The structure of Toho1 β-lactamase in complex with penicillin reveals the role of Tyr105 in substrate recognition

The role of the conserved residue Tyr105 in class A β-lactamases has been the subject of investigation using both structural studies and saturation mutagenesis. Both have shown that while it does not need to be strictly conserved for activity, it is important for substrate recognition. With this in mind we determined the crystal structure of Toho1 β-lactamase at 15 K to 1.10 Å resolution in complex with penicillin. As expected a ring-opened penicillin molecule bound to Ser70 the catalytic nucleophile, can clearly be seen in electron density in the active site. In addition to the trapped penicillin, however, are two additional intact ring-closed penicillin molecules, captured by the enzyme through noncovalent interactions at the edge of the active site

Active-site protonation states in an Acyl-Enzyme intermediate of a Class A β-Lactamase with a Monobactam Substrate

The monobactam antibiotic aztreonam is used to treat cystic fibrosis patients with chronic pulmonary infections colonized by Pseudomonas aeruginosa strains expressing CTX-M extended-spectrum β-lactamases. The protonation states of active-site residues that are responsible for hydrolysis have been determined previously for the apo form of a CTX-M β-lactamase but not for a monobactam acyl-enzyme intermediate. Here we used neutron and high-resolution X-ray crystallography to probe the mechanism by which CTX-M extended-spectrum β-lactamases hydrolyze monobactam antibiotics. In these first reported structures of a class A β-lactamase in an acyl-enzyme complex with aztreonam, we directly observed most of the hydrogen atoms (as deuterium) within the active site. Although Lys 234 is fully protonated in the acyl intermediate, we found that Lys 73 is neutral. These findings are consistent with Lys 73 being able to serve as a general base during the acylation part of the catalytic mechanism, as previously proposed

Generating Mesoscopic Bell States via Collisions of Distinguishable Quantum Bright Solitons

We investigate numerically the collisions of two distinguishable quantum matter-wave bright solitons in a one-dimensional harmonic trap. We show that such collisions can be used to generate mesoscopic Bell states that can reliably be distinguished from statistical mixtures. Calculation of the relevant s-wave scattering lengths predicts that such states could potentially be realized in quantum-degenerate mixtures of Rb85 and Cs133. In addition to fully quantum simulations for two distinguishable two-particle solitons, we use a mean-field description supplemented by a stochastic treatment of quantum fluctuations in the soliton’s center of mass: we demonstrate the validity of this approach by comparison to a mathematically rigorous effective potential treatment of the quantum many-particle problem

Antiferromagnetic resonance in ferroborate NdFe3_3(BO3_3)$_4

The AFMR spectra of the NdFe$_3$(BO$_3$)$_4$ crystal are measured in a wide range of frequencies and temperatures. It is found that by the type of magnetic anisotropy the compound is an "easy-plane" antiferromagnet with a weak anisotropy in the basal plane. The effective magnetic parameters are determined: anisotropy fields $H_{a1}$=1.14 kOe and $H_{a2}$=60 kOe and magnetic excitation gaps $\Delta\nu_1$=101.9 GHz and $\Delta \nu_2$=23.8 GHz. It is shown that commensurate-incommensurate phase transition causes a shift in resonance field and a considerable change in absorption line width. At temperatures below 4.2 K nonlinear regimes of AFMR excitation at low microwave power levels are observed

The Effect of Hot Deformation Parameters on Microstructure Evolution of the α-Phase in Ti-6Al-4V

The effect of high-temperature deformation and the influence of hot working parameters on microstructure evolution during isothermal hot forging of Ti-6Al-4V in the alpha phase field were investigated. A series of hot isothermal axis-symmetric compression tests were carried out at temperatures both low and high in the alpha stability field [(1153 K and 1223 K (880 °C and 950 °C), respectively], using three strain rates (0.01, 0.1 and 1.0/s) relevant to industrial press forging. The microstructures and orientation of the alpha laths were determined using optical microscopy and electron backscatter diffraction techniques. The experimental results show that there is a change in lath morphology of the secondary α phase under the influence of the deformation parameters, and that α lath thickness appears to have little influence on flow behavior

