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Article

Extremal Trees for Logarithmic VDB Topological Indices

1
School of Mathematics and Computational Sciences, Huaihua University, Huaihua 418000, China
2
College of Mathematics and Statistics, Hunan Normal University, Changsha 410081, China
*
Author to whom correspondence should be addressed.
Axioms 2024, 13(9), 632; https://doi.org/10.3390/axioms13090632
Submission received: 18 August 2024 / Revised: 12 September 2024 / Accepted: 14 September 2024 / Published: 16 September 2024

Abstract

:
Vertex-degree-based (VDB) topological indices have been applied in the study of molecular structures and chemical properties. At present, the exponential VDB index has been studied extensively. Naturally, we began to consider the logarithmic VDB index ln T f . In this paper, we first discuss the necessity of a logarithmic VDB index, and then present sufficient conditions so that P n and S n are the only trees with the smallest and greatest values of ln T f ( T ) . As applications, the minimal and maximal trees of some logarithmic VDB indices are determined. Through our work, we found that the logarithmic VDB index ln T f has excellent discriminability, but the relevant results are not completely opposite to the exponential VDB index. The study of logarithmic VDB indices is an interesting but difficult task that requires further resolution.
MSC:
05C05; 05C09; 05C92

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 V ( G ) and E ( G ) , respectively. We use d G ( u ) , or d ( u ) for short, to represent the degree of vertex v. For a vertex v G , if d G ( v ) = 1 , we say that v is pendent. If the edge { u v } E ( G ) , then the two vertices u and v are adjacent. The vertex set adjacent to v is known as its neighbor, which is denoted by N G ( v ) or by N ( v ) for short. If { u v } E ( G ) , the graph G + { u v } represents the resulting graph by adding the edge { u v } from G. Meanwhile, we use G { u v } , which represents the resulting graph by deleting the edge { u v } in G for the edge { u v } E ( G ) . Let P n , S n , and T n denote the path, star, and set of trees with order n, respectively. We use S r , n r to represent a double star with the degrees of the two centers being r and n r , where 2 r n 2 . 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
T f = T f ( G ) = { u v } E ( G ) f ( d ( u ) , d ( v ) ) ,
where f ( x , y ) is a real symmetric function for x , y 1 . 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 T f as
e T f = e T f ( G ) = { u v } E ( G ) e f ( d ( u ) , d ( v ) )   =   { u v } E ( G ) β ( d ( u ) , d ( v ) ) ,
where f ( x , y ) = f ( y , x ) is a binary function for x , y 1 .
The study of VDB topological indices has attracted increasing attention, especially in order to determine the extremal values of T f or e T f for some special types of graphs. The authors of [12] provide a good method to obtain whether the star S n or path P n are the extremal trees for VDB indices. Additionally, if f ( x , y ) is concave upwards and increasing on x > 0 , the maximum trees of T f were determined in [13]. In [14], Gao provided some conditions for binary function f ( x , y ) . If f ( x , y ) matches some conditions, then the necessary and sufficient conditions for a chemical tree being the largest T f are attained. Very recently, the authors of [15] gave sufficient conditions for P n being the only smallest e T f tree, and the sufficient conditions for S n being the only largest e T f tree. For research on T f or e T f , 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 ln T f ( G ) of a graph G:
