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Graph theory and qualitative analysis of reaction networks

  • Different types of macroscopic reaction kinetics can be derived from microscopic molecular interactions, with the law of mass action being the most widely used one in standard situations. After such a modeling step, where primarily the types of reactions are identified, it becomes a problem to analyse qualitative properties of complete regulatory networks. This problem has to be tackled, because chemical reaction networks play a part in some of the most fundamental cellular processes such as cell metabolism and regulation of cell signalling processes. This paper discusses how reaction networks can be described and analysed by graph theoretic means. Graph theory is a useful analysis tool for complex reaction networks, in situations where there is parameter uncertainty or modeling information is incomplete. Graphs are very robust tools, in the sense that whole classes of network topologies will show similar behaviour, independently of precise information that is available about the reaction constants. Nevertheless, one still has to take care to incorporate sufficient dynamical information in the network structure, in order to obtain meaningful results.

    Citation: Mirela Domijan, Markus Kirkilionis. Graph theory and qualitative analysis of reaction networks[J]. Networks and Heterogeneous Media, 2008, 3(2): 295-322. doi: 10.3934/nhm.2008.3.295

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  • Different types of macroscopic reaction kinetics can be derived from microscopic molecular interactions, with the law of mass action being the most widely used one in standard situations. After such a modeling step, where primarily the types of reactions are identified, it becomes a problem to analyse qualitative properties of complete regulatory networks. This problem has to be tackled, because chemical reaction networks play a part in some of the most fundamental cellular processes such as cell metabolism and regulation of cell signalling processes. This paper discusses how reaction networks can be described and analysed by graph theoretic means. Graph theory is a useful analysis tool for complex reaction networks, in situations where there is parameter uncertainty or modeling information is incomplete. Graphs are very robust tools, in the sense that whole classes of network topologies will show similar behaviour, independently of precise information that is available about the reaction constants. Nevertheless, one still has to take care to incorporate sufficient dynamical information in the network structure, in order to obtain meaningful results.


    Let (Mn,g) be an n-dimensional Riemannian manifold with the metric g and the dimension n3. If there exists a non-constant smooth function f such that

    fij=f(Rij1n1Rgij), (1.1)

    then (Mn,g,f) is called a vacuum static space (for more backgrounds, see [8,10,19,23]). Here fij, Rij and R denote components of the Hessian of f, the Ricci curvature tensor and the scalar curvature, respectively. In [8], Fischer-Marsden proposed the following conjecture: The standard spheres are the only n-dimensional compact vacuum static spaces. In [18], Kobayashi gave a classification for n-dimensional complete vacuum static spaces that are locally conformally flat. On the other hand, he and Lafontaine [20] also provided some counterexamples for the above conjecture.

    In fact, according to the second Bianchi identity, any vacuum static space has constant scalar curvature. Moreover, Bourguignon [2] and Fischer-Marsden [8] have proved that the set f1(0) has the measure zero and the set f1(0) is a totally geodesic regular hypersurface.

    Let ˚Rij=RijRngij be the trace-free Ricci curvature, then (1.1) can be written as

    fij=f˚RijRn(n1)fgij, (1.2)

    which gives

    Δf=Rn1f.

    It is well known that the Weyl curvature tensor W and the Riemannian curvature tensor is related by

    Rijkl=Wijkl+1n2(RikgjlRilgjk+RjlgikRjkgil)R(n1)(n2)(gikgjlgilgjk).

    In this paper, we consider rigidity results for closed vacuum static spaces. By using the maximum principle, some rigidity theorems are obtained under some pointwise inequalities and show that the squared norm of the Ricci curvature tensor is discrete.

    Theorem 1.1. Let (Mn,g,f) be a closed vacuum static space with the positive scalar curvature and flWlijk=0 (that is, zero radial Weyl curvature), where n4. If

    (n1)(n2)2|W|2+n(n1)|˚Rij|2R2, (1.3)

    then it must be of Einstein as long as there exists a point such that the inequality in (1.3) is strict.

    Next, by substituting (1.3) with a stronger condition, we can obtain the following characterizations:

    Theorem 1.2. Let (Mn,g,f) be a closed vacuum static space with the positive scalar curvature and flWlijk=0 (that is, zero radial Weyl curvature), where n4. If

    (n1)(n2)2|W|+n(n1)|˚Rij|R, (1.4)

    then it must be of Einstein or a Riemannian product S1×Sn1. In particular, it must be of Einstein as long as there exists a point such that the inequality in (1.4) is strict.

    When W=0, the formula (2.1) shows that the Einstein metric with the positive scalar curvature must be of positive constant sectional curvature. Hence, Theorem 1.2 gives the following:

    Corollary 1.3. Let (Mn,g,f) be a closed vacuum static space with the positive scalar curvature and W=0. If

    |˚Rij|Rn(n1), (1.5)

    then it must be of either Sn with positive constant sectional curvature or a Riemannian product S1×Sn1.

