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11 October 2025

Topology and Algebra of Bonded Knots and Braids

,
and
1
Department of Data Analytics and Digitalisation, School of Business and Economics, Maastricht University, P.O. Box 616, 6200 MD Maastricht, The Netherlands
2
Department of Mathematics, Statistics and Computer Science University of Illinois at Chicago, 851 South Morgan Street, Chicago, IL 60607-7045, USA
3
International Institute for Sustainability with Knotted Chiral Meta Matter (WPI-SKCM2), Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8526, Japan
4
School of Applied Mathematical and Physical Sciences, National Technical University of Athens, Zografou Campus, GR-15780 Athens, Greece
This article belongs to the Section B: Geometry and Topology

Abstract

In this paper we present a detailed study of bonded knots and their related structures, integrating recent developments into a single framework. Bonded knots are classical knots endowed with embedded bonding arcs modeling physical or chemical bonds. We consider bonded knots in three categories (long, standard, and tight) according to the type of bonds, and in two categories, topological vertex and rigid vertex, according to the allowed isotopy moves, and we define invariants for each category. We then develop the theory of bonded braids, the algebraic counterpart of bonded knots. We define the bonded braid monoid, with its generators and relations, and formulate the analogues of the Alexander and Markov theorems for bonded braids in the form of L-equivalence for bonded braids. Next, we introduce enhanced bonded knots and braids, incorporating two types of bonds (attracting and repelling) corresponding to different interactions. We define the enhanced bonded braid group and show how the bonded braid monoid embeds into this group. These models capture the topology of chains with inter and intra-chain bonds and suggest new invariants for classifying biological macromolecules.