ln T f = ln T f ( G ) = { u v } E ( G ) ln f ( d ( u ) , d ( v ) ) = u v E ( G ) γ ( d ( u ) , d ( v ) ) ,
where f ( x , y ) = f ( y , x ) is a binary function for x , y 1 .
Besides its theoretical significance, the logarithmic of ln T f has an excellent discriminative property. For example, T and T are depicted in Figure 1. Clearly, T T but χ ( T ) = χ ( T ) = 36 + 2 2 2 2 , where the Randič index χ ( T ) = { u v } E ( T ) 1 ( d ( u ) d ( v ) ) .
Meanwhile, we can calculate the values of the exponential Randič index e χ and the logarithmic Randič index ln χ ; the detailed process is as follows:
e χ = 12 e 1 2 + 12 e 1 8 + 4 e 1 4 46.56 ,
e χ = 10 e 1 2 + 16 e 1 8 + 2 e 1 2 46.36 ,
ln χ ( T ) = 12 ln 1 2 + 12 ln 1 8 + 4 ln 1 4 22.18 ,
ln χ ( T ) = 10 ln 1 2 + 16 ln 1 8 + 2 ln 1 2 21.49 .
From Table 2, we can conclude that χ ( T ) = χ ( T ) , e χ ( T ) e χ ( T ) , and ln χ ( T ) ln χ ( T ) . That is to say, for trees T and T , 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 ln T f . In Section 4, we present sufficient conditions for P n being the only tree with minimal values of ln T f ( T ) . In Section 5, we obtain the sufficient conditions for S n being the only tree with maximal and minimal values of ln T f ( T ) . 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 γ ( x , y ) = ln f ( x , y ) , and f ( x , y ) = f ( y , x ) is the symmetric function for x , y 1 . Now, we will first provide some useful lemmas for the later sections.
Lemma 1.
Let γ ( x , y ) = ln f ( x , y ) , and f ( x , y ) > 0 . Then,
(1) If f x > 0 , then γ ( x , y ) is strictly increasing on x 1 ;
(2) If f x < 0 , then γ ( x , y ) is strictly decreasing on x 1 .
Proof. 
As γ x = ( ln f ( x , y ) ) x = f x f ( x , y ) , thus γ ( x , y ) is strictly increasing under the conditions of f > 0 and f x > 0 . Likewise, result (2) holds. □
Lemma 2.
Let γ ( x , y ) = ln f ( x , y ) , where f ( x , y ) > 0 is a symmetric function for x , y 1 . For any r 1 , if f ( x 1 , y 1 ) · f ( x 2 , y 2 ) f ( x r , y r ) f ( x 1 , y 1 ) · f ( x 2 , y 2 ) f ( x r , y r ) . then,
γ ( x 1 , y 1 ) + γ ( x 2 , y 2 ) + + γ ( x r , y r ) γ ( x 1 , y 1 ) + γ ( x 2 , y 2 ) + + γ ( x r , y r ) .
Proof. 
Since γ ( x , y ) = ln f ( x , y ) , according to the condition of lemma, we obtain the following:
γ ( x 1 , y 1 ) + γ ( x 2 , y 2 ) + + γ ( x r , y r ) γ ( x 1 , y 1 ) + γ ( x 2 , y 2 ) + + γ ( x r , y r ) = ln f ( x 1 , y 1 ) · f ( x 2 , y 2 ) f ( x r , y r ) f ( x 1 , y 1 ) · f ( x 2 , y 2 ) f ( x r , y r ) l n 1 = 0 .
Hence, the lemma is proven. □
Lemma 3.
If f ( x , y ) = ( x y ) α ( α > 0 ) , then f ( x , y ) = g ( x ) h ( y ) , and g ( r + 1 ) r + 1 · g ( s + 1 ) s + 1 < g ( 1 ) · g ( r + s + 1 ) r + s + 1 , where r 1 and s 1 .
Proof. 
Clearly, f ( x , y ) = ( x y ) α = g ( x ) h ( y ) , where g ( x ) = x α , and h ( y ) = y α . In the following, we will verify that g ( r + 1 ) r + 1 · g ( s + 1 ) s + 1 < g ( 1 ) · g ( r + s + 1 ) r + s + 1 .
In general, assuming that r s , note that