Heavy--light mesons in a bilocal effective theory

Heavy--light mesons are described in an effective quark theory with a two--body vector--type interaction. The bilocal interaction is taken to be instantaneous in the rest frame of the bound state, but formulated covariantly through the use of a boost vector. The chiral symmetry of the light flavor is broken spontaneously at mean field level. The framework for our discussion of bound states is the effective bilocal meson action obtained by bosonization of the quark theory. Mesons are described by 3--dimensional wave functions satisfying Salpeter equations, which exhibit both Goldstone solutions in the chiral limit and heavy--quark symmetry for $m_Q\rightarrow\infty$. We present numerical solutions for pseudoscalar $D$-- and $B$--mesons. Heavy--light meson spectra and decay constants are seen to be sensitive to the description of chiral symmetry breaking (dynamically generated vs.\ constant quark mass).Comment: (34 p., standard LaTeX, 7 PostScript figures appended) UNITUE-THEP-17/9

Toward scalable quantum computation with cavity QED systems

We propose a scheme for quantum computing using high-Q cavities in which the qubits are represented by single cavity modes restricted in the space spanned by the two lowest Fock states. We show that single qubit operations and universal multiple qubit gates can be implemented using atoms sequentially crossing the cavities.Comment: 14 pages, 8 figure

Calculation of the interspecies s-wave scattering length in an ultracold Na-Rb vapor

We report the calculation of the interspecies scattering length for the sodium-rubidium (Na-Rb) system. We present improved hybrid potentials for the singlet $X^1\Sigma^+$ and triplet $a^3\Sigma^+$ ground states of the NaRb molecule, and calculate the singlet and triplet scattering lengths $a_{s}$ and $a_{t}$ for the isotopomers $^{23}$Na$^{87}$Rb and $^{23}$Na$^{85}$Rb. Using these values, we assess the prospects for producing a stable two-species Bose-Einstein condensate in the Na-Rb system.Comment: v2: report correct units in Table captions, fix error in conclusions for $^{23}$Na$^{85}$Rb TBEC. Otherwise, more concise presentation, typos fixed. 6 pages, 1 figur

Repeating the Errors of Our Parents? Family-of-Origin Spouse Violence and Observed Conflict Management in Engaged Couples

Based on a developmental social learning analysis, it was hypothesized that observing parental violence predisposes partners to difficulties in managing couple conflict. Seventy-one engaged couples were assessed on their observation of parental violence in their family of origin. All couples were videotaped discussing two areas of current relationship conflict, and their cognitions during the interactions were assessed using a video-mediated recall procedure. Couples in which the male partner reported observing parental violence (male-exposed couples) showed more negative affect and communication during conflict discussions than couples in which neither partner reported observing parental violence (unexposed couples). Couples in which only the female partner reported observing parental violence (female- exposed couples) did not differ from unexposed couples in their affect or behavior. Female-exposed couples reported more negative cognitions than unexposed couples, but male-exposed couples did not differ from unexposed couples in their reported cognitions

The Effect of Valproic Acid on Mesenchymal Pluripotent Cell Proliferation and Differentiation in Extracellular Matrices

Valproic acid (2-n-propylpentanoic acid, VPA) is a widely used antiepileptic and anticonvulsant drug. Previous studies have reported that VPA effects osteogenesis in vivo and in vitro, yet it remains unclear whether VPA promotes cell differentiation of osteoblasts derived from mesenchymal cells. The purpose of this study was to clarify the effect of VPA on undifferentiated pluripotent mesenchymal cell proliferation and differentiation into osteoblasts while analyzing the impact of the absence or presence of extracellular matrices (ECMs). Mouse mesenchymal cells were cultured on non-coated plastic, type I collagen-coated, and fibronectin-coated plates in the absence or presence of VPA. A cell proliferation assay was performed in which modified formazan dye content was analyzed and proliferation nuclear antigen (PCNA)-positive cells were counted at various concentrations of VPA. A high concentration of VPA did not clearly alter cell morphology, but large numbers of stress fibers were observed in these cells and the cell proliferation ratio was decreased with positive PCNA counts. In the presence of matrices, the cell proliferation ratio decreased at low VPA concentrations compared with the ratio obtained in the absence of these ECMs. On the other hand, VPA promoted osteoblastic differentiation in the presence of type I collagen. These findings indicate that for undifferentiated mesenchymal cells, VPA promotes a decrease in the cell proliferation rate in the presence of ECMs and promotes osteoblastic differentiation, both of which could provide insight into additional mechanisms of osteoblastic cell differentiation caused by VPA