1. Introduction

In this paper, we develop the theory of bonded knots and bonded braids. For illustrations of these objects see Figure 1. These structures reflect different physical situations which can occur in applications, such as protein folding and molecular biology. We consider three types of bonds: long bonds which can be knotted or linked and are not local, standard bonds which are in the form of straight segments and do not cross between themselves, and tight bonds which occur locally and are nearly equivalent to graphical nodes in the mathematical formalism. We also discuss two kinds of isotopy for the three categories of bonded knots and links, long, standard, and tight, which reflect different physical assumptions about the flexibility of bonds: topological vertex isotopy, whereby the nodes of the bonds can move freely, and rigid vertex isotopy, whereby the nodes of the bonds move along with rigid 3-balls in which they are embedded.
Figure 1. On the left: a bonded link. On the right: a bonded braid and its closure.
Mathematically, a bond is an embedded arc whose endpoints lie on (distinct or possibly the same) components of the link diagram. It is a theme of this paper to compare long bonds, standard bonds, and tight bonds in the topological and rigid categories. We present the set of allowed moves for each category and highlight forbidden moves that distinguish bonded links from related concepts like tied links. We also recall and extend invariants for bonded knots: notably, the unplugging technique for the topological vertex category, the tangle insertion for the rigid vertex category, and a Kauffman bracket type polynomial (the bonded bracket) that is invariant under regular isotopy of rigid vertex bonded links. See [1,2].
Continuing this theme we introduce and study bonded braids as the algebraic counterpart of bonded links. We establish the bonded braid monoid, we point out its relation to the singular braid monoid [3], and we extend it to the bonded braid group. We further establish the interaction between oriented topological bonded links and bonded braids by means of a closure operation, a bonded braiding algorithm (bonded analogue of the classical Alexander theorem) and bonded L-move equivalences as bonded analogues of the classical Markov theorem. The classical Alexander and Markov theorems [4,5] relate knots and links to braids and the Artin braid groups, and translate their isotopy to an algebraic equivalence among braids. So, the algebraic structure of braids together with the two theorems above furnish the necessary basis for encoding knotted objects by words in braid generators and for the potential construction of knot invariants using algebraic tools. A great paradigm of this approach is the breakthrough work of V.F.R. Jones in the construction of the Jones polynomial (see [6] and references therein), the ambient isotopy equivalent to the Kauffman bracket polynomial. The L-move formulation [7] of the Markov theorem provides a geometric as well as algebraic approach to the classical braid equivalence.
Knotted structures in proteins and other biomolecules are now well documented, though only a small fraction of known proteins are knotted. While classical knot theory uses closed loops, knotoids and related braidoid formalisms allow one to study open curves without ad hoc closure. See [8,9] for the beginnings for knotoids and [10] for related braidoid formalisms. Knotoids have been applied to the topological analysis of proteins [11]. We recall these for context. Real biomolecules also possess intra-chain contacts—disulfide bridges, hydrogen bonds, salt bridges—that impose topological constraints (loops and lassos) even when the backbone is open. We refer the reader to [12,13,14,15] and references therein. To encode such interactions, bonded models have been adopted. The notion of bonded knotoid was introduced in [16] and applied to the study of proteins, and more recently bonded knots with distinguishable bonds were introduced in [17] for modeling different types of interactions. In these models, these bonds represent physical connections that are not part of the covalently linked backbone. For example, a disulfide bond in a protein can be modeled as a bond connecting two cysteine points on the chain [14,15]. See also [18]. The incorporation of bonds into knot diagrams gives rise to a rich extension of knot theory, with new moves and new invariants. A number of recent papers have studied invariants of bonded links and knotoids, with applications to protein structure classification, providing a novel way to distinguish different folding patterns of proteins; see for example [2,15,16,17,18].
In this paper we focus exclusively on bonded knots and bonded braids. Our motivation for exploring the diagrammatic settings and equivalences of bonded knots comes mainly from the remarkable applications so far and their interest as mathematical objects. Then, a new diagrammatic setting leads naturally to the fundamental questions about the existence of related braid structures. The algebraic structure of bonded braids can be used for encoding the objects that they model with words in the generators, after applying a braiding algorithm for turning them isotopically into closed bonded braids. Topological vertex isotopy translates into a bonded braid equivalence generated by moves between bonded braids. One can exploit algebraic tools for constructing topological invariants in order to distinguish our topological objects. The L-moves generating the classical braid equivalence are fundamental in that they provide an adaptive frame for formulating braid equivalences in other diagrammatic settings. For ensuring a sufficient set of moves for generating a braid equivalence one has to examine all algorithmic choices and moves in the diagrammatic setting, and finding all of them can be very subtle. See for example [7,19,20] for different diagrammatic settings. This is also the case here for pinning down the bonded L-moves, which augment the classical L-moves in generating the bonded braid equivalence. The definition and study of bonded braids and their relation to bonded links form the core of this work.
In regard to interdisciplinary connections, we note that the interaction lines in Feynman diagrams have the formal structure of bonds in our sense. Thus a Feynman diagram can be regarded as a bonded graph (possibly with a knotted embedding in three-space). In fact, just such ideas are behind Kreimer’s work in the book Knots and Feynman Diagrams [21] where the bonds in the Feynman diagrams undergo tangle insertion (in our sense) and are thereby associated with specific knots and links. Kreimer suggests that the topological types of these knots and links associated with the diagrams are significantly related to the physical evaluations of the diagrams.
In another direction, we note that current suggestions about knotted glueballs (closed loops of gluon flux related to the structure of protons) can be seen in our context as knotted structures consisting entirely of bonds. The strings of gluon field form highly attracting bonds between quarks in this model [22,23]. Finally, we point out that there is ongoing research in the interface of molecular biology and the construction of molecules with specified polyhedral shapes [24]. This research also involves bonds to which our modeling applies.
The paper is structured as follows. In Section 2, we develop the notion of long bonded links and we establish the allowed isotopy moves in both topological and rigid vertex categories. In Section 3, we introduce standard bonded links, namely, long bonded links with unknotted and unlinked bonds, and we establish that any long bonded link can be isotoped into standard form. We also give a full set of isotopy moves for standard bonded links in both topological and rigid vertex categories. We also identify some forbidden moves due to bonds. In Section 4, we introduce a stricter category of bonded links, called tight bonded links. Tight bonded links are standard bonded links whose bonds do not interact with link arcs. We also present a set of isotopy moves for this setting.
In Section 5, we construct invariants of long, standard, and tight bonded links via the unplugging operation for the topological category and the tangle insertion technique for the rigid vertex category. Furthermore, we extend the bracket polynomial for rigid tight bonded links. We note that all three categories of bonded links (long, standard, tight) and both isotopy types (topological and rigid vertex) extend naturally to bonded knotoids, providing a consistent framework at the level of open curves.
In Section 6, we turn to the algebraic counterpart of bonded links: bonded braids. We define bonded braids as braids with bonds connecting strands, and we introduce the bonded braid monoid  B B n on n strands, giving a complete presentation by generators and relations and two reduced ones. Moreover, we establish its isomorphism to the singular braid monoid. In Section 7, we prove an analogue of the Alexander theorem in the topological bonded setting: every topological bonded link can be obtained as the closure of a bonded braid.
In Section 8, we prove bonded braid equivalence theorems, showing that two bonded braids have topologically equivalent closures if and only if they are related by certain moves adapted to bonds and (tight) bonded braid isotopy. We begin with the adaptation of classical L-moves to (tight) bonded braids, which we further extend to the more subtle (tight) bonded L-moves. These moves provide a more fundamental understanding of how bonded isotopies translate into more algebraic moves analogous to the classical Markov theorem.
In Section 9, we introduce enhanced bonded links and braids. An enhanced bond comes in two types, representing, for example, an attractive vs. a repelling interaction. Mathematically, an attracting bond and a repelling bond may be thought of as mutual inverses. We show how allowing two bond types effectively turns the bonded braid monoid into a bonded braid group, and we define this enhanced bonded braid group E B n with its extended generator set. The analogue of the Alexander theorem and the L-move approach to the Markov theorem are established for the enhanced setting as well.
We conclude with a discussion of further directions, including the further algebraic exploration of the bonded braid equivalences, the extension of the study to the plat closure of bonded braids, the formulation of a bonded Morse category and the extension of the braidoid–knotoid interaction to the bonded and enhanced bonded settings, which we plan to develop in future works.