g ( r + s + 1 ) r + s + 1 = ( r + s + 1 ) α ( r + s + 1 ) = ( s + 1 ) α ( s + 1 ) · ( r + s + 1 s + 1 ) α ( s + 1 ) · ( r + s + 1 ) α r = g ( s + 1 ) s + 1 · ( r + s + 1 s + 1 ) α ( s + 1 ) · ( r + s + 1 ) α r ,
thus, the lemma is true if the equality g ( r + 1 ) r + 1 = ( r + 1 ) α ( r + 1 ) < ( r + s + 1 s + 1 ) α ( s + 1 ) · ( r + s + 1 ) α r holds, i.e.,
( r + s + 1 s + 1 ) s + 1 · ( r + s + 1 s + 1 ) r + 1 > 1 + r .
If r = 1 , 2 , then:
( r + s + 1 s + 1 ) s + 1 · ( r + s + 1 r + 1 ) s = ( 3 2 ) 2 ( 3 2 ) > 1 + 1 = 2 , if s = r = 1 , ( 5 3 ) 2 ( 5 3 ) > 1 + 2 = 3 , if s = r = 2 .
and
( r + s + 1 s + 1 ) s + 1 · ( r + s + 1 r + 1 ) r > ( r + s + 1 r + 1 ) r = ( 1 + 2 + 1 2 ) 1 = 2 1 + 1 = 2 , if s > r = 1 , ( 2 + 3 + 1 2 ) 2 = 4 1 + 2 = 3 , if s > r = 2 .
If s 3 , and because s r , then:
( r + s + 1 s + 1 ) s + 1 · ( r + s + 1 r + 1 ) r > ( r + s + 1 r + 1 ) r ( 2 r + 1 r + 1 ) r = ( 1 + r r + 1 ) r C r 0 + C r 1 r r + 1 + C r 2 ( r r + 1 ) 2 + C r 3 ( r r + 1 ) 3 = 1 + r 2 r + 1 + r ( r 1 ) r 2 2 ( r + 1 ) 2 + r ( r 1 ) ( r 2 ) r 3 6 ( r + 1 ) 3 1 + r 2 r + 1 + r 3 ( r + 1 ) 2 + r 3 ( r 2 ) ( r + 1 ) 3 1 + r .
Hence, the lemma has been proven. □
Lemma 4.
Let there be a binary function f ( x , y ) = x y x + y , where x , y 1 . Then,
(1) f x < 0 , 2 f x 2 · f ( f x ) 2 < 0 ; and
(2) f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) > f ( 1 , n 1 ) n 1 , where 2 r n 2 .
Proof. 
(1) Since f x = y x y ( x + y ) 2 , and x , y 1 , thus f x < 0 . Note that
2 f x 2 = ( y x y ( x + y ) 2 ) = x y y 2 2 y ( x + y ) 3 ,
and therefore,
2 f x 2 · f ( f x ) 2 = ( x y y 2 2 y ) x y ( x + y ) 4 ( y x y ) 2 ( x + y ) 4 = x y 3 y 2 ( x + y ) 4 < 0 .
(2) Substituting f ( x , y ) = x y x + y into f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) > f ( 1 , n 1 ) n 1 yields that
( r r + 1 ) r 1 · ( n r n + 1 r ) n 1 r · r ( n r ) n > ( n 1 n ) n 1 ,
i.e.,
r r · ( n + 1 r ) ( r + 1 ) r 1 · n · ( n r n + 1 r ) n r > ( n 1 n ) n 1 .
Hence, to complete the lemma’s proof, it is only necessary to prove the following:
r r · ( n + 1 r ) ( r + 1 ) r 1 · n > 1 , a n d ( n r n + 1 r ) n r > ( n 1 n ) n 1 .
Let us first consider r r · ( n + 1 r ) ( r + 1 ) r 1 · n > 1 . Note that
( r r + 1 ) r 1 = ( 1 1 r + 1 ) r 1 = C r 1 0 C r 1 1 1 r + 1 + C r 1 2 ( 1 r + 1 ) 2 + C r 1 r 1 ( 1 r + 1 ) r 1 > 1 r 1 r + 1 = 2 r + 1 .
Thus, we obtain the following:
r r · ( n + 1 r ) ( r + 1 ) r 1 · n = ( r r + 1 ) r 1 · r ( n + 1 r ) n > 2 r + 1 · r ( n + 1 r ) n .
In the following, we only need to prove that 2 r + 1 · r ( n + 1 r ) n 1 . Let f ( r ) = 2 r ( n + 1 r ) ( r + 1 ) n , where 2 r n 2 . Since f ( r ) = n 4 r + 2 , then f m i n = { f ( 2 ) , f ( n 2 ) } = f ( n 2 ) = 0 . This implies that f ( r ) 0 , and therefore,
r r · ( n + 1 r ) ( r + 1 ) r 1 · n > 2 r + 1 · r ( n + 1 r ) n 1 .
Now, let us turn to prove ( n r n + 1 r ) n r > ( n 1 n ) n 1 . Let y = ( n r n + 1 r ) n r , where 2 r n 2 . Since
y = ( n r n + 1 r ) n r ( ln n r n + 1 r 1 n + 1 r ) ,
and
g ( r ) = ( ln n r n + 1 r 1 n + 1 r ) = 1 ( n + 1 r ) 2 ( n r ) > 0 ,
thus, we have
g ( r ) g ( 1 ) = ln n n 1 1 n ln 4 3 1 4 > 0 .
That is to say, y is increasing, and hence,
( n r n + 1 r ) n r > y ( 1 ) = ( n 1 n ) n 1 .
Therefore, combining the above two inequations, the lemma proof is completed. □

