The Fermion Monte Carlo revisited

In this work we present a detailed study of the Fermion Monte Carlo algorithm (FMC), a recently proposed stochastic method for calculating fermionic ground-state energies [M.H. Kalos and F. Pederiva, Phys. Rev. Lett. vol. 85, 3547 (2000)]. A proof that the FMC method is an exact method is given. In this work the stability of the method is related to the difference between the lowest (bosonic-type) eigenvalue of the FMC diffusion operator and the exact fermi energy. It is shown that within a FMC framework the lowest eigenvalue of the new diffusion operator is no longer the bosonic ground-state eigenvalue as in standard exact Diffusion Monte Carlo (DMC) schemes but a modified value which is strictly greater. Accordingly, FMC can be viewed as an exact DMC method built from a correlated diffusion process having a reduced Bose-Fermi gap. As a consequence, the FMC method is more stable than any transient method (or nodal release-type approaches). We illustrate the various ideas presented in this work with calculations performed on a very simple model having only nine states but a full sign problem. Already for this toy model it is clearly seen that FMC calculations are inherently uncontrolled.Comment: 49 pages with 4 postscript figure

Mechanisms of cisplatin resistance and targeting of cancer stem cells: Adding glycosylation to the equation

Cisplatin-based chemotherapeutic regimens are the most frequently used (neo)adjuvant treatments for the majority of solid tumors. While platinum-based chemotherapeutic regimens have proven effective against highly proliferative malignant tumors, significant relapse and progression rates as well as decreased overall survival are still observed. Currently, it is known that sub-populations of chemoresistant cells share biological properties with cancer stem cells (CSC), which are believed to be responsible for tumor relapse, invasion and ultimately disease dissemination through acquisition of mesenchymal cell traits. In spite of concentrated efforts devoted to decipher the mechanisms underlying CSC chemoresistance and to design targeted therapeutics to these cells, proteomics has failed to unveil molecular signatures capable of distinguishing between malignant and non-malignant stem cells. This has hampered substantial developments in this complex field. Envisaging a novel rationale for an effective therapy, the current review summarizes the main cellular and molecular mechanisms underlying cisplatin resistance and the impact of chemotherapy challenge in CSC selection and clinical outcome. It further emphasizes the growing amount of data supporting a role for protein glycosylation in drug resistance. The dynamic and context-dependent nature of protein glycosylation is also comprehensively discussed, hence highlighting its potentially important role as a biomarker of CSC. As the paradigm of cancer therapeutics shifts towards precision medicine and patient-tailored therapeutics, we bring into focus the need to introduce glycomics and glycoproteomics in holistic pan-omics models, in order to integrate diverse, multimodal and clinically relevant information towards more effective cancer therapeutics.This work was supported by European Union funds (FEDER/COMPETE) and by national funds (FCT, the Portuguese Foundation for Science and Technology) under the projects with the references FCOMP-01-0124-FEDER 028188 (PTDC/BBB-EBI/0786/2012) and PTDC/BBB-EBI/0567/2014. C.R. acknowledges the support by Gastric Glyco Explorer Initial Training Network (Seventh Framework Programme grant no. 316929). IPATIMUP integrates the i3S Research Unit, which is partially supported by FCT, (PEst-C/SAU/LA0003/2013). Grants were received from FCT: SFRH/BPD/111048/2015 to J.A.F and SFRH/BD/111242/2015 to A.P. FCT is co-financed by European Social Fund (ESF) under Human Potential Operation Programme (POPH) from National Strategic Reference Framework (NSRF)

Effects of a magnetic field on the one-dimensional spin-orbital model

We study the effects of a uniform magnetic field on the one-dimensional spin-orbital model in terms of effective field theories. Two regions are examined: one around the SU(4) point (J=K/4) and the other with K<<J. We found that when $J\leq K/4$, the spin and orbital correlation functions exhibit power-law decay with nonuniversal exponents. In the region with J>K/4, the excitation spectrum has a gap. When the magnetic field is beyond some critical value, a quantum phase transition occurs. However, the correlation functions around the SU(4) point and the region with K<<J exhibit distinct behavior. This results from different structures of excitation spectra in both regime.Comment: 22 pages, no figure

Insulating charge density wave for a half-filled SU(N) Hubbard model with an attractive on-site interaction in one dimension