6. Bonded Braids

In this section we develop the theory of bonded braids, an algebraic framework that extends classical braids by including bonds. Note that we restrict our attention to the standard and tight categories of bonded links, undergoing topological vertex isotopy. Combined with the braiding result of the next section, this algebraic structure could be used in encoding the topological structures of bonded links and of objects that they model.
We recall that a geometric braid on n strands is a homeomorphic image of n arcs in the interior of [ 0 , 1 ] × [ 0 , ϵ ] × [ 0 , 1 ] , ϵ > 0 , such that it is monotonous, that is, there are no local maxima or minima, and the boundary of the image consists in n numbered points in [ 0 , 1 ] × [ 0 , ϵ ] × { 0 } and n corresponding numbered points in [ 0 , 1 ] × [ 0 , ϵ ] × { 1 } . We study braids through their diagrams in the plane [ 0 , 1 ] × { 0 } × [ 0 , 1 ] , which are also called braids. Formally, a braid is described by its braid word in the braid group B n , which has generators σ 1 , σ 2 , , σ n 1 and relations:
σ i σ k = σ k σ i | i k | > 1 , σ i σ i + 1 σ i = σ i + 1 σ i σ i + 1 i = 1 , , n 2
The relationship between knots and braids is established through the Alexander theorem [4], which states that every oriented knot or link can be represented isotopically as the closure of some braid. The (standard) closure of a geometric braid comprises in joining with simple arcs the corresponding endpoints, and it gives rise to an oriented knot or link. Figure 43 illustrates an example of a braid on the left and its closure on the right. The braid on the left is represented by the braid word σ 2 σ 1 1 σ 2 1 σ 1 σ 2 1 , where the generators σ i and their inverses correspond to single crossings of adjacent strands.
Figure 43. A braid and its closure.

6.1. Bonded Braid Definition

In this subsection, we introduce the notion of bonded braids, which are classical braids equipped with bonds. Bonded braids extend the classical braid framework and provide an algebraic structure for studying bonded links. To establish this correspondence, we define bonded braid isotopy, which preserves the bond structure under standard braid moves. Using this framework, we prove an analogue of the Alexander theorem for bonded links.
We begin with the formal definition of bonded braids and their isotopy before presenting the braiding algorithm and proof of the Alexander theorem.
Definition 9.
A bonded braid on n strands is a pair ( β , B ) of a classical braid β on n strands, and a set of k disjoint, embedded horizontal simple arcs, called bonds. The boundary points of a bond, called nodes, cannot coincide with endpoints of the braid or with other nodes, and they have local neighborhoods that are three-valent graphs with the attaching arcs, like, forming together an H-neighborhood, as depicted in Figure 22. A bond joining the i t h and j t h strands with i < j is denoted b i , j and it threads transversely through the strands in between. By abuse of notation, we denote by b i , j a bond joining the i t h and j t h strands with any sequence of overpasses or underpasses. A bond b i , i + 1 joining two consecutive strands i and i + 1 shall be called elementary bond, and will be denoted by b i . If B = , then ( b , ) is just a classical braid. Moreover, a bonded braid diagram (also referred to as bonded braid) is a regular projection of a bonded braid in the plane [ 0 , 1 ] × { 0 } × [ 0 , 1 ] with over/under information at every crossing, and such that no crossing is horizontally aligned with a bond. So, b i , j can be encoded unambiguously by a sequence of j i + 1 o’s and u’s indicating the types of crossings formed between the bond and any strand in between. For an example, see left-hand side illustration of Figure 44. A configuration of a bond which passes either over or under all its intermediate strands, such that all crossings are marked ‘over’/‘under’, is a uniform over/under.
Figure 44. A bonded braid and its closure.
The standard closure operation for bonded braids gives rise to bonded links (see Figure 44).