4. Sufficient Conditions for P n Is the Minimum Tree

In this section, sufficient conditions for P n being the minimal tree among all ln T f ( T ) are given. We present the following transformation first.
Transformation 1. Assume that T T n , and let x be the vertex in T. T 1 is the tree obtained from T by adding two pendent paths P 1 and P 2 attached at x, where P 1 = x u 1 u 2 u a , P 2 = x v 1 v 2 v b , a b 1 , and d T 1 ( x ) 3 . T 2 is the resulting graph obtained from T 1 by removing edge { x v 1 } and connecting a new edge { u a v 1 } , i.e., T 2 = T 1 { x v 1 } + { u a v 1 } . T 1 and T 2 are depicted in Figure 2. Clearly, T 1 , T 2 T n .
Lemma 5.
Let T 1 and T 2 be the graphs in Transformation 1 (see Figure 2), where a = b = 1 . If f ( x , y ) matches conditions f ( x , y ) > 0 , f x > 0 , and f 2 ( 1 , x + 2 ) f ( 2 , x + 1 ) · f ( 2 , 1 ) , then ln T f ( T 1 ) > ln T f ( T 2 ) .
Proof. 
Denote d T 1 ( x ) = k + 2 , where k 1 , and N T ( x ) = N T 1 ( x ) { u 1 , u 2 } = { w 1 , , w k } . Since a = b = 1 , then d T 1 ( u 1 ) = d T 1 ( v 1 ) = 1 . Thus, we have the following:
ln T f ( T 1 ) ln T f ( T 2 ) = 2 γ ( k + 2 , 1 ) + Σ i = 1 k γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , 2 ) + γ ( 2 , 1 ) + Σ i = 1 k γ ( k + 1 , d T ( w i ) ) = Σ i = 1 k γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , d T ( w i ) ) + 2 γ ( k + 2 , 1 ) γ ( k + 1 , 2 ) γ ( 2 , 1 ) .
Since f ( x , y ) > 0 and f x > 0 , by Lemma 1, we obtain Σ i = 1 k γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , d T ( w i ) ) > 0 . Using Lemma 2, we have
ln T f ( T 1 ) ln T f ( T 2 ) > 2 γ ( k + 2 , 1 ) γ ( k + 1 , 2 ) γ ( 2 , 1 ) 0 .
Thus, the lemma is completed. □
Lemma 6.
Let T 1 and T 2 be the graphs in Transformation 1 (see Figure 2), where a > b = 1 . If f ( x , y ) matches conditions f ( x , y ) > 0 , f x > 0 , and f ( 1 , x + 2 ) · f ( 2 , x + 2 ) f ( 2 , x + 1 ) · f ( 2 , 2 ) , then ln T f ( T 1 ) > ln T f ( T 2 ) .
Proof. 
Denote d T 1 ( x ) = k + 2 , where k 1 , and N T ( x ) = N T 1 ( x ) { u 1 , u 2 } = { w 1 , , w k } . Since a > b = 1 , then d T 1 ( u 1 ) = 2 , and d T 1 ( v 1 ) = 1 . Therefore, we have the following:
ln T f ( T 1 ) ln T f ( T 2 ) = γ ( k + 2 , 1 ) + γ ( k + 2 , 2 ) + γ ( 2 , 1 ) + Σ i = 1 k γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , 2 ) + γ ( 2 , 2 ) + γ ( 2 , 1 ) + Σ i = 1 k γ ( k + 1 , d T ( w i ) ) = Σ i = 1 k γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , d T ( w i ) ) + γ ( k + 2 , 1 ) + γ ( k + 2 , 2 ) γ ( k + 1 , 2 ) γ ( 2 , 2 ) .
According to f ( x , y ) > 0 and f x > 0 , by Lemma 1, we have Σ i = 1 k γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , d T ( w i ) ) > 0 . This, together with Lemma 2, implies that
ln T f ( T 1 ) ln T f ( T 2 ) > γ ( k + 2 , 1 ) + γ ( k + 2 , 2 ) γ ( k + 1 , 2 ) γ ( 2 , 2 ) 0 .
Hence, we finished the proof. □
Lemma 7.
Let T 1 and T 2 be the graphs in Transformation 1 (see Figure 2), where a b > 1 . If f ( x , y ) matches conditions f ( x , y ) > 0 , f x > 0 , and f 2 ( 2 , x + 2 ) · f ( 2 , 1 ) f ( 2 , x + 1 ) · f 2 ( 2 , 2 ) , then ln T f ( T 1 ) > ln T f ( T 2 ) .
Proof. 
Denote d T 1 ( x ) = k + 2 , where k 1 , and N T ( x ) = N T 1 ( x ) { u 1 , u 2 } = { w 1 , , w k } . Since a b > 1 , then d T 1 ( u 1 ) = d T 1 ( v 1 ) = 2 . Hence, we have the following:
ln T f ( T 1 ) ln T f ( T 2 ) = 2 γ ( k + 2 , 2 ) + 2 γ ( 2 , 1 ) + γ ( 2 , 1 ) + Σ i = 1 k γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , 2 ) + 2 γ ( 2 , 2 ) + γ ( 2 , 1 ) + Σ i = 1 k γ ( k + 1 , d T ( w i ) ) = Σ i = 1 k γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , d T ( w i ) ) + 2 γ ( k + 2 , 2 ) + γ ( 2 , 1 ) γ ( k + 1 , 2 ) 2 γ ( 2 , 2 ) .
By f x > 0 , and Lemma 1, we have Σ i = 1 p γ ( k + 2 , d T ( w i ) ) γ ( k + 1 , d T ( w i ) ) > 0 . Now, applying Lemma 2, we have the following:
ln T f ( T 1 ) ln T f ( T 2 ) > 2 γ ( k + 2 , 2 ) + γ ( 2 , 1 ) γ ( k + 1 , 2 ) 2 γ ( 2 , 2 ) 0 .
Thus, the proof is done. □
With the help of lemmas, we now present the core theorem.
Theorem 1.
Let T T n , assuming that f ( x , y ) satisfies the following conditions:
( 1 ) f ( x , y ) > 0 , f x > 0 ;
( 2 ) f 2 ( 1 , x + 2 ) f ( 2 , x + 1 ) · f ( 2 , 1 ) ;
( 3 ) f ( 1 , x + 2 ) · f ( 2 , x + 2 ) f ( 2 , x + 1 ) · f ( 2 , 2 ) ; and
( 4 ) f 2 ( 2 , x + 2 ) · f ( 2 , 1 ) f ( 2 , x + 1 ) · f 2 ( 2 , 2 ) ;
  • then ln T f ( T ) ln T f ( P n ) , if and only if T P n the equality holds.
Proof. 
Conditions (1)–(4) are satisfied for the results of Lemmas 5–7. If T P n , then, using Transformation 1 repeatedly, T is attained from T. Moreover, according to Lemmas 5–7, we have ln T f ( T ) > ln T f ( T ) . Therefore, ln T f ( T ) ln T f ( P n ) , where T is isomorphic to P n , the equality holds. Thus, the proof is completed. □

