Rational design of a (S)-selective-transaminase for asymmetric synthesis of (1S)-1-(1,1′-biphenyl-2-yl)ethanamine

Amine transaminases offer an environmentally sustainable synthesis route for the production of pure chiral amines. However, their catalytic efficiency toward bulky ketone substrates is greatly limited by steric hindrance and therefore presents a great challenge for industrial synthetic applications. We hereby report an example of rational transaminase enzyme design to help alleviate these challenges. Starting from the Vibrio fluvialis amine transaminase that has no detectable catalytic activity toward the bulky aromatic ketone 2-acetylbiphenyl, we employed a rational design strategy combining in silico and in vitro studies to engineer the transaminase enzyme with a minimal number of mutations, achieving an high catalytic activity and high enantioselectivity. We found that, by introducing two mutations W57G/R415A, detectable enzyme activity was achieved. The rationally designed variant, W57F/R88H/V153S/K163F/I259M/R415A/V422A, showed an improvement in reaction rate by more than 1716-fold toward the bulky ketone under study, producing the corresponding enantiomeric pure (S)-amine (enantiomeric excess (ee) value of >99%)

On Aharonov-Casher bound states

In this work bound states for the Aharonov-Casher problem are considered. According to Hagen's work on the exact equivalence between spin-1/2 Aharonov-Bohm and Aharonov-Casher effects, is known that the $\boldsymbol{\nabla}\cdot\mathbf{E}$ term cannot be neglected in the Hamiltonian if the spin of particle is considered. This term leads to the existence of a singular potential at the origin. By modeling the problem by boundary conditions at the origin which arises by the self-adjoint extension of the Hamiltonian, we derive for the first time an expression for the bound state energy of the Aharonov-Casher problem. As an application, we consider the Aharonov-Casher plus a two-dimensional harmonic oscillator. We derive the expression for the harmonic oscillator energies and compare it with the expression obtained in the case without singularity. At the end, an approach for determination of the self-adjoint extension parameter is given. In our approach, the parameter is obtained essentially in terms of physics of the problem.Comment: 11 pages, matches published versio

Asymptotic gluing of asymptotically hyperbolic solutions to the Einstein constraint equations

We show that asymptotically hyperbolic solutions of the Einstein constraint equations with constant mean curvature can be glued in such a way that their asymptotic regions are connected.Comment: 37 pages; 2 figure

Near-Earth asteroid sample return missions

The rate of discovery of new NEAs and the success of D-S 1 and NEAR-Shoemaker, suggest that sample return from NEAs is now technically feasible. Here we present a summary of a recent workshop on the topic

Conformal linear gravity in de Sitter space II

From the group theoretical point of view, it is proved that the theory of linear conformal gravity should be written in terms of a tensor field of rank-3 and mixed symmetry [Binegar, et al, Phys. Rev. D 27, (1983) 2249]. We obtained such a field equation in de Sitter space [Takook, et al, J. Math. Phys. 51, (2010) 032503]. In this paper, a proper solution to this equation is obtained as a product of a generalized polarization tensor and a massless scalar field and then the conformally invariant two-point function is calculated. This two-point function is de Sitter invariant and free of any pathological large-distance behavior.Comment: 16 pages, no figure, published versio

Primeval Corrections to the CMB Anisotropies

We show that deviations of the quantum state of the inflaton from the thermal vacuum of inflation may leave an imprint in the CMB anisotropies. The quantum dynamics of the inflaton in such a state produces corrections to the inflationary fluctuations, which may be observable. Because these effects originate from IR physics below the Planck scale, they will dominate over any trans-Planckian imprints in any theory which obeys decoupling. Inflation sweeps away these initial deviations and forces its quantum state closer to the thermal vacuum. We view this as the quantum version of the cosmic no-hair theorem. Such imprints in the CMB may be a useful, independent test of the duration of inflation, or of significant features in the inflaton potential about 60 e-folds before inflation ended, instead of an unlikely discovery of the signatures of quantum gravity. The absence of any such substructure would suggest that inflation lasted uninterrupted much longer than ${\cal O}(100)$ e-folds.Comment: 17 pages, latex, no figures; v3: added references and comments, final version to appear in Phys. Rev.

Transitions in the Horizontal Transport of Vertically Vibrated Granular Layers

Motivated by recent advances in the investigation of fluctuation-driven ratchets and flows in excited granular media, we have carried out experimental and simulational studies to explore the horizontal transport of granular particles in a vertically vibrated system whose base has a sawtooth-shaped profile. The resulting material flow exhibits novel collective behavior, both as a function of the number of layers of particles and the driving frequency; in particular, under certain conditions, increasing the layer thickness leads to a reversal of the current, while the onset of transport as a function of frequency occurs gradually in a manner reminiscent of a phase transition. Our experimental findings are interpreted here with the help of extensive, event driven Molecular Dynamics simulations. In addition to reproducing the experimental results, the simulations revealed that the current may be reversed as a function of the driving frequency as well. We also give details about the simulations so that similar numerical studies can be carried out in a more straightforward manner in the future.Comment: 12 pages, 18 figure

Cosmological parameters from SDSS and WMAP

We measure cosmological parameters using the three-dimensional power spectrum P(k) from over 200,000 galaxies in the Sloan Digital Sky Survey (SDSS) in combination with WMAP and other data. Our results are consistent with a ``vanilla'' flat adiabatic Lambda-CDM model without tilt (n=1), running tilt, tensor modes or massive neutrinos. Adding SDSS information more than halves the WMAP-only error bars on some parameters, tightening 1 sigma constraints on the Hubble parameter from h~0.74+0.18-0.07 to h~0.70+0.04-0.03, on the matter density from Omega_m~0.25+/-0.10 to Omega_m~0.30+/-0.04 (1 sigma) and on neutrino masses from <11 eV to <0.6 eV (95%). SDSS helps even more when dropping prior assumptions about curvature, neutrinos, tensor modes and the equation of state. Our results are in substantial agreement with the joint analysis of WMAP and the 2dF Galaxy Redshift Survey, which is an impressive consistency check with independent redshift survey data and analysis techniques. In this paper, we place particular emphasis on clarifying the physical origin of the constraints, i.e., what we do and do not know when using different data sets and prior assumptions. For instance, dropping the assumption that space is perfectly flat, the WMAP-only constraint on the measured age of the Universe tightens from t0~16.3+2.3-1.8 Gyr to t0~14.1+1.0-0.9 Gyr by adding SDSS and SN Ia data. Including tensors, running tilt, neutrino mass and equation of state in the list of free parameters, many constraints are still quite weak, but future cosmological measurements from SDSS and other sources should allow these to be substantially tightened.Comment: Minor revisions to match accepted PRD version. SDSS data and ppt figures available at http://www.hep.upenn.edu/~max/sdsspars.htm