We study a one-dimensional SU(N) Hubbard model with an attractive on-site interaction and $N>2$ at half-filling on the bipartite lattice using density-matrix renormalization-group method and a perturbation theory. We find that the ground state of the SU(N) Hubbard model is a charge density wave state with two-fold degeneracy. All the excitations are found to be gapful, resulting in an insulating ground state, on contrary to that in the SU(2) case. Moreover, the charge gap is equal to the Cooperon gap, which behaves as $-2Nt^2/(N-1)U$ in the strong coupling regime. However, the spin gap $\Delta_{s}$ and the quasiparticle gap $\Delta_{1}$ as well open exponentially in the weak coupling region, while in the strong coupling region, they linearly depend on $U$ such that $\Delta_{s}\sim -U(N-1)$ and $\Delta_{1}\sim -U(N-1)/2$.Comment: 7 pages, 7 figure

Equilibrium Sampling From Nonequilibrium Dynamics

We present some applications of an Interacting Particle System (IPS) methodology to the field of Molecular Dynamics. This IPS method allows several simulations of a switched random process to keep closer to equilibrium at each time, thanks to a selection mechanism based on the relative virtual work induced on the system. It is therefore an efficient improvement of usual non-equilibrium simulations, which can be used to compute canonical averages, free energy differences, and typical transitions paths

Effect of Hund coupling in the one-dimensional SU(4) Hubbard model

The one-dimensional SU(4) Hubbard model perturbed by Hund coupling is studied, away from half-filling, by means of renormalization group and bosonization methods. A spectral gap is always present in the spin-orbital sector irrespective of the magnitude of the Coulomb repulsion. We further distinguish between two qualitatively different regimes. At small Hund coupling, we find that the symmetry of the system is dynamically enlarged to SU(4) at low energy with the result of {\it coherent} spin-orbital excitations. When the charge sector is not gapped, a superconducting instability is shown to exist. At large Hund coupling, the symmetry is no longer enlarged to SU(4) and the excitations in the spin sector become {\it incoherent}. Furthermore, the superconductivity can be suppressed in favor of the conventional charge density wave state.Comment: 10 pages, 1 figur

Effect of symmetry breaking perturbations in the one-dimensional SU(4) spin-orbital model

We study the effect of symmetry breaking perturbations in the one-dimensional SU(4) spin-orbital model. We allow the exchange in spin ($J_1$) and orbital ($J_2$) channel to be different and thus reduce the symmetry to SU(2) $\otimes$ SU(2). A magnetic field $h$ along the $S^z$ direction is also applied. Using the formalism developped by Azaria et al we extend their analysis of the isotropic $J_1=J_2$, h=0 case and obtain the low-energy effective theory near the SU(4) point in the asymmetric case. An accurate analysis of the renormalization group flow is presented with a particular emphasis on the effect of the anisotropy. In zero magnetic field, we retrieve the same qualitative low-energy physics than in the isotropic case. In particular, the massless behavior found on the line $J_1=J_2>K/4$ extends in a large anisotropic region. We discover though that the anisotropy plays its trick in allowing non trivial scaling behaviors of the physical quantities. When a magnetic field is present the effect of the anisotropy is striking. In addition to the usual commensurate-incommensurate phase transition that occurs in the spin sector of the theory, we find that the field may induce a second transition of the KT type in the remaining degrees of freedom to which it does not couple directly. In this sector, we find that the effective theory is that of an SO(4) Gross-Neveu model with an h-dependent coupling that may change its sign as h varies.Comment: 14 pages, 5 Figs, added referenc

Acquired resistance of human T cells to sulfasalazine: stability of the resistant phenotype and sensitivity to non-related DMARDs.

2.5 weeks) resumption of SSZ resistance and ABCG2 expression as in the original CEM/SSZ cells. CEM/SSZ cells displayed diminished sensitivity to the DMARDs leflunomide (5.1-fold) and methotrexate (1.8-fold), were moderately more sensitive (1.6-2.0 fold) to cyclosporin A and chloroquine, and markedly more sensitive (13-fold) to the glucocorticoid dexamethasone as compared with parental CEM cells. CONCLUSION: The drug efflux pump ABCG2 has a major role in conferring resistance to SSZ. The collateral sensitivity of SSZ resistant cells for some other (non-related) DMARDs may provide a further rationale for sequential mono- or combination therapies with distinct DMARDs upon decreased efficacy of SSZ

Phase diagram of a 1 dimensional spin-orbital model

We study a 1 dimensional spin-orbital model using both analytical and numerical methods. Renormalization group calculations are performed in the vicinity of a special integrable point in the phase diagram with SU(4) symmetry. These indicate the existence of a gapless phase in an extended region of the phase diagram, missed in previous studies. This phase is SU(4) invariant at low energies apart from the presence of different velocities for spin and orbital degrees of freedom. The phase transition into a gapped dimerized phase is in a generalized Kosterlitz-Thouless universality class. The phase diagram of this model is sketched using the density matrix renormalization group technique.Comment: 11 pages, 5 figures, new references adde