5. Sufficient Conditions for S n Being Extremal Trees

In Section 4, we present sufficient conditions for S n being the extremal trees among all ln T f ( T ) . We introduce Transformation 2 first.
Transformation 2. Let T T n , { w v , u v } E ( T ) , where d T ( w ) d T ( u ) 2 . Let N 3 = N ( w ) { v } , N 2 = N ( v ) { u , w } , and N 1 = N ( u ) { v } . In T, replacing the edge { w w i } with { u w i } at each vertex w i N 3 , we then obtain a new tree T ; see Figure 3. Clearly, T T n .
With the help of Transformation 2, we first give sufficient conditions for the star S n is the maximal tree among all ln T f ( T ) .
Lemma 8.
Let T and T be the graphs in Transformation 2 (see Figure 3). If f ( x , y ) = g ( x ) h ( y ) is a real symmetric function with x , y 1 , and meets the condition g ( r + 1 ) r + 1 · g ( s + 1 ) s + 1 < g ( 1 ) · g ( r + s + 1 ) r + s + 1 , then ln T f ( T ) < ln T f ( T ) .
Proof. 
For convenience, suppose that N 3 = { w 1 , w 2 , , w r } and N 1 = { u 1 , u 2 , , u s } , where r s . Thus, we have d T ( w ) = r + 1 , d T ( u ) = s + 1 , and:
ln T f ( T ) ln T f ( T ) = Σ i = 1 r γ ( r + 1 , d T ( w i ) ) γ ( r + s + 1 , d T ( w i ) ) + Σ i = 1 s ( γ ( s + 1 , d T ( u i ) ) γ ( r + s + 1 , d T ( u i ) ) ) + γ ( r + 1 , d T ( v ) ) + γ ( s + 1 , d T ( v ) ) γ ( 1 , d T ( v ) ) γ ( r + s + 1 , d T ( v ) ) = ln i = 1 r f ( r + 1 , d T ( w i ) ) f ( r + 1 + s , d T ( w i ) ) i = 1 s f ( s + 1 , d T ( u i ) ) f ( r + s + 1 , d T ( u i ) ) f ( r + 1 , d T ( v ) ) · f ( s + 1 , d T ( v ) ) f ( 1 , d T ( v ) ) · f ( r + s + 1 , d T ( v ) ) .
Since the same expressions d T ( w i ) , d T ( u i ) , and d T ( v ) are included in the above equation, therefore, under the condition f ( x , y ) = g ( x ) h ( y ) , the above equation simplified as follows:
ln T f ( T ) ln T f ( T ) = ln i = 1 r g ( r + 1 ) g ( r + s + 1 ) · i = 1 s g ( s + 1 ) g ( r + s + 1 ) · g ( r + 1 ) · g ( s + 1 ) g ( 1 ) · g ( r + s + 1 ) = ln g ( r + 1 ) r + 1 · g ( s + 1 ) s + 1 g ( 1 ) · g ( r + s + 1 ) r + s + 1 .
Furthermore, by Lemma 2, we can easily obtain ln T f ( T ) ln T f ( T ) < 0 . Hence, the lemma has been proven. □
Theorem 2.
Let T T n . If f ( x , y ) = g ( x ) h ( y ) for any x , y 1 , and g ( x ) meets the condition g ( r + 1 ) r + 1 · g ( s + 1 ) s + 1 < g ( 1 ) · g ( r + s + 1 ) r + s + 1 , and then the star S n is the maximal tree among all ln T f ( T ) .
Proof. 
Let T be a tree with n vertices, | p ( T ) | represents the sum of pendent vertices. If | p ( T ) | = n 2 or n 1 , then T can only be the double star S r , n r or star S n , where 2 r n 2 . Thus, assume that | p ( T ) | n 3 for the rest of the proof.
Assume that T 0 is a new tree obtained by removing all pendent vertices from T. Then, we have | V ( T 0 ) | = n | p ( T ) | n ( n 3 ) = 3 . Moreover, the degree of v V ( T 0 ) is greater than or equal 2. Let us consider two edges; suppose that { u v } and { v w } , such that { u v , v w } E ( T ) . Without loss of generality, let d T ( u ) d T ( v ) . Note that d T ( u ) 2 , and d T ( w ) 2 . By Transformation 2, a new tree T is generated from T, while satisfying | p ( T ) | | p ( T ) | = 1 . According to Lemma 8, ln T f ( T ) < ln T f ( T ) .
If | p ( T ) | is not equal to n 2 , then using Transformation 2 again for T , we can finally obtain the double star S r , n r . Therefore, applying Lemma 8, we have ln T f ( T ) < ln T f ( T ) .
Hence, to complete the proof, it is just needed to prove that ln T f ( S r , n r ) < ln T f ( S n ) . Note that
ln T f ( S r , n r ) = ( r 1 ) ln f ( 1 , r ) + ( n 1 r ) ln f ( 1 , n r ) + ln f ( r , n r ) = ln f ( 1 , r ) r 1 · f ( 1 , n r ) n 1 r · f ( r , n r ) . ln T f ( S n ) = ( n 1 ) ln f ( 1 , n 1 ) = ln f ( 1 , n 1 ) n 1 .