    In particular, when n=3, we have W=0 automatically and Corollary 1.3 yields the following result (which has been proved by Ambrozio in [1, Theorem A]) immediately:

    Corollary 1.4. Let (M3,g,f) be a closed vacuum static space with the positive scalar curvature. If

    |˚Rij|16R, (1.6)

    then it must be of either S3 with positive constant sectional curvature or a Riemannian product S1×S2.

    Remark 1.1. It is easy to see that the condition (1.4) is stronger than (1.3). On the other hand, one can check that when Mn=S1×Sn1, we have |˚Rij|=Rn(n1), and when Mn=Sn, we have |˚Rij|=0. Hence, for closed vacuum static spaces with W=0, Corollary 1.3 gives the following pinching results: If 0|˚Rij|Rn(n1), then |˚Rij|=0 or |˚Rij|=Rn(n1). That is, the value of |˚Rij| is discrete.

    Remark 1.2. Recently, by a generalized maximum principle, Cheng and Wei [6] considered the classifications for three-dimensional complete vacuum static spaces with constant squared norm of Ricci curvature tensor. For the classifications for closed cases, see [17,24,25,26] and the references therein.

    It is well known that the Weyl curvature tensor and the Cotton tensor are defined respectively as follows:

    Rijkl=Wijkl+1n2(RikgjlRilgjk+RjlgikRjkgil)R(n1)(n2)(gikgjlgilgjk)=Wijkl+1n2(˚Rikgjl˚Rilgjk+˚Rjlgik˚Rjkgil)+Rn(n1)(gikgjlgilgjk) (2.1)

    and

    Cijk=˚Rij,k˚Rik,j+n22n(n1)(R,kgijR,jgki). (2.2)

    From (2.2), it is easy to see that Cijk is skew-symmetric with respect to the last two indices; that is, Cijk=Cikj and is trace-free in any two indices:

    Ciik=0=Ciji. (2.3)

    In addition,

    Cijk+Cjki+Ckij=0, (2.4)

    and in using the Ricci identity, one has

    Cilk,l=Ckli,l,   Cijl,l=Cjil,l,   Clij,l=0. (2.5)

    Associated to (1.1), there is a (0.3)-tensor Tijk, which can be written as

    Tijk=n1n2(˚Rikfj˚Rijfk)+1n2(gik˚Rjlgij˚Rkl)fl. (2.6)

    A direct calculation enables us to observe that T satisfies the following properties:

    Tijk=Tikj,    Tiik=0=Tiji,
    Tijk+Tjki+Tkij=0.

    Moreover, the tensor Cijk is related to T by (see [3,4,11,15,25]):

    fCijk=Tijk+flWlijk. (2.7)

    Lemma 2.1. Let (Mn,g,f) be a vacuum static space with f satisfying (1.2). We have

    Δfij=2f˚RmkWmijk+2nn2f˚Rim˚Rmj+R2n(n1)2fgij2n2f|˚Rkl|2gij+1n1Rf˚Rij+fmCjmi+fm˚Rmi,j (2.8)

    and

    fΔ˚Rij=2f˚RmkWmijk+2nn2f˚Rim˚Rmj2n2f|˚Rkl|2gij+fm(Cjmi+Cimj)+2Rn1f˚Rijfk˚Rij,k. (2.9)

    Proof. By the Ricci identity, we have

    fij,kl=fik,jl+(fmRmijk),l=fik,jl+fmlRmijk+fmRmijk,l=fik,lj+fmkRmijl+fimRmkjl+fmlRmijk+fmRmijk,l=fkl,ij+(fmRmkil),j+fmkRmijl+fimRmkjl+fmlRmijk+fmRmijk,l=fkl,ij+fmjRmkil+fmkRmijl+fimRmkjl+fmlRmijk+fmRmijk,l+fmRmkil,j,

    which gives

    Δfij=fij,kk=(Δf),ij+fmjRmi+2fmkRmijk+fimRmj+fmRmijk,k+fmRmi,j. (2.10)

    Since the scalar curvature R is constant, then

    (Δf),ij=1n1Rf[˚RijRn(n1)gij],
    fmjRmi=[f˚RmjRn(n1)fgmj](˚Rmi+Rngmi)=f˚Rim˚Rmj+n2n(n1)Rf˚RijR2n2(n1)fgij,

    which is equivalent to

    fmj˚Rmi=f˚Rim˚RmjRn(n1)f˚Rij,
    fmkRmijk=fmk[Wmijk+1n2(˚Rmjgik˚Rmkgij+˚Rikgmj˚Rijgmk)+Rn(n1)(gmjgikgmkgij)]=f˚RmkWmijk+1n2[fik˚Rkj+fjk˚Rkifmk˚Rmkgij(Δf)˚Rij]+Rn(n1)[fij(Δf)gij]=f˚RmkWmijk+1n2[2f˚Rim˚Rmj2Rn(n1)f˚Rijf|˚Rkl|2gij+Rn1f˚Rij]+Rn(n1)[f˚Rij+Rnfgij].

