Engineering fatty acid synthases for directed polyketide production.

In this study, we engineered fatty acid synthases (FAS) for the biosynthesis of short-chain fatty acids and polyketides, guided by a combined in vitro and in silico approach. Along with exploring the synthetic capability of FAS, we aim to build a foundation for efficient protein engineering, with the specific goal of harnessing evolutionarily related megadalton-scale polyketide synthases (PKS) for the tailored production of bioactive natural compounds

A Kohn-Sham system at zero temperature

An one-dimensional Kohn-Sham system for spin particles is considered which effectively describes semiconductor {nano}structures and which is investigated at zero temperature. We prove the existence of solutions and derive a priori estimates. For this purpose we find estimates for eigenvalues of the Schr\"odinger operator with effective Kohn-Sham potential and obtain $W^{1,2}$-bounds of the associated particle density operator. Afterwards, compactness and continuity results allow to apply Schauder's fixed point theorem. In case of vanishing exchange-correlation potential uniqueness is shown by monotonicity arguments. Finally, we investigate the behavior of the system if the temperature approaches zero.Comment: 27 page

31P-NMR and muSR Studies of Filled Skutterudite Compound SmFe4P12: Evidence for Heavy Fermion Behavior with Ferromagnetic Ground State

The 31P-NMR (nuclear magnetic resonance) and muSR (muon spin relaxation) measurements on the filled skutterudite system SmFe4P12 have been carried out. The temperature T dependence of the 31P-NMR spectra indicates the existence of the crystalline electric field effect splitting of the Sm3+$ (J = 5/2) multiplet into a ground state and an excited state of about 70 K. The spin-lattice relaxation rate 1/T1 shows the typical behavior of the Kondo system, i.e., 1/T1 is nearly T independent above 30 K, and varies in proportion to T (the Korringa behavior, 1/T1 \propto T) between 7.5 K and 30 K. The T dependence deviated from the Korringa behavior below 7 K, which is independent of T in the applied magnetic field of 1 kOe, and suppressed strongly in higher fields. The behavior is explained as 1/T1is determined by ferromagnetic fluctuations of the uncovered Sm3+ magnetic moments by conduction electrons. The muSR measurements in zero field show the appearance of a static internal field associated with the ferromagnetic order below 1.6 K.Comment: 6 pages, 9 figures, to be published in J. Phys. Soc. Jpn. 75 (2006

Stiffness Moduli Modelling and Prediction in Four-Point Bending of Asphalt Mixtures: A Machine Learning-Based Framework

Stiffness modulus represents one of the most important parameters for the mechanical characterization of asphalt mixtures (AMs). At the same time, it is a crucial input parameter in the process of designing flexible pavements. In the present study, two selected mixtures were thoroughly investigated in an experimental trial carried out by means of a four-point bending test (4PBT) apparatus. The mixtures were prepared using spilite aggregate, a conventional 50/70 penetration grade bitumen, and limestone filler. Their stiffness moduli (SM) were determined while samples were exposed to 11 loading frequencies (from 0.1 to 50 Hz) and 4 testing temperatures (from 0 to 30 °C). The SM values ranged from 1222 to 24,133 MPa. Observations were recorded and used to develop a machine learning (ML) model. The main scope was the prediction of the stiffness moduli based on the volumetric properties and testing conditions of the corresponding mixtures, which would provide the advantage of reducing the laboratory efforts required to determine them. Two of the main soft computing techniques were investigated to accomplish this task, namely decision trees with the Categorical Boosting algorithm and artificial neural networks. The outcomes suggest that both ML methodologies achieved very good results, with Categorical Boosting showing better performance (MAPE = 3.41% and R2 = 0.9968) and resulting in more accurate and reliable predictions in terms of the six goodness-of-fit metrics that were implemented