Thus,
ln T f ( S r , n r ) ln T f ( S n ) = ln f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) ln f ( 1 , n 1 ) n 1 = ln f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) f ( 1 , n 1 ) n 1 .
By substituting the condition into above equation, we can obtain the following:
ln T f ( S r , n r ) ln T f ( S n ) = ln g ( 1 ) n 2 · g ( r ) r 1 · g ( n r ) n r 1 · g ( r ) · g ( n r ) g ( 1 ) n 1 · g ( n 1 ) n 1 = ln g ( r ) r · g ( n r ) n r g ( 1 ) · g ( n 1 ) n 1 < ln 1 = 0 .
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 S n being the minimal tree of ln T f .
Lemma 9.
Assuming that T and T are trees in Transformation 2 (see Figure 3), if f ( x , y ) meets the conditions f ( x , y ) > 0 , f x < 0 , and 2 f x 2 · f ( f x ) 2 < 0 , then ln T f ( T ) > ln T f ( T ) .
Proof. 
Denote N 3 = { w 1 , w 2 , , w r } and N 1 = { u 1 , u 2 , , u s } , where r s . Similar to Lemma 8, we have d T ( w ) = r + 1 , d T ( u ) = s + 1 , and
ln T f ( T ) ln T f ( T ) = Σ i = 1 r γ ( r + 1 , d T ( w i ) ) γ ( r + s + 1 , d T ( w i ) ) + Σ j = 1 s γ ( s + 1 , d T ( u j ) ) γ ( r + s + 1 , d T ( u j ) ) + γ ( r + 1 , d T ( v ) ) + γ ( s + 1 , d T ( v ) ) γ ( 1 , d T ( v ) ) γ ( r + s + 1 , d T ( v ) ) .
By Lemma 1, γ ( x , y ) is decreasing on x. Then, for i = 1 , 2 , , r ,
γ ( r + 1 , d T ( w i ) ) γ ( r + s + 1 , d T ( w i ) ) > 0 ,
and for j = 1 , 2 , , s ,
γ ( s + 1 , d T ( u j ) ) γ ( r + s + 1 , d T ( u j ) ) > 0 .
Since
2 γ ( x , y ) x 2 = ( f ( x , y ) f ( x , y ) ) x = 2 f x 2 · f ( f x ) 2 f 2 < 0 ,
thus, γ ( x , y ) is concave down on x. Hence,
γ ( r + 1 , d T ( v ) ) + γ ( s + 1 , d T ( v ) ) γ ( 1 , d T ( v ) ) + γ ( r + s + 1 , d T ( v ) ) .
Combining the above two equations, the lemma holds true. □
Theorem 3.
Let T T n . If f ( x , y ) meet the following conditions:
(1) f ( x , y ) > 0 , f x < 0 , 2 f x 2 · f ( f x ) 2 < 0 , and
(2) f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) > f ( 1 , n 1 ) n 1 ,
  • then, the star S n is the minimal tree of ln T f ( T ) .
Proof. 
First, we will prove the minimal tree of ln T f ( T ) is S d , n d or S n . Let | p ( T ) | represent the sum of pendent vertices in T. If | p ( T ) | = n 2 or n 1 , then T can only be the double star S r , n r or star S n , where 2 r n 2 . Thus, we assume that | p ( T ) | n 3 for the rest of the proof.
Assuming that T 0 is a new tree obtained by removing all pendent vertices from T, we have | V ( T 0 ) | = n | p ( T ) | 3 , and d T ( v ) 2 for any v V ( T 0 ) . Now, consider two edges, and suppose that { u v } and { v w } , such that { u v , v w } E ( T ) . Without loss of generality, let d T ( u ) d T ( v ) . By Transformation 2, a new tree T is generated from T, such that | p ( T ) | | p ( T ) | = 1 . According to Lemma 9, we have ln T f ( T ) < ln T f ( T ) .
If | p ( T ) | is not equal to n 2 , then using Transformation 2 again for T , we can finally obtain the double star S r , n r . Therefore, according to Lemma 9, ln T f ( T ) < ln T f ( T ) .
Second, we will prove that ln T f ( S n ) < ln T f ( S r , n r ) . Note that
ln T f ( S r , n r ) = ( r 1 ) ln f ( 1 , r ) + ( n r 1 ) ln f ( 1 , n r ) + ln f ( r , n r ) = ln f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) . ln T f ( S n ) = ( n 1 ) ln f ( 1 , n 1 ) = ln f ( 1 , n 1 ) n 1 .
By the condition f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) > f ( 1 , n 1 ) n 1 , we obtain the following:
ln T f ( S r , n r ) ln T f ( S n ) = ln f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) ln f ( 1 , n 1 ) n 1 = ln f ( 1 , r ) r 1 · f ( 1 , n r ) n r 1 · f ( r , n r ) f ( 1 , n 1 ) n 1 > ln 1 = 0 .
Therefore, the theorem holds true. □

