Search results for "Libraries"
showing 10 items of 255 documents
Dijets at Tevatron Cannot Constrain SMEFT Four-Quark Operators
2019
We explore the sensitivity of Tevatron data to heavy new physics effects in differential dijet production rates using the SMEFT in light of the fact that consistent and conservative constraints from the LHC cannot cover relatively low cutoff scales in the EFT. In contrast to the results quoted by the experimental collaborations and other groups, we find that, once consistency of the perturbation expansion is enforced and reasonable estimates of theoretical errors induced by the SMEFT series in $\frac{E}{\Lambda}$ are included, there is no potential to constrain four-quark contact interactions using Tevatron data. This shows the general difficulty of constraining physics model-independently …
Targeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization.
2019
Because of its essential role as a bacterial virulence factor, enzyme sortase A (SrtA) has become an attractive target for the development of new antivirulence drugs against Gram-positive infections. Here we describe 27 compounds identified as covalent inhibitors of
Dynamical symmetry breaking and fermion mass hierarchy in the scale-invariant 3-3-1 model
2020
We propose an extension of the Standard Model (SM) based on the $SU(3)_C\otimes SU(3)_L\otimes U(1)_X$ (3-3-1) gauge symmetry and scale invariance. Maintaining the main features of the so-called 3-3-1 models, such as the cancellation of gauge anomalies related to the number of chiral fermion generations, this model exhibits a very compact scalar sector. Only two scalar triplets and one singlet are necessary and sufficient to break the symmetries dynamically via the Coleman-Weinberg mechanism. With the introduction of an Abelian discrete symmetry and assuming a natural hierarchy among the vacuum expectation values of the neutral scalar fields, we show that all particles in the model can get …
Isospin-symmetry breaking in masses of ≃ Nuclei
2018
Effects of the isospin-symmetry breaking (ISB) beyond mean-field Coulomb terms are systematically studied in nuclear masses near the N=Z line. The Coulomb exchange contributions are calculated exactly. We use extended Skyrme energy density functionals (EDFs) with proton–neutron-mixed densities, to which we add new terms breaking the isospin symmetry. Two parameters associated with the new terms are determined by fitting mirror and triplet displacement energies (MDEs and TDEs) of isospin multiplets. The new EDFs reproduce MDEs for the T=12 doublets and T=1 triplets, and TDEs for the T=1 triplets. Relative strengths of the obtained isospin-symmetry-breaking terms are not consistent with the d…
Nonperturbative renormalization and O(a)-improvement of the nonsinglet vector current with Nf=2+1 Wilson fermions and tree-level Symanzik improved ga…
2019
In calculating hadronic contributions to precision observables for tests of the Standard Model in lattice QCD, the electromagnetic current plays a central role. Using a Wilson action with O(a) improvement in QCD with Nf flavors, a counterterm must be added to the vector current in order for its on-shell matrix elements to be O(a) improved. In addition, the local vector current, which has support on one lattice site, must be renormalized. At O(a), the breaking of the SU(Nf) symmetry by the quark mass matrix leads to a mixing between the local currents of different quark flavors. We present a nonperturbative calculation of all the required improvement and renormalization constants needed for …
An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors
2020
Botulinum toxins are neurotoxins produced by Clostridium botulinum. This toxin can be lethal for humans as a cause of botulism
Third family quark–lepton unification at the TeV scale
2018
We construct a model of quark-lepton unification at the TeV scale based on an $SU(4)$ gauge symmetry, while still having acceptable neutrino masses and enough suppression in flavor changing neutral currents. An approximate $U(2)$ flavor symmetry is an artifact of family-dependent gauge charges leading to a natural realization of the CKM mixing matrix. The model predicts sizeable violation of PMNS unitarity as well as a gauge vector leptoquark $U_1^\mu = ({\bf 3}, {\bf 1}, 2/3)$ which can be produced at the LHC -- both effects within the reach of future measurements. In addition, recently reported experimental anomalies in semi-leptonic $B$-meson decays, both in charged $b \to c \tau \nu$ an…
Hadronic light-by-light contribution to $$(g-2)_\mu $$ ( g - 2 ) μ from lattice QCD with SU(3) flavor symmetry
2020
We perform a lattice QCD calculation of the hadronic light-by-light contribution to $$(g-2)_\mu $$ ( g - 2 ) μ at the SU(3) flavor-symmetric point $$m_\pi =m_K\simeq 420\,$$ m π = m K ≃ 420 MeV. The representation used is based on coordinate-space perturbation theory, with all QED elements of the relevant Feynman diagrams implemented in continuum, infinite Euclidean space. As a consequence, the effect of using finite lattices to evaluate the QCD four-point function of the electromagnetic current is exponentially suppressed. Thanks to the SU(3)-flavor symmetry, only two topologies of diagrams contribute, the fully connected and the leading disconnected. We show the equivalence in the continu…
Atom- and Bond-Based 2D TOMOCOMD-CARDD Approach and Ligand-Based Virtual Screening for the Drug Discovery of New Tyrosinase Inhibitors
2008
Two-dimensional atom- and bond-based TOMOCOMD-CARDD descriptors and linear discriminant analysis (LDA) are used in this report to perform a quantitative structure-activity relationship (QSAR) study of tyrosinase-inhibitory activity. A database of inhibitors of the enzyme is collected for this study, within 246 highly dissimilar molecules presenting antityrosinase activity. In total, 7 discriminant functions are obtained by using the whole set of atom- and bond-based 2D indices. All the LDA-based QSAR models show accuracies above 90% in the training set and values of the Matthews correlation coefficient (C) varying from 0.85 to 0.90. The external validation set shows globally good classifica…
Current development of CFTR potentiators in the last decade
2020
Cystic fibrosis (CF) is a genetic disorder produced by the loss of function of CFTR, a main chloride channel involved in transepithelial salt and water transport. CFTR function can be rescued by small molecules called "potentiators" which increase gating activity of CFTR on epithelial surfaces. High throughput screening (HTS) assays allowed the identification of new chemical entities endowed with potentiator properties, further improved through medicinal chemistry optimization. In this review, the most relevant classes of CFTR potentiators developed in the last decade were explored, focusing on structure-activity relationships (SAR) of the different chemical entities, as a useful tool for t…