6.2. Bonded Braid Isotopy

To define bonded braid isotopy, we extend the classical braid isotopy by introducing additional moves that account for the presence of bonds. These moves reflect the topological nature of bonds and their interactions with each other and with crossings and other strands in the braid. The first such move is bonded planar isotopy, induced by the bonded braided Δ-moves illustrated in Figure 45, where the downward orientation of the strands is preserved.
Figure 45. A bonded braid planar isotopy move.
The interaction between two bonds depends on their relative positions and the sequence of crossings they form with the strands in between. More precisely:
  • If two bonds b i , j and b k , l are sufficiently far apart so that their threading paths do not overlap or interact, that is j < k , they commute freely. For an example see Figure 46.
    Figure 46. Interactions between two distant bonds.
  • Two bonds b i , j and b k , l also commute if i < k < l < j and b i , j is a uniform over/under, that is, it passes either over or under all its intermediate strands, which include the set of intermediate strands of b k , l . In this case, the configuration of the sequence of u’s and o’s of the bond b k , l does not matter. For an example, see Figure 47.
    Figure 47. Interactions between two bonds: uniform over configurations.
  • Furthermore, the two bonds b i , j and b k , l commute if i < k < l < j , the sequence of crossings of b k , l coincides with a subsequence of the sequence of crossings of b i , j for the strands k , l and the markings in the bigger sequence before and after the subsequence agree, i.e., they are both ‘over’ or both ‘under’. For example, if b k , l forms the sequence ( o , o , u , o ) with its intermediate strands, the bond b i , j must contain either the subsequence [ o , ( o , o , u , o ) , o ] or the subsequence [ u , ( o , o , u , o ) , u ] for the bonds to commute. We call this configuration the matching crossing sequences. For an illustration see Figure 48.
    Figure 48. Interactions between two bonds: matching crossing sequences.
Any interaction between a bond and an arc is a result of the braided vertex slide moves exemplified in Figure 49.
Figure 49. Braided vertex slide moves.
An interaction between a bond and a crossing depends on the relative positions of the bond and the strands forming the crossing. More precisely,
  • If the strands i , i + 1 forming the crossing σ i do not interact with the bond b k , l , i.e., k > i + 1 or l < i , then the bond and the crossing commute freely (see Figure 50 for an example).
  • If the nodes of the bond lie on two strands that form a crossing, the bond and the crossing commute, i.e., b i commutes with σ i (see Figure 51). This is the bonded flype move.
  • A bond b k , l and a crossing σ i commute if the bond passes entirely over or entirely under both strands that form the crossing. We call this configuration, the uniform position of the bond. For an illustration of this case, see the left-hand side of Figure 52.
  • A bond and a crossing also commute if the over-strand of the crossing lies above the bond and the under-strand lies below it. In this case, the bond effectively ‘threads through’ the crossing without disrupting its configuration. We refer to this move as the bonded R3 move. For an illustration of this case, see the right-hand side of Figure 52.
  • Figure 53 and Figure 54 illustrate the cases where one node of the bond lies on a strand, resp. on two stands, that crosses (resp. cross) another strand. In the instance of Figure 54, there may be other strands threading through the bond, as long as they all lie under the overcrossing strand.
Figure 50. A crossing commuting with a bond.
Figure 50. A crossing commuting with a bond.
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Figure 51. A crossing between strands that contain the nodes of a bond.
Figure 51. A crossing between strands that contain the nodes of a bond.
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Figure 52. A bond passing over a crossing and a bonded R3 move.
Figure 52. A bond passing over a crossing and a bonded R3 move.
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Figure 53. Interactions between a crossing and a bond with one node on a strand of the crossing.
Figure 53. Interactions between a crossing and a bond with one node on a strand of the crossing.
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Figure 54. A braid strand passing over a bond.
Figure 54. A braid strand passing over a bond.
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Lemma 1.
A move between a crossing and a bond with one node on a strand of the crossing follows from a move where a braid strand passes over or under a bond, together with the other moves, and vice versa.
Proof. 
The proof of the Lemma is adequately described in Figure 55. □
Figure 55. The proof of Lemma 1.
Finally, in Figure 56, we illustrate some examples of configurations that are not allowed under bonded braid equivalence.
Figure 56. Examples of moves that are not allowed in bonded braid equivalence. These configurations violate the topological constraints of the bonded braid model.
The additional moves depicted in Figure 47, Figure 48 and Figure 52 are essential to define bonded braid equivalence. These moves account for the interactions specific to bonds, ensuring that the topological properties of the bonded braid are preserved. Using these moves, we extend classical braid isotopy to include bonded braid isotopy, leading to the following formal definition.
Definition 10.
Two bonded braids are isotopic if and only if they differ by classical braid isotopy that takes place away from the bonds, together with moves depicted in Figure 47, Figure 48, Figure 49, Figure 50, Figure 51 and Figure 52. An equivalence class of isotopic bonded braid diagrams is called a bonded braid.