6. Applications

Note that if f ( x , y ) = ( x y ) , ( x y ) α ( α 1 ) , x 2 + y 2 , x 2 + y 2 , ( x 1 ) 2 + ( y 1 ) 2 , ( x + y ) α ( α 1 ) , x + y + x y , ( x + y + x y ) 2 , ( x + y ) x y , ( x + y + x y ) 2 , and ( x + y ) x y , then the conditions of Theorem 1 are matched. Thus, as an application of Theorem 1, we declare that the minimal tree is P n for the logarithmic VDB indices labeled in Table 3.
Likewise, if f ( x , y ) = ( x y ) , or ( x y ) α ( α 1 ) , by Lemma 3, the conditions of Theorem 2 are established. Thus, according to Theorem 2, the maximal tree is S n for the logarithmic reciprocal Randič index and general second Zagreb index. Similarly, if f ( x , y ) = x y x + y , by Lemma 4, the conditions of Theorem 3 are established. Therefore, by applying Theorem 3, the minimal tree is S n 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 ln T f and investigating the minimal and maximal trees for ln T f ( T ) . 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 ln T f is interesting.
However, due to the fact that logarithmic functions do not have good monotonicity and convexity, the study of ln T f has become very complex, to the extent that in Table 3, we only determined maximal values of ln T f ( T ) for f ( x , y ) = ( x y ) , and ( x y ) α ( α 1 ) . Therefore, the study of the logarithmic VDB index is an interesting but difficult task that requires further resolution.

Author Contributions

Both authors (Z.S., H.D.) contributed equally to the manuscript. All authors have read and agreed to the published version of the manuscript.

Funding

This research is supported by the Department of Education of Hunan Province (no. 22B0763).

Data Availability Statement

No underlying data were collected or produced in this study.

Acknowledgments

The authors would like to thank the anonymous reviewers for their helpful comments.

Conflicts of Interest

The authors declare no conflicts of interest.