    In particular, by virtue of the second Bianchi identity, we have

    Rjkim,m=Rij,kRik,j=Cijk,

    where, in the last equality, we used the formula (2.2) since the scalar curvature R is constant. Thus, we obtain

    Δfij=1n1R[f˚RijRn(n1)fgij]+2f˚Rim˚Rmj+2(n2)n(n1)Rf˚Rij2R2n2(n1)fgij+2f˚RmkWmijk+2n2[2f˚Rim˚Rmj2n(n1)Rf˚Rijf|˚Rkl|2gij+Rn1f˚Rij]+2Rn(n1)[f˚Rij+Rnfgij]+fmCjmi+fm˚Rmi,j=2f˚RmkWmijk+2nn2f˚Rim˚Rmj+R2n(n1)2fgij2n2f|˚Rkl|2gij+1n1Rf˚Rij+fmCjmi+fm˚Rmi,j, (2.11)

    and the formula (2.8) is achieved.

    From (1.2), we have

    f˚Rij,k=fij,kfk˚Rij+Rn(n1)fkgij, (2.12)
    fl˚Rij,k+f˚Rij,kl=fij,klfkl˚Rijfk˚Rij,l+Rn(n1)fklgij. (2.13)

    Therefore,

    fΔ˚Rij=f˚Rij,kk=Δfij(Δf)˚Rij2fk˚Rij,k+Rn(n1)(Δf)gij=2f˚RmkWmijk+2nn2f˚Rim˚Rmj2n2f|˚Rkl|2gij+fm(Cjmi+Cimj)+2Rn1f˚Rijfk˚Rij,k. (2.14)

    The proof of Lemma 2.1 is completed.

    Lemma 2.2. Let (Mn,g,f) be a vacuum static space with f satisfying (1.2). If flWlijk=0 (that is, zero radial Weyl curvature), then

    12fΔ|˚Rij|2+12f|˚Rij|2=f˚R2ij,k+2fWmijk˚Rij˚Rmk+2nn2f˚Rim˚Rmj˚Rji+n2n1f|Cijk|2+2Rn1f|˚Rij|2. (2.15)

    Proof Using (2.9), we have

    12fΔ|˚Rij|2+12f|˚Rij|2=f˚R2ij,k+f˚RijΔ˚Rij+fk˚Rij˚Rij,k=f˚R2ij,k+2fWmijk˚Rij˚Rmk+2nn2f˚Rim˚Rmj˚Rij+(Cjmi+Cimj)˚Rijfm+2Rn1f|˚Rij|2=f˚R2ij,k+2fWmijk˚Rij˚Rmk+2nn2f˚Rim˚Rmj˚Rji2Cijk˚Rijfk+2Rn1f|˚Rij|2. (2.16)

    Since flWlijk=0, then (2.7) gives

    fCijk=Tijk

    and

    fCijk˚Rijfk=Tijk˚Rijfk=[n1n2(˚Rikfj˚Rijfk)+1n2(gik˚Rjlgij˚Rkl)fl]˚Rijfk=nn2˚Rki˚Rkjfifjn1n2|˚Rij|2|f|2. (2.17)

    On the other hand,

    f2|Cijk|2=|Tijk|2=|n1n2(˚Rikfj˚Rijfk)+1n2(gik˚Rjlgij˚Rkl)fl|2=2n(n1)(n2)2˚Rki˚Rkjfifj+2(n1)2(n2)2|˚Rij|2|f|2. (2.18)

    Combining (2.17) and (2.18), we achieve

    2(n1)Cijk˚Rijfk=(n2)f|Cijk|2.

    Thus, (2.16) becomes

    12fΔ|˚Rij|2+12f|˚Rij|2=f˚R2ij,k+2fWmijk˚Rij˚Rmk+2nn2f˚Rim˚Rmj˚Rji+n2n1f|Cijk|2+2Rn1f|˚Rij|2, (2.19)

    and the formula (2.15) is attained.