6.3. The Bonded Braid Monoid

Let now B B n be the set of bonded braids on n-strands. In B B n we define as operation the usual concatenation of classical braids. Then, the set of bonded braids forms a monoid, called the bonded braid monoid. We denote by b i , j any bond whose nodes lie on the i t h and j t h strand of the braid, and by b i we denote the bond b i , i + 1 whose nodes lie on the i t h and ( i + 1 ) t h strands, which we shall call elementary bond, in contrast to the long bonds b i , j for i j . We are now ready to give a presentation of B B n .
Theorem 5.
The set B B n of bonded braids on n strands forms a monoid under braid concatenation. The bonded braid monoid has a presentation with generators:
σ 1 , , σ n 1 ( classical braid generators ) and b i , j ( 1 i < j n ) ( bonds ) ,
subject to the following relations:
-
The classical braid relations among the σ i ’s,
-
The relations illustrated in Figure 46, Figure 47, Figure 48, Figure 49, Figure 50, Figure 51, Figure 52, Figure 53 and Figure 54 (including all their variants), describing all possible interactions of bonds among themselves and with arcs or crossings.
Proof. 
The proof of the Theorem is an immediate consequence of the exhaustive listing above of all possible interactions of bonds among themselves as well as with other arcs or crossings in the bonded braid. □
We further have the following:
Lemma 2.
A standard bond is a word of the classical braid generators and an elementary bond.
Proof. 
Figure 57 illustrates a bonded braid isotopy for contracting the bond or equivalently for pulling to the side strands crossing over or under the bond, using braided vertex slide moves (recall Figure 49). □
Figure 57. The bond b i , j expressed as a combination of classical braid generators and an elementary bond.
Using now Lemma 2 and standard Tietze transformations on the presentation of B B n of Theorem 5, one can obtain a reduced presentation for B B n that uses only the classical braid generators σ i and the elementary bonds b i . Namely, we have the following:
Theorem 6.
The bonded braid monoid, B B n , on n strands admits the following reduced presentation: it is generated by the classical braid generators and their inverses σ 1 ± 1 , , σ n 1 ± 1 and the elementary bonds b 1 , , b n 1 , subject to the relations:
σ i σ j = σ j σ i for | i j | > 1 , σ i σ i + 1 σ i = σ i + 1 σ i σ i + 1 for all i , b i b j = b j b i for | i j | > 1 , b i σ j ± 1 = σ j ± 1 b i for | i j | > 1 , b i σ i ± 1 = σ i ± 1 b i for all i , b i σ i + 1 σ i = σ i + 1 σ i b i + 1 for all i , σ i σ i + 1 b i = b i + 1 σ i σ i + 1 for all i .
When considering B B n with its reduced presentation, we shall refer to it as the tight bonded braid monoid.
We now observe that the algebraic structure of the bonded braid monoid is closely related to the well-studied singular braid monoid [3,27]. In particular, one can interpret each bond between two strands as a kind of singular crossing, where the two arcs are tangential instead of forming a crossing, as illustrated in Figure 58.
Figure 58. Bonds as singular crossings.
For reference, the singular braid monoid S B n is generated by the usual braid generators σ 1 ± 1 , , σ n 1 ± 1 together with singular crossing generators τ 1 , , τ n 1 , subject to the following relations:
σ i σ j = σ j σ i for | i j | > 1 , σ i σ i + 1 σ i = σ i + 1 σ i σ i + 1 for all i , τ i τ j = τ j τ i for | i j | > 1 , τ i σ j ± 1 = σ j ± 1 τ i for | i j | > 1 , τ i σ i ± 1 = σ i ± 1 τ i for all i , τ i σ i + 1 σ i = σ i + 1 σ i τ i + 1 for all i σ i σ i + 1 τ i = τ i + 1 σ i σ i + 1 for all i .
Comparing the above presentation of S B n with the reduced presentation of B B n in Theorem 6 leads to the following result:
Theorem 7.
The bonded braid monoid B B n is isomorphic to the singular braid monoid S B n .
Proof. 
By identifying each bond generator b i with the singular crossing generator τ i as illustrated in Figure 58, we see that the defining relations of B B n coincide with those of S B n . Hence, the assignment b i τ i and σ i σ i extends to a monoid isomorphism B B n S B n . □
The above leads also to the following remark:
Remark 5.
A singular knot or braid can be realized geometrically with tangential singularities in place of singular crossings, giving rise to a new theory. Regarding the singularities as tangentialities of lines, one can analyze the dynamics of the birth and death of such interactions in a generalization of the present work.
Remark 6.
We observe that the first two relations in Theorem 6 are the relations of the classical braid group B n . So we have that the classical braid group B n injects in the tight bonded braid monoid B B n . This follows from Theorem 7 and from the analogous result about the singular braid monoid S B n . In general, by virtue of Theorem 7, any result on the singular braid monoid S B n transfers intact to the tight bonded braid monoid B B n . And vice versa, like Theorem 8 that follows, which is also valid for S B n . We further observe that the relations satisfied by the b i ’s are compatible with the braid relations. Therefore, there is a surjection from B B n to B n by assigning b i σ i and σ i σ i and another one by assigning b i i d and σ i σ i .
We can further reduce the presentation of B B n using only the classical braid generators σ i and a single bond generator b 1 . Indeed, by any of the two last relations in Theorem 6 all elementary bonds b i for i > 1 can be expressed as conjugates of b 1 by the appropriate braid words. Suppose we fix the first ones: b i σ i + 1 σ i = σ i + 1 σ i b i + 1 . Then we obtain
b 2 = ( σ 2 σ 1 ) 1 b 1 ( σ 2 σ 1 ) b 3 = ( σ 3 σ 2 ) 1 ( σ 2 σ 1 ) 1 b 1 ( σ 2 σ 1 ) ( σ 3 σ 2 ) b i = ( σ i σ i 1 ) 1 ( σ 2 σ 1 ) 1 b 1 ( σ 2 σ 1 ) ( σ i σ i 1 ) ,
On the other hand, by the last relations in Theorem 6, we obtain: b 2 = ( σ 1 σ 2 ) b 1 ( σ 1 σ 2 ) 1 . So, substituting b 2 in the first of the above relations, we extract the following relation:
b 1 ( σ 2 σ 1 ) ( σ 1 σ 2 ) = ( σ 2 σ 1 ) ( σ 1 σ 2 ) b 1
Therefore, using the above and applying Tietze transformations on the relations of Theorem 6, we obtain the following irredundant presentation:
Theorem 8.
The tight bonded braid monoid B B n admits the following irredundant presentation: it is generated by the classical braid generators σ 1 , , σ n 1 and a single bond generator b 1 , subject to the following relations:
σ i σ j = σ j σ i for | i j | > 1 , σ i σ i + 1 σ i = σ i + 1 σ i σ i + 1 for all i , b 1 σ j ± 1 = σ j ± 1 b 1 for j > 2 , b 1 ( σ 2 σ 1 ) ( σ 1 σ 2 ) = ( σ 2 σ 1 ) ( σ 1 σ 2 ) b 1 b 1 σ 1 ± 1 = σ 1 ± 1 b 1 .