Improving quality indicator report cards through Bayesian modeling

<p>Abstract</p> <p>Background</p> <p>The National Database for Nursing Quality Indicators^®(NDNQI^®) was established in 1998 to assist hospitals in monitoring indicators of nursing quality (eg, falls and pressure ulcers). Hospitals participating in NDNQI transmit data from nursing units to an NDNQI data repository. Data are summarized and published in reports that allow participating facilities to compare the results for their units with those from other units across the nation. A disadvantage of this reporting scheme is that the sampling variability is not explicit. For example, suppose a small nursing unit that has 2 out of 10 (rate of 20%) patients with pressure ulcers. Should the nursing unit immediately undertake a quality improvement plan because of the rate difference from the national average (7%)?</p> <p>Methods</p> <p>In this paper, we propose approximating 95% credible intervals (CrIs) for unit-level data using statistical models that account for the variability in unit rates for report cards.</p> <p>Results</p> <p>Bayesian CrIs communicate the level of uncertainty of estimates more clearly to decision makers than other significance tests.</p> <p>Conclusion</p> <p>A benefit of this approach is that nursing units would be better able to distinguish problematic or beneficial trends from fluctuations likely due to chance.</p

Maternal Docosahexaenoic Acid Exposure Needed to Achieve Maternal–Newborn EQ

Achieving maternal docosahexaenoic acid (DHA) status equal to or greater than the infant’s DHA status at delivery is known as maternal–newborn DHA equilibrium (EQ) and is thought to be important for optimizing newborn DHA status throughout infancy. The objective of this study was to determine the daily DHA intake during pregnancy most likely to result in EQ. The participants (n = 1145) were from two randomized control trials of DHA supplementation in pregnancy. DHA intake was estimated using an abbreviated food frequency questionnaire. Total DHA exposure during pregnancy was calculated as a weighted average of the estimated DHA intake throughout pregnancy and the randomized DHA dose (200, 800, 1000 mg). Red blood cell DHA was measured from maternal and cord blood plasma at delivery and EQ status was calculated. The DHA intake required to achieve EQ was estimated by regression. In terms of DHA exposure, the point estimate and 95% confidence interval to achieve EQ was 643 (583, 735) mg of DHA/day. The results of our trial suggest an intake of 650 mg of DHA/day is necessary to increase the potential for EQ at delivery. The clinical benefits of achieving EQ deserves continued study

Nonlinear Magneto-Optical Response of ss- and dd-Wave Superconductors

The nonlinear magneto-optical response of $s$- and $d$-wave superconductors is discussed. We carry out the symmetry analysis of the nonlinear magneto-optical susceptibility in the superconducting state. Due to the surface sensitivity of the nonlinear optical response for systems with bulk inversion symmetry, we perform a group theoretical classification of the superconducting order parameter close to a surface. For the first time, the mixing of singlet and triplet pairing states induced by spin-orbit coupling is systematically taken into account. We show that the interference of singlet and triplet pairing states leads to an observable contribution of the nonlinear magneto-optical Kerr effect. This effect is not only sensitive to the anisotropy of the gap function but also to the symmetry itself. In view of the current discussion of the order parameter symmetry of High-T$_c$ superconductors, results for a tetragonal system with bulk singlet pairing for various pairing symmetries are discussed.Comment: 21 pages (REVTeX) with 8 figures (Postscript

Evidence for a common physical description of non-Fermi-liquid behavior in f-electron systems

The non-Fermi-liquid (NFL) behavior observed in the low temperature specific heat $C(T)$ and magnetic susceptibility $\chi(T)$ of f-electron systems is analyzed within the context of a recently developed theory based on Griffiths singularities. Measurements of $C(T)$ and $\chi(T)$ in the systems $Th_{1-x}U_{x}Pd_{2}Al_{3}$, $Y_{1-x}U_{x}Pd_3$, and $UCu_{5-x}M_{x}$ (M = Pd, Pt) are found to be consistent with $C(T)/T \propto \chi(T) \propto T^{-1+\lambda}$ predicted by this model with $\lambda <1$ in the NFL regime. These results suggest that the NFL properties observed in a wide variety of f-electron systems can be described within the context of a common physical picture.Comment: 4 pages, 4 figure

Dynamics of Flux Creep in Underdoped Single Crystals of Y_1-xPr_xBa_2Cu_3O_7-d

Transport as well as magnetic relaxation properties of the mixed state were studied on strongly underdoped Y_1-xPr_xBa_2Cu_3O_7-d crystals. We observed two correlated phenomena - a coupling transition and a transition to quantum creep. The distribution of transport current below the coupling transition is highly nonuniform, which facilitates quantum creep. We speculate that in the mixed state below the coupling transition, where dissipation is nonohmic, the current distribution may be unstable with respect to self-channeling resulting in the formation of very thin current-carrying layers.Comment: 11 pages, 9 figures, Submitted to Phys. Rev.