    We also need the following lemma (see [9,13,14,21]):

    Lemma 2.3. For any ρR, the following estimate holds:

    |Wijkl˚Rjl˚Rik+ρn2˚Rij˚Rjk˚Rki|n22(n1)(|W|2+2ρ2n(n2)|˚Rij|2)12|˚Rij|2. (2.20)

    Multiplying both sides of (2.15) with f, we have

    12f2Δ|˚Rij|2+12ff|˚Rij|2=f2˚R2ij,k+2f2Wmijk˚Rij˚Rmk+2nn2f2˚Rim˚Rmj˚Rji+n2n1f2|Cijk|2+2Rn1f2|˚Rij|2. (3.1)

    Since the manifold is closed, then (3.1) together with (2.20) yields

    12f2Δ|˚Rij|2+12ff|˚Rij|2f2(˚R2ij,k+n2n1|Cijk|2)+2f2[Rn1n22(n1)(|W|2+2nn2|˚Rij|2)12]|˚Rij|2. (3.2)

    Therefore, under the assumption (1.3), it follows from (3.2) that

    12f2Δ|˚Rij|2+12ff|˚Rij|2f2(˚R2ij,k+n2n1|Cijk|2)+2f2[Rn1n22(n1)(|W|2+2nn2|˚Rij|2)12]|˚Rij|20, (3.3)

    which shows that |˚Rij|2 is subharmonic on Mn. Using the maximum principle, we obtain that |˚Rij| is constant and ˚Rij,k=0. In this case, (3.3) becomes

    [Rn1n22(n1)(|W|2+2nn2|˚Rij|2)12]|˚Rij|2=0. (3.4)

    If there exists a point x0 such that (1.3) is strict, then from (3.4) we have |˚Rij|(x0)=0, which with |˚Rij| constant shows that ˚Rij0. That is, the metric is Einstein and the proof of Theorem 1.1 is completed.

    We recall the following inequality, which was first proved by Huisken (cf. [16, Lemma 3.4]):

    |Wikjl˚Rij˚Rkl|n22(n1)|W||˚Rij|2 (3.5)

    and

    |˚Rij˚Rjk˚Rki|n2n(n1)|˚Rij|3, (3.6)

    with the equality in (3.6) at some point pM if, and only if, ˚Rij can be diagonalized at p and the eigenvalue multiplicity of ˚Rij is at least n1 [12,22]. Thus, from (2.15), we obtain

    12f2Δ|˚Rij|2+12ff|˚Rij|2f2(˚R2ij,k+n2n1|Cijk|22(n2)n1|W||˚Rij|22nn1|˚Rij|3+2Rn1|˚Rij|2)=f2(˚R2ij,k+n2n1|Cijk|2)+2f2(Rn1n22(n1)|W|nn1|˚Rij|)|˚Rij|2.

    Similarly, under the assumption (1.4), we obtain

    12f2Δ|˚Rij|2+12ff|˚Rij|2f2(˚R2ij,k+n2n1|Cijk|2)+2f2(Rn1n22(n1)|W|nn1|˚Rij|)|˚Rij|20, (3.7)

    which shows that |˚Rij|2 is subharmonic on Mn. Using the maximum principle again, we obtain that |˚Rij| is constant and ˚Rij,k=0. In this case, (3.7) becomes

    (Rn1n22(n1)|W|nn1|˚Rij|)|˚Rij|2=0 (3.8)

    and the equalities in (3.5) and (3.6) occur.

    In particular, writing ˚Rij=agij+bvivj at p with some scalars a,b and a vector v, we see that the left hand side of (3.5) is zero [12] at every point p. As (3.5) is an equality and, according to [7], g is real-analytic, the metric g must be conformally flat or Einstein.

    If there exists a point x0 such that (1.4) is strict, then from (3.8) we have |˚Rij|(x0)=0. Which with |˚Rij| constant shows that ˚Rij0 and the metric is Einstein. Otherwise, we have that the equality in (1.4) occurs and

    (n1)(n2)2|W|+n(n1)|˚Rij|=R. (3.9)

    In this case, we have W=0 and (3.9) becomes |˚Rij|=Rn(n1), and then Mn=S1×Sn1 [5].

    Therefore, we complete the proof of Theorem 1.2.

    The aim of this paper is to study rigidity results for closed vacuum static spaces. The main tool is to apply the maximum principle to the function |˚Rij|2 since the manifolds are closed. More precisely, we obtain rigidity theorems by establishing some pointwise inequalities and applying the maximum principle, which further proves that the squared norm of the Ricci curvature tensor is discrete.

    The authors declare that they have not used Artificial Intelligence (AI) tools in the creation of this article.

    The authors would like to thank the referee for valuable suggestions, which made the paper more readable. The research of the authors is supported by NSFC(No. 11971153) and Key Scientific Research Project for Colleges and Universities in Henan Province (No. 23A110007).

    The authors declare no conflicts of interest.

  • This article has been cited by:

    1. Guangyue Huang, Qi Guo, Bingqing Ma, Rigidity of closed vacuum static spaces, 2025, 98, 09262245, 102217, 10.1016/j.difgeo.2024.102217
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