8. Bonded Braid Equivalences

To determine whether two classical braids yield isotopic knots or links via their closures, the Markov theorem provides the necessary and sufficient conditions [5]. It states that two braids have equivalent closures if and only if they are related by a finite sequence of
  • Conjugation: β γ β γ 1 , β , γ B n ;
  • Stabilization move: β β σ n ± 1 B n + 1 , β B n .
In [7] a one-move analogue of the Markov theorem is formulated using the L-moves, which generalize the stabilization moves and also generate conjugation.
In this section we formulate and prove two bonded braid equivalences for topological bonded braids: the bonded L-equivalence for standard bonded braids and the tight bonded L-equivalence for tight bonded braids. For proving a braid equivalence we need to have the diagrams in general position, as described in the proof of the bonded braiding algorithm, to which we now add the triangle condition, whereby any two sliding triangles of up-arcs do not intersect. This is achieved by further subdivision of up-arcs, if needed, and it allows any order in the sequence of the braiding moves. We note here that the interior of a sliding triangle may intersect a bond.
We proceed with introducing the notion of L-moves in the bonded setting. In the classical setting, the L-moves naturally generalize the stabilization moves in the Markov theorem for classical braids, since an L–move is equivalent to adding in a braid a positive or a negative crossing, so that two braids that differ by an L-move have isotopic closures. Moreover, as shown in [7], the L-moves can also realize conjugation for classical braids. On the other hand, an L–move can be created by braid isotopy, stabilization and conjugation [7]. The L–move approach to Markov-type theorems is flexible and powerful for formulating braid equivalences in practically any topological setting. They prove to be particularly useful in settings where the braid analogues do not have an apparent algebraic structure. In [7,19,20]L-moves and braid equivalence theorems are presented for different knot theories.
Definition 11.
A classical L-move or simply L-move on a bonded braid β, consists in the following operation or its inverse: we cut an arc of β open and we pull the upper cutpoint downward and the lower upward, so as to create a new pair of distinct braid strands with corresponding endpoints (on the vertical line of the cutpoint), and such that both strands run entirely over or entirely under the rest of the braid (including the bonds). Pulling the new strands over will give rise to an L o -move and pulling under to an L u -move. By definition, an L-move cannot occur in a bond or at a node. By a general position argument, the new pair of strands does not pass by a crossing or a node. Figure 64 shows L o and L u moves taking place above or below a bond, on its attaching strand.
Figure 64. L-moves on a strand with a bond.
Furthermore, a tight L-move on a tight bonded braid is defined as above, with the addition that, if the new strands are vertically aligned with a bond, the strands can be pulled to the side, right or left, using the braided vertex slide moves as described in Figure 57, see also Figure 65, so as to remain in the tight category. A pulled away L-move in the tight category shall be called tight L-move. Tight L-moves include the L-moves that do not cross bonds.
Figure 65. A crossing formed after an L-move is performed, pulling the strands of an L-move away from the bond.
Note 1.
The closures of two bonded braids that differ by an L-move are rigid vertex isotopic. See second illustration of Figure 65, where the closure of the L-move contracts to the original arc.
Note 2.
Like in the classical setting, an L-move is equivalent to introducing a crossing in the bonded braid formed by the new pair of strands. Note that in the closure, the L-move in this form contracts to an R1 move. This formation can be further pulled away from the bond to the (far) right (or left) of the bonded braid using bonded braid isotopy. In Figure 65 the new pair of strands is pulled to the far right of the bonded braid.
We consider now the left-hand and the right-hand side bonded diagrams in Figure 62, which differ only by the one crossing which can be positive or negative. We braid the two bonded diagrams using the braiding moves described in the proof of Theorem 9. Examining carefully the resulting bonded braids leads to the following definition.
Definition 12.
A bonded L-move between two bonded braids resembles an L-move with an in-box crossing. More precisely, a bonded L o -move (resp. a bonded L u -move) consists in the following operation or its inverse: we cut an arc adjacent to a bond node and create with the two cutpoints a crossing of specific type. We then pull the two ends, the upper upward and the lower downward, so as to create a new pair of vertically aligned braid strands, such that both strands run entirely over (resp. entirely under) the rest of the bonded braid (including the bonds). The choice of the crossing is determined by the following property: a vertex slide move with the arc of the crossing not adjacent to the bond node cannot give rise to a classical L o -move with a crossing (resp. a classical L u -move with a crossing). More precisely, if the two cutpoints lie in the upper right arc of the H-region of a bond, the crossing is positive, while if they lie in the lower right arc of the H-region, the crossing is negative. See Figure 66. If the two cutpoints lie in the upper left arc of the H-region of a bond, the crossing is negative, while if they lie in the lower left arc, the crossing is positive.
Figure 66. Bonded L-moves.
Furthermore, a tight bonded L-move is a bonded L-move defined in analogy to a tight L-move.
Note 3.
As indcated in Figure 66, the closures of two bonded braids that differ by a bonded L-move are topologically vertex equivalent.
Definition 13.
L-moves (resp. tight L-moves) together with bonded L-moves (resp. tight bonded L-moves) and bonded braid isotopy generate an equivalence relation in the set of all bonded braids (resp. tight bonded braids), the bonded L-equivalence (resp. tight bonded L-equivalence).
We are now in a position to state one of the main results of our paper.
Theorem 10
(Bonded L-equivalence for topological bonded braids).  Two bonded braids upon closure give rise to topologically vertex isotopic oriented standard bonded links if and only if they can be obtained one from the other by a finite sequence of bonded braid isotopy and the following moves:
1. 
L-moves,
2. 
Bonded L-moves,
3. 
Bond Commuting: α b i , j b i , j α , f o r α , b i , j B B n .
