Crystallization of Arthrobacter sp. strain 1C N-(1-D-carboxyethyl)-L-norvaline dehydrogenase and its complex with NAD+

The novel NAD+-linked opine dehydrogenase from a soil isolate Arthrobacter sp. strain 1C belongs to an enzyme superfamily whose members exhibit quite diverse substrate specificites. Crystals of this opine dehydrogenase, obtained in the presence or absence of co-factor and substrates, have been shown to diffract to beyond 1.8 ? resolution. X-ray precession photographs have established that the crystals belong to space group P21212, with cell parameters a = 104.9, b = 80.0, c = 45.5 ? and a single subunit in the asymmetric unit. The elucidation of the three-dimensional structure of this enzyme will provide a structural framework for this novel class of dehydrogenases to enable a comparison to be made with other enzyme families and also as the basis for mutagenesis experiments directed towards the production of natural and synthetic opine-type compounds containing two chiral centres.     

Spatial separation of the traveling and evanescent parts of dipole radiation

Electric dipole radiation consists of traveling and evanescent plane waves. When radiation is detected in the far field, only the traveling waves will contribute to the intensity distribution, as the evanescent waves decay exponentially. We propose a method to spatially separate the traveling and evanescent waves before detection. It is shown that when the radiation passes through an interface, evanescent waves can be converted into traveling waves and can subsequently be observed in the far field. Let the radiation be observed under angle theta(t) with the normal. Then there exists an angle theta(ac) such that for 0 < or = theta(t) < theta(ac) all intensity originates in traveling waves, whereas for theta(ac) < theta(t) < pi/2 only evanescent waves contribute. It is shown that with this technique and under the appropriate conditions almost all far-field power can be provided by evanescent waves.     

Fresnel coefficients for a layer of NIM

Reflection and transmission of traveling and evanescent waves by a layer of material with a negative index of refraction (NIM) is studied by means of the Fresnel coefficients. We derive their values in the “NIM limit”, and we show that this limit is consistent with the exact solution. It is also indicated that simply substituting the negative values of the relative permittivity and permeability of the NIM material into the exact solution leads to incorrect results for evanescent waves.     

Ring‐Closing and Cross‐Metathesis with Artificial Metalloenzymes Created by Covalent Active Site‐Directed Hybridization of a Lipase

A series of Grubbs‐type catalysts that contain lipase‐inhibiting phosphoester functionalities have been synthesized and reacted with the lipase cutinase, which leads to artificial metalloenzymes for olefin metathesis. The resulting hybrids comprise the organometallic fragment that is covalently bound to the active amino acid residue of the enzyme host in an orthogonal orientation. Differences in reactivity as well as accessibility of the active site by the functionalized inhibitor became evident through variation of the anchoring motif and substituents on the N‐heterocyclic carbene ligand. Such observations led to the design of a hybrid that is active in the ring‐closing metathesis and the cross‐metathesis of N,N‐diallyl‐p‐toluenesulfonamide and allylbenzene, respectively, the latter being the first example of its kind in the field of artificial metalloenzymes.     

A self-consistent field study of a hydrocarbon droplet at the air-water interface

A molecularly detailed self-consistent field (SCF) approach is applied to describe a sessile hydrocarbon droplet placed at the air-water interface. Predictions of the contact angle for macroscopic droplets follow from using Neumann's equation, wherein the macroscopic interfacial tensions are computed from one-gradient calculations for flat interfaces. A two-gradient cylindrical coordinate system with mirror-like boundary conditions is used to analyse the three dimensional shape of the nano-scale oil droplet at the air-water interface. These small droplets have a finite value of the Laplace pressure and concomitant line tension. It has been calculated that the oil-water and oil-vapour interfacial tensions are curvature dependent and increase slightly with increasing interfacial curvature. In contrast, the line tension tends to decrease with curvature. In all cases there is only a weak influence of the line tension on the droplet shape. We therefore argue that the nano-scale droplets, which are described in the SCF approach, are representative for macroscopic droplets and that the method can be used to efficiently generate accurate information on the spreading of oil droplets at the air-water interface in molecularly more complex situations. As an example, non-ionic surfactants have been included in the system to illustrate how a molecularly more complex situation will change the wetting properties of the sessile drop. This short forecast is aimed to outline and to stress the potential of the method.     

Far-field detection of the dipole vortex

The energy flow lines (field lines of the Poynting vector) of electric dipole radiation exhibit a vortex structure in the near field when the dipole moment of the source is in circular rotation. The spatial extend of this vortex is smaller than a wavelength and may not be observable by a measurement in the near field. We show that the rotation of the field lines close to the source affects the image of the dipole in the far field, and this opens the possibility for observation of this vortex by a measurement in the far field.     

Nanoscale displacement of the image of an atomic source of radiation

Light emitted by an atomic source of radiation appears to travel along a straight line （ray） from the location of the source to the observer in the far field. However, when the energy flow pattern of the radiation is resolved with an accuracy better than an optical wavelength, it turns out that the field lines are usually curved. We consider electric dipole radiation, a prime example of which is the radiation emitted by an atom during an electronic transition, and we show that the field lines of energy flow are in general curves. Near the location of the dipole, the field lines exhibit a vortex structure, and in the far field they approach a straight line. The spatial extension of the vortex in the optical near field is of nanoscale dimension. Due to the rotation of the field lines near the source, the asymptotic limit of a field line is not exactly in the radially outward direction and as a consequence, the image in the far field is slightly shifted. This sub-wavelength displacement of the image of the source should be amenable to experimental observation with contemporary nanoscale-precision techniques.     

Integral resource capacity planning for inpatient care services based on bed census predictions by hour

The design and operations of inpatient care facilities are typically largely historically shaped. A better match with the changing environment is often possible, and even inevitable due to the pressure on hospital budgets. Effectively organizing inpatient care requires simultaneous consideration of several interrelated planning issues. Also, coordination with upstream departments like the operating theatre and the emergency department is much-needed. We present a generic analytical approach to predict bed census on nursing wards by hour, as a function of the Master Surgical Schedule and arrival patterns of emergency patients. Along these predictions, insight is gained on the impact of strategic (ie, case mix, care unit size, care unit partitioning), tactical (ie, allocation of operating room time, misplacement rules), and operational decisions (ie, time of admission/discharge). The method is used in the Academic Medical Center Amsterdam as a decision-support tool in a complete redesign of the inpatient care operations.