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Knot Theory

Katie Jacques and Mia Kovan

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What is Knot Theory?

Knot theory is the study of closed curves in three dimensions and their possible deformations.

The main question in knot theory is whether two knots are the same, and this question has led to the expansion and application of knot theory.

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What is a Knot?

  • Knots exist on a closed loop
  • Knots cannot “break” or pass through themselves
  • Two knots are the same if one can be transformed into the other using a deformation of R3

Definition: The projection of a knot is an image of the knot in 2D space

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The Knot Equivalence Problem

  • How to determine whether two knots are the same
  • There is currently no theorem that allows us to make generalizations about whether knots are the same

The Perko Pair

Images: https://www.newscientist.com/article/mg25533950-900-how-many-knots-exist-a-new-computing-trick-is-untangling-the-answer/

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Types of Knots

  • Prime knots are knots that cannot be made of multiple smaller nontrivial knots
  • A knot that can be expressed as the conjoined sum of two knots is a composite knot
  • The unknot (O) is a closed loop and is the simplest knot
  • Links are collections of intertwined loops
  • Alternating knots are knots in which the crossings alternate over and under

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Deformations

Otherwise known as Planar Isotopy, deformations changes the projection of a knot using Reidemeister Moves.

The 3 Reidemeister moves are twisting, poking, and sliding.

Images: https://mathoverflow.net/questions/443054/finite-application-of-one-of-reidemeister-moves-on-a-knot-diagram

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Reidemeister Move One: Twist

Twisting the projection of a knot is the creation of a loop in a knot, as shown below.

Images: https://www.researchgate.net/figure/The-three-Reidemeister-moves-Each-move-corresponds-to-the-simplest-changes-in-a-diagram_fig1_338149491

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Reidemeister Move Two: Poke

Poking is the act of taking one section of a knot and placing it under or over another section.

Images: https://www.researchgate.net/figure/The-three-Reidemeister-moves-Each-move-corresponds-to-the-simplest-changes-in-a-diagram_fig1_338149491

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Reidemeister Move Three: Slide

Sliding is when you take one section of a knot and slide it so that it is on the other side of a crossing of two other sections.

Images: https://www.researchgate.net/figure/The-three-Reidemeister-moves-Each-move-corresponds-to-the-simplest-changes-in-a-diagram_fig1_338149491

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Tricolorability

Tricolorability is the ability for a knot to be colored in 3 colors where crossings have to be either all the same color or all 3 colors, and at least 2 colors must be used.

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Reidemeister Moves and Tricolorability

Using Reidemeister moves changes the ways that knots can be colored, as demonstrated in the image below.

Images: https://ima.org.uk/17434/whats-knot-to-love/

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Invariants

An invariant is a property of a knot that can be used to determined if it is different from another knot

  • Used to classify and distinguish knots.

BUT: cannot tell us for sure whether two knots are equivalent!!

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Examples of Invariants

  • Crossing number
  • Tricolorability
  • P-colorability
  • Alexander Polynomial
  • Jones Polynomial
  • HOMFLY-PT Polynomial

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Crossing Number

Crossing number is one of the most obvious invariants, but has an important caveat. The crossing number of a knot is defined as the amount of crossings in the simplest projection of the knot, and so doesn’t work for any projection.

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Tricolorability

Tricolorability allows us to differentiate between knots that are tricolorable and knots that are not. A knot that is tricolorable cannot be the same knot as a knot which is not tricolorable.

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P-Colorability

P-colorability is the general version of Tricolorability. It numbers strands from 0 to p-1, and again must use at least two numbers. In order for a knot to be p-colorable, the following equation must be true:

(b1+b2)(modp)=2t(modp)

where b1 and b2 are the numbers of the bottom strand and t is the number of the top strand.

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Alexander Polynomial

The Alexander Polynomial was developed in 1923, and is an invariant which allows for more differentiation between knots.

It tells us that A(O)=1, and then

A(frw)-A(bkw)+(t1/2-t-1/2)A(sep)=0

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Other Polynomial Invariants

Jones polynomial: Discovered in 1984, the Jones polynomial uses additional variables and therefore distinguishes between more knots.

HOMFLY-PT polynomial: Uses multiple variables in order to further characterize knots.

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How to distinguish knots

Invariants allow us to tell when two knots are not equal, but just because two knots have the same invariant properties does not mean they are the same. This is why the Knot Equivalence Problem remains unanswered to this day.

Reidemeister moves allow us to attempt to deform one knot into another, proving equivalence, but there is no theorem which provides a general equivalence.

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Braids

A braid is a collection of strands connecting two rows of points, where strands must begin and end at two parallel planes, but can move in the middle.

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Some Theorems about Braids

Alexander’s Theorem states that every knot or link can be represented as a closed braid.

Markov’s Theorem states that equivalent braids expressing the same link are connected by applications of two types of Markov moves.

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First off: how do I stop my wires from knotting

Study conducted in 2007 by jostling strings around in an enclosed space

  • Results:
    • Longer time: higher chance of knotting
    • Longer string: higher chance of knotting except with…
    • Small space: lower chance of knotting

So we should all be keeping our wires in a small enclosed space to prevent tangling

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Application: molecular knotting

Proteins have knots in them

Which knots? How do we extract these knots?

  • It’s about the journey, not the destination

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Protein structure

Amino acids, each of which has an N-C-C structure

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Protein structure

Amino acids, each of which has an N-C-C structure

  • Link together, the N-C-C-N-C-C-N-... chain is the “backbone”

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Protein structure

Backbone gets twisted and folded up

  • Due to chemical interactions between amino acids
  • Can get unfolded (denatured) and lose functionality

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Where are the knots

=

?