Furthermore, two tight bonded braids upon closure give rise to topologically vertex isotopic oriented tight bonded links if and only if they can be obtained one from the other by a finite sequence of tight bonded braid isotopy and the following moves:
1. 
Tight L-moves,
2. 
Tight bonded L-moves,
3. 
Elementary Bond Commuting: α b i b i α , f o r α , b i B B n .
The bond commuting is illustrated in Figure 67.
Figure 67. Tight bond commuting.
Proof. 
For the one direction, the closures of two standard/tight bonded braids that differ by the moves of either statement are clearly topologically vertex equivalent. Indeed, the closures of L-moves are discussed in Notes 1 and 2 (recall Figure 65)—for the closures of bonded L-moves see Figure 66 and Note 3— while bonded commuting is realized via planar isotopy.
For the converse, in order to ensure that the stated moves are sufficient, we need to examine any choices made for bringing a bonded diagram to general position and during the braiding algorithm, and show that they result in bonded L-equivalent bonded braids, as well as that any bonded isotopy moves on a bonded diagram correspond to bonded L-equivalent bonded braids. We shall only examine choices involving bonds. All others are proved as in the classical case [7].
The first choice made for bringing a bonded diagram to general position is when bringing a vertical bond to the horizontal position; see Figure 61. Let D 1 , D 2 be two oriented bonded diagrams that differ by one such move, from the one horizontal position to the other. Figure 68 demonstrates the L-equivalence of the corresponding bonded braids for the case of parallel attaching arcs at the nodes, after braiding the regions of the two nodes. The other cases are proved likewise. The arrow indication on the bond is placed for facilitating the reader in following the different directions. Note that, if some arcs cross the bonds, these can be pulled away in both diagrams using the same vertex slide moves, so they will be braided identically. Therefore, the moves can be assumed to be local, and that all other up-arcs in both diagrams are braided, so that we can compare in the figure the final braids.
Figure 68. The choice of bringing a vertical bond to horizontal gives rise to L-equivalent bonded braids.
Another choice made during the braiding algorithm is when applying a TVT-move, as exemplified in Figure 62, so as to prepare our diagram for braiding. The crossing involved in the move can be positive or negative. One can then easily verify that the resulting braids are bonded L-equivalent.
Let now D 1 , D 2 be two bonded diagrams that differ by a topological bonded isotopy move. For classical planar isotopies and the classical Reidemeister moves, the reader is referred to [7], as the proofs pass intact in this setting. Note that the bond commuting move as well as the move we examined above, with tight bonds, comprise bonded planar isotopy moves. The moves of type Reidemeister 2 and 3 of Theorem 1 with one bond, all end up being invisible in the bonded braid after completing the braiding. Suppose next that D 1 , D 2 differ by a topological vertex twist (TVT) move. We have two cases (if we overlook the signs of the crossings), illustrated in Figure 69.
Figure 69. The two types of oriented TVT moves.
The first type of oriented TVT (left hand side of Figure 69) is treated in Figure 70, where we first braid the region of the node in the one diagram. According to the triangle condition we may assume that the rest of the diagrams are braided, so that in the figure we compare the final bonded braids.
Figure 70. L-equivalence of one type of an oriented TVT move.
The second type of oriented TVT (right hand side of Figure 69) is straightforward, as shown in Figure 71, where we braid the region of the node in the one diagram using the same crossing as in the other diagram.
Figure 71. Braiding consistently the node in the oriented TVT move results in identical diagrams.
We finally check the vertex slide (VS) moves. The three representing cases of oriented VS moves with the middle arc being an up-arc are illustrated in Figure 72, Figure 73 and Figure 74. The moves are considered local so that all other braiding is done and we can compare the final braids. Figure 72 shows the case of parallel down-arcs at the bonding sites. After the performance of the L-moves, we see that the move is invisible on the bonded braid level.
Figure 72. An oriented VS move with parallel down-arcs and its braiding analysis.
Figure 73. An oriented VS move with antiparallel down-arcs and its braiding analysis.
Figure 74. The braiding analysis of an oriented VS move with parallel up-arcs reduces to the previous cases.
Figure 73 shows the case of antiparallel arcs at the bonding sites. After braiding the up-arc with a TVT move, we perform a classical R3 move, which ensures L-equivalent bonded braids, and we arrive at the formation of the previous case.
Finally, Figure 74 shows the case of parallel up-arcs at the bonding sites. Clearly this move rests also on the previous cases after braiding up-arcs at the nodes with TVT moves and performing R3 moves.
Note that, if some arcs cross the bonds in either one of the three cases, these can be pulled away in both diagrams involved in the move, using the same vertex slide moves, so they will be braided identically. In the course of proving this Theorem, it becomes apparent that it suffices to assume that all bonds are contracted to tight bonds. Likewise all L-moves can be assumed to be tight L-moves by bonded braid isotopy. From the proof above it follows that, eventually, we only need to check the moves of Theorem 2.
We have checked all moves of Theorems 1 and 2, so the proof of both statements is completed. □
Note 4.
It is important to emphasize on the fact that bond commuting (in the closure of bonded braids) constitute equivalence moves for bonded braids, since these moves are not captured by the L-moves. The situation is in direct comparison with the L-move equivalence for singular braids, where the commuting of a singular crossing is imposed in the equivalence (see [19]).
The L-moves naturally generalize the stabilization moves for classical braids, since an L–move is equivalent to adding a positive or a negative crossing (see Note 2 and Figure 65). Moreover, as shown in [7], the L-moves can also realize conjugation for classical braids and this carries through also to bonded braids. On the other hand, as demonstrated in Figure 65, an L–move can be created by braid isotopy, stabilization and conjugation. Hence, we may replace moves (1) of Theorem 10 and, along with the algebraization of the bonded L-moves, we can obtain the analogue of the Markov theorem for bonded braids. This will be discussed in a future paper.

