lemma 1, we have
. This, together with Lemma 2, implies that
Hence, we finished the proof. □
Lemma 7. Let and be the graphs in Transformation 1 (see Figure 2), where . If matches conditions , , and , then . Proof. Denote
, where
, and
. Since
, then
. Hence, we have the following:
By
, and Lemma 1, we have
. Now, applying Lemma 2, we have the following:
Thus, the proof is done. □
With the help of lemmas, we now present the core theorem.
Theorem 1. Let , assuming that satisfies the following conditions:
, ;
;
; and
;
Proof. Conditions (1)–(4) are satisfied for the results of Lemmas 5–7. If , then, using Transformation 1 repeatedly, is attained from T. Moreover, according to Lemmas 5–7, we have . Therefore, , where T is isomorphic to , the equality holds. Thus, the proof is completed. □
5. Sufficient Conditions for Being Extremal Trees
In
Section 4, we present sufficient conditions for
being the extremal trees among all
. We introduce Transformation 2 first.
Transformation 2. Let
,
, where
. Let
,
, and
. In
T, replacing the edge
with
at each vertex
, we then obtain a new tree
; see
Figure 3. Clearly,
.
With the help of Transformation 2, we first give sufficient conditions for the star is the maximal tree among all .
Lemma 8. Let T and be the graphs in Transformation 2 (see Figure 3). If is a real symmetric function with , and meets the condition , then . Proof. For convenience, suppose that
and
, where
. Thus, we have
,
, and:
Since the same expressions
,
, and
are included in the above equation, therefore, under the condition
, the above equation simplified as follows:
Furthermore, by Lemma 2, we can easily obtain
. Hence, the lemma has been proven. □
Theorem 2. Let . If for any , and meets the condition , and then the star is the maximal tree among all .
Proof. Let T be a tree with n vertices, represents the sum of pendent vertices. If or , then T can only be the double star or star , where . Thus, assume that for the rest of the proof.
Assume that is a new tree obtained by removing all pendent vertices from T. Then, we have . Moreover, the degree of is greater than or equal 2. Let us consider two edges; suppose that and , such that . Without loss of generality, let . Note that , and . By Transformation 2, a new tree is generated from T, while satisfying . According to Lemma 8, .
If is not equal to , then using Transformation 2 again for , we can finally obtain the double star . Therefore, applying Lemma 8, we have .
Hence, to complete the proof, it is just needed to prove that
. Note that
Thus,
By substituting the condition into above equation, we can obtain the following:
Hence, the theorem holds. □
In the remainder of this section, by utilizing the monotonicity and concavity of functions, we will give sufficient conditions for the star being the minimal tree of .
Lemma 9. Assuming that T and are trees in Transformation 2 (see Figure 3), if meets the conditions , , and , then . Proof. Denote
and
, where
. Similar to Lemma 8, we have
,
, and
By Lemma 1,
is decreasing on
x. Then, for
,
and for
,
Since
thus,
is concave down on
x. Hence,
Combining the above two equations, the lemma holds true. □
Theorem 3. Let . If meet the following conditions:
(1) , , , and
(2) ,
Proof. First, we will prove the minimal tree of is or . Let represent the sum of pendent vertices in T. If or , then T can only be the double star or star , where . Thus, we assume that for the rest of the proof.
Assuming that is a new tree obtained by removing all pendent vertices from T, we have , and for any . Now, consider two edges, and suppose that and , such that . Without loss of generality, let . By Transformation 2, a new tree is generated from T, such that . According to Lemma 9, we have .
If is not equal to , then using Transformation 2 again for , we can finally obtain the double star . Therefore, according to Lemma 9, .
Second, we will prove that
. Note that
By the condition
, we obtain the following:
Therefore, the theorem holds true. □
6. Applications
Note that if
,
,
,
,
,
,
,
,
,
, and
, then the conditions of Theorem 1 are matched. Thus, as an application of Theorem 1, we declare that the minimal tree is
for the logarithmic VDB indices labeled in
Table 3.
Likewise, if
, or
, by Lemma 3, the conditions of Theorem 2 are established. Thus, according to Theorem 2, the maximal tree is
for the logarithmic reciprocal Randič index and general second Zagreb index. Similarly, if
, by Lemma 4, the conditions of Theorem 3 are established. Therefore, by applying Theorem 3, the minimal tree is
for the logarithmic Inverse sum index. The main results are depicted in
Table 3.
7. Conclusions
Our main contribution consists in introducing the logarithmic VDB index
and investigating the minimal and maximal trees for
. In
Section 2, the logarithmic VDB index is shown to have excellent discriminability, and its research is of theoretical significance and practical value.
As the inverse function of the exponential VDB index, we speculated that the corresponding extremum results may be opposite. However, based on our work in
Section 4 and
Section 5, this is not the case. This implies that the logarithmic VDB index
is interesting.
However, due to the fact that logarithmic functions do not have good monotonicity and convexity, the study of
has become very complex, to the extent that in
Table 3, we only determined maximal values of
for
, and
. Therefore, the study of the logarithmic VDB index is an interesting but difficult task that requires further resolution.