References

  1. Devillers, J.; Balaban, A.T. (Eds.) Topological Indices and Related Descriptors in QSAR and QSPR; Gordon & Breach: Amsterdam, The Netherlands, 1999. [Google Scholar]
  2. Todeschini, R.; Consonni, V. Handbook of Molecular Descriptors; Wiley-VCH: Weinheim, Germany, 2000. [Google Scholar]
  3. Todeschini, R.; Consonni, V. Molecular Descriptors for Chemoinformatics; Wiley-VCH: Weinheim, Germany, 2009. [Google Scholar]
  4. Furtula, B.; Gutman, I.; Dehmer, M. On structure-sensitivity of degree-based topological indices. Appl. Math. Comput. 2013, 219, 8973–8978. [Google Scholar] [CrossRef]
  5. Zhou, B.; Trinajstič, N. On a novel connectivity index. J. Math. Chem. 2009, 46, 1252–1270. [Google Scholar] [CrossRef]
  6. Chen, M.; Zhu, Y. Extremal unicyclic graphs of Sombor index. Appl. Math. Comput. 2024, 463, 128374. [Google Scholar] [CrossRef]
  7. Gutman, I.; Tošović, J. Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices. J. Serb. Chem. Soc. 2013, 78, 805–810. [Google Scholar] [CrossRef]
  8. Gutman, I. Geometric approach to degree-based topological indices: Sombor indices. Commun. Math. Comput. Chem. 2021, 86, 11–16. [Google Scholar]
  9. Gutman, I.; Furtula, B.; Elphick, C. Three new/old vertex-degree-based topological indices. Commun. Math. Comput. Chem. 2014, 72, 617–632. [Google Scholar]
  10. Das, K.C.; Gutman, I. Some properties of the second Zagreb index. Commun. Math. Comput. Chem. 2004, 52, 103–112. [Google Scholar]
  11. Rada, J. Exponential vertex-degree-based topological indices and discrimination. Commun. Math. Comput. Chem. 2019, 82, 29–41. [Google Scholar]
  12. Cruz, R.; Rada, J. The path and the star as extremal values of vertex-degree-based topological indices among trees. Commun. Math. Comput. Chem. 2019, 82, 715–732. [Google Scholar]
  13. Gao, W. Trees with maximum vertex-degree-based topological indices. Commun. Math. Comput. Chem. 2022, 88, 535–552. [Google Scholar] [CrossRef]
  14. Gao, W. Chemical trees with maximal VDB topological indices. Commun. Math. Comput. Chem. 2023, 89, 699–722. [Google Scholar] [CrossRef]
  15. Gao, W.; Gao, Y. The extremal trees for exponential vertex-degree-based topological indices. Appl. Math. Comput. 2024, 472, 128634. [Google Scholar] [CrossRef]
  16. Das, K.C.; Elumalai, S.; Balachandran, S. Open problems on the exponential vertex-degree-based topological indices of graphs. Discrete Appl. Math. 2021, 293, 38–49. [Google Scholar] [CrossRef]
  17. Cruz, R.; Monsalve, J.; Rada, J. The balanced double star has maximum exponential second Zagreb index. J. Comb. Optim. 2021, 41, 544–552. [Google Scholar] [CrossRef]
  18. Liu, H.; You, L.; Tang, Z.; Liu, J. On the reduced Sombor index and its applications. Commun. Math. Comput. Chem. 2021, 86, 729–753. [Google Scholar]
  19. Liu, H. Extremal (m,n)-graph with respect to VDB topological indices. Open J. Discret. Appl. Math. 2023, 61, 16–20. [Google Scholar]
Figure 1. Two non-isomorphic trees T and T .
Figure 1. Two non-isomorphic trees T and T .
Axioms 13 00632 g001
Figure 2. Trees T 1 and T 2 in Transformation 1.
Figure 2. Trees T 1 and T 2 in Transformation 1.
Axioms 13 00632 g002
Figure 3. T and T in Transformation 2.
Figure 3. T and T in Transformation 2.
Axioms 13 00632 g003
Table 1. A list of acronyms and symbols.
Table 1. A list of acronyms and symbols.
SymbolExplanation
d ( x ) Degree of vertex x
N ( x ) Neighbors of vertex x
P n Path with order n
S n Star with order n
S r , n r Double star with two centers
T n Set of trees with order n
T f VDB (vertex-degree-based) index
e T f The exponential of a VDB index
ln T f The logarithm of a VDB index
f ( x , y ) A real symmetric function
β ( x , y ) = e f ( x , y )
γ ( x , y ) = ln f ( x , y )
f x Partial derivative
2 f x 2 Second partial derivative
Table 2. The values of three types of Randič indices for trees T and T .
Table 2. The values of three types of Randič indices for trees T and T .
IndicesT T
The general VDB index of χ 36 + 2 2 2 2 36 + 2 2 2 2
The exponential VDB index of e χ 46.5646.36
The logarithmic VDB index of ln χ −22.18−21.49
Table 3. Extremal trees of ln T f .
Table 3. Extremal trees of ln T f .
Indices f ( x , y ) MinMax
Inverse sum index x y x + y S n
Reciprocal Randič index ( x y ) P n S n
General second Zagreb index ( x y ) α ( α 1 ) P n S n
Forgotten index x 2 + y 2 P n
Sombor index x 2 + y 2 P n
Reduced Sombor index ( x 1 ) 2 + ( y 1 ) 2 P n
General first Zagreb index ( x + y ) α ( α 1 ) P n
First Gourava index x + y + x y P n
First hyper-Gourava index ( x + y + x y ) 2 P n
Second Gourava index ( x + y ) x y P n
Second hyper-Gourava index ( ( x + y ) x y ) 2 P n
Product-connectivity Gourava index ( x + y ) x y P n
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Su, Z.; Deng, H. Extremal Trees for Logarithmic VDB Topological Indices. Axioms 2024, 13, 632. https://doi.org/10.3390/axioms13090632

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Su, Zhenhua, and Hanyuan Deng. 2024. "Extremal Trees for Logarithmic VDB Topological Indices" Axioms 13, no. 9: 632. https://doi.org/10.3390/axioms13090632

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Su, Z., & Deng, H. (2024). Extremal Trees for Logarithmic VDB Topological Indices. Axioms, 13(9), 632. https://doi.org/10.3390/axioms13090632

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