10. Conclusions and Further Work

In this paper we have used topological, diagrammatic, and algebraic methods to define and analyze bonded structures. This means that it is assumed that the reader understands how to translate such language into three dimensions. Diagrams can be regarded as schemata for producing specific three dimensional structures and embeddings, just as a weaving pattern is an instruction for producing a given weave. Our topological argumentation is fully rigorous because the diagrammatics are a formal system for these topological and combinatorial structures. Thus the diagrammatics have a pivotal place where one has formality on the one hand and interpretability on the other.
This topologists’ stance may be new to some scientists who look directly at the three-dimensional structure. Our approach is particularly useful for the formulation of algebraic invariants and for the formulation of algorithms for computation of invariants. To understand the full story of subjects like protein folding, one needs three three-dimensional structure and here the diagrams provided a basis for further articulation. If we wish to further study physical interactions (beyond the present paper), then one can add more structure to the combinatorial models given here and work with them three-dimensionally. This is a project for further research, and it promises deeper relationships between our invariants and the physical behaviours of molecules.
The combinatorial and algebraic coding of structures that we use in this paper has many potentials for applications. The standard diagramming can be used to produce embeddings in three dimensional space directly. The braid representations are concise algebraic methods to encode bonded structures and they are new and need to be studied further for their potential. Each method of formalizing a three-dimensional topological structure has its own properties that deserve further research.
In a paper to follow the present work, we will investigate more deeply the invariants described here. These include the unplugging invariants, the invariants using insertion and the Kauffman Bracket and Jones polynomials, and the new invariants that arise from the L-move braiding formulations for bonded knots and links. In the case of the L-moves, we will continue the formulation in terms of generalizations of the algebraic Markov theorem for bonded braids and consequent invariants defined in these terms.
Computational approaches to our work include the use of molecular databases (we refer to Sulkowska’s works in KnotProt and the Protein Data Base [15]) where one can translate three-dimensional data into the combinatorics, allowing one to compute invariants and analyse the bonding structure of proteins. In the other direction one can translate diagrammatic encoding into chosen three-dimensional embeddings and then work with these models in three dimensional space, including comparison with molecules from the database. This relationship with experimental and three-dimensional information is ongoing. We have used these methods in our previous work and will continue to use them in applications of the present research.
In the case of the ideas we have suggested for Feynman diagrams, the ideas are in a state of flux in that it is not yet clear that adding knotted structure to Feynman diagrams will advance the understanding of the quantum field theory. On the other hand, field theoretic approaches to protein folding are clearly needed (and under investigation [22]) and we need to see how such approaches are related to the three-dimensional combinatorial and topological structure of molecules. The Feynman diagrams are an intermediation between the field theory and the combinatorics. For all these reasons we regard the present work as constructing a foundation for much-needed further research.
Bonded knotoids are especially relevant for modeling open chains such as proteins. We will revisit bonded knotoids [16], their closure operations (introducing the bonded closure), and we will introduce the theory of (enhanced) bonded braidoids and their topological interaction with bonded knotoids.
In another direction we will define the plat closure for bonded braids and braidoids and formulate Hilden and Birman type theorems for turning an unoriented bonded knot/knotoid to bonded plat/platoid and for their equivalences.
We will explore a bonded Morse category, a natural next step for multi-knotoids and linkoids: a Morse-theoretic diagrammatics that admits cups/caps and incorporates bonds. This framework will carry a corresponding move calculus and normal-form results, enabling functorial invariants via monoidal functors to module categories (with trace constructions).

Author Contributions

Conceptualization, I.D., L.H.K. and S.L.; methodology, I.D., L.H.K. and S.L.; formal analysis, I.D., L.H.K. and S.L.; investigation, I.D., L.H.K. and S.L.; writing—original draft preparation, I.D., L.H.K. and S.L.; writing—review and editing, I.D., L.H.K. and S.L.; visualization, I.D., L.H.K. and S.L. All authors have read and agreed to the published version of the manuscript.

Funding

This research received no external funding.

Data Availability Statement

No new data were created or analyzed in this study. Data sharing is not applicable to this article.

Acknowledgments

Much of this work has been presented in conferences in a number of places, such as University of Ljubljana, Banff International Research Station, SKCM2 WPI Hiroshima University, Vrije Universiteit Amsterdam, Odessa National University of Technology. We wish to thank each Reviewer for their succinct comments, which helped improve the quality of this paper.

Conflicts of Interest

The authors declare no conflicts of interest.

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