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Finding the knots

First issue: making a closed loop

  • Proteins are chains, not loops
  • Usually we would just find the ends and connect them
  • But, the ends (termini) are deeply embedded within the protein’s folds

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Finding the knots

First issue: making a closed loop

  • Proteins are chains, not loops
  • Usually we would just find the ends and connect them
  • But, the ends (termini) are deeply embedded within the protein’s folds

terminus 1

terminus 2

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Finding the knots

First issue: making a closed loop

  • Proteins are chains, not loops
  • Usually we would just find the ends and connect them
  • But, the ends (termini) are deeply embedded within the protein’s folds

How do we connect the termini without accidentally creating or untying knots?

  • One method: smoothing algorithm

terminus 1

terminus 2

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Finding the knots

Smoothing algorithm by Taylor (2000)

  • Keep termini positions fixed
  • Adjust each residue (amino acid N-C-C block) to take average position between itself and its two neighbors
  • Undo the move if two parts of the chain pass through each other

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So what knot actually exist in proteins

Only a few types found thus far

Using this particular smoothing algorithm, Taylor analyzed a selection of 3,440 proteins, all of different structure

  • Found 7 proteins containing knots

5 right-handed trefoils 1 left-handed trefoil 2 figure eights

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So what knot actually exist in proteins

Only a few types found thus far

Using this particular smoothing algorithm, Taylor analyzed a selection of 3,440 proteins, all of different structure

  • Found 7 proteins containing knots

5 right-handed trefoils 1 left-handed trefoil 2 figure eights

POP QUIZ

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So what knot actually exist in proteins

Only a few types found thus far

Using this particular smoothing algorithm, Taylor analyzed a selection of 3,440 proteins, all of different structure

  • Found 7 proteins containing knots

5 right-handed trefoils 1 left-handed trefoil 2 figure eights

POP QUIZ

Are there the same knot? How do you know?

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So what knot actually exist in proteins

Only a few types found thus far

Using this particular smoothing algorithm, Taylor analyzed a selection of 3,440 proteins, all of different structure

  • Found 7 proteins containing knots

5 right-handed trefoils 1 left-handed trefoil 2 figure eights

POP QUIZ

Are there the same knot? How do you know?

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What might knots tell us about proteins?

Kind of mysterious how and why they exist

  • Internal duplication
  • Role of cofactors?
  • Preventing denaturation ie stability

This idea of stability also motivates studying knots in other types of molecules

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Knots in other molecules

When our molecule is knotted, it is often trapped in a heightened energy state

  • Proteins have “cofactors” which could play a role in knotting
  • But there are also tons of other ways for molecules to become knotted
    • Ex: transition ions, compound exchange

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Knots in other molecules

When our molecule is knotted, it is often trapped in a heightened energy state

  • Proteins have “cofactors” which could play a role in knotting
  • But there are also tons of other ways for molecules to become knotted
    • Ex: transition ions, compound exchange

trefoil!

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Knotty molecule properties

Knot properties affect molecular properties

  • Chirality
    • Euclidean versus topological chirality
    • Affects the way the molecule absorbs light
    • Affects magnetism: chiral-induced-spin-selectivity

Mirror =/= original → Euclidean chiral

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Detour: chirality example

Mirror =/= original → Euclidean chiral

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Knotty molecule properties

Knot properties affect molecular properties

  • Chirality
    • Euclidean versus topological chirality
    • Affects the way the molecule absorbs light
    • Affects magnetism: chiral-induced-spin-selectivity
  • Interaction with surroundings
    • Stability of the molecule, as seen with proteins
    • Also impacts how to molecule binds to other things
    • Ex: chlorine-binding synthetic molecule

Mirror =/= original → Euclidean chiral

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POP QUIZ

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POP QUIZ

Is this chiral?

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Application: why do we live in 3D?

Why 3 dimensions?

  • Certain theories suggest and assume 9 or 10 space dimensions

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Application: why do we live in 3D?

Why 3 dimensions?

  • Certain theories suggest and assume 9 or 10 space dimensions

Cosmic inflation: theory of expansion of the early universe

  • Universe expands exponentially at first, then growth slows over time
  • New theory: this was full of knots!

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knots

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POP QUIZ

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POP QUIZ

What knots do we see here

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So… what about the 3D thing

No nontrivial knot exists in 4D

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So… what about the 3D thing

No nontrivial knot exists in 4D

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So… what about the 3D thing

No nontrivial knot exists in 4D

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So… what about the 3D thing

No nontrivial knot exists in 4D

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References:

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References

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Application: Quantum computing

New way of performing computations

  • Classical computer: cbits take on 0 or 1
  • Quantum computer: qubits (until measurement) don’t have a singular state
    • “Quantum” bc it exploits quantum mechanics to do this

But so far, just theory

  • To build a quantum computer, we need to be in careful control of all physical interactions
      • Ex: absorption of literally any environmental energy

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Qubit??

State of a single qubit is the quantum superposition of |0〉and |1〉with amplitudes α0, α1

  • |ψ〉= α0|0〉 + α1|1〉= (α0, α1)

When we measure the qubit, there is probability |α0|^2 of observing |0〉and probability |α1|^2 of observing |1〉

As we add qubits, our possibilities increase beyond just |0〉and |1〉

  • Ex: 2 qubits: |ψ〉= α00|0〉|0〉 + α01|0〉|1〉+ α10|1〉|0〉 + α11|1〉|1〉

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How is this helpful though

More operations and reversibility

  • Quantum computation builds operations from linear transformations on the qubit state
    • Gives us a much wider range of reversible operations

TLDR: qubits hold a lot more manipulatable info than cbits do

  • But you can’t look at them (oops)

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Knots!!! (specifically braids)

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Quantum resources: