UROCANIC ACID PHOTOBIOLOGY. PHOTOCYCLOADDITION OF N,N-DIMETHYLTHYMINE TO UROCANIC ACID*

Abstract— Photolysis of N,N-dimethylthymine (DMT) and urocanic acid (UA) gives rise to two isolable cyclobutane adducts. N,N-dimethylthymine also photosensitizes UA E / Z isomerization. Neither phenomenon is affected by a triplet quencher, and ¹DMT* is proposed as the likely reactive species. If so, prior complexation of DMT and UA would be necessary in order for their interaction to be competitive with DMT radiationless decay. These observations are potentially related to the effect of UA on viral DNA described in the following paper.     

Robust optimization of contaminant sensor placement for community water systems

We present a series of related robust optimization models for placing sensors in municipal water networks to detect contaminants that are maliciously or accidentally injected. We formulate sensor placement problems as mixed-integer programs, for which the objective coefficients are not known with certainty. We consider a restricted absolute robustness criteria that is motivated by natural restrictions on the uncertain data, and we define three robust optimization models that differ in how the coefficients in the objective vary. Under one set of assumptions there exists a sensor placement that is optimal for all admissible realizations of the coefficients. Under other assumptions, we can apply sorting to solve each worst-case realization efficiently, or we can apply duality to integrate the worst-case outcome and have one integer program. The most difficult case is where the objective parameters are bilinear, and we prove its complexity is NP-hard even under simplifying assumptions. We consider a relaxation that provides an approximation, giving an overall guarantee of near-optimality when used with branch-and-bound search. We present preliminary computational experiments that illustrate the computational complexity of solving these robust formulations on sensor placement applications.     

Achieving peak brightness in an atom laser

In this Letter we present experimental results and a simple analytic theory on the first continuous (long pulse) Raman atom laser. We analyze the flux and brightness of a generic two state atom laser with an analytic model that shows excellent agreement with our experiments. We show that, for the same source size, the brightness achievable with a Raman atom laser is at least 3 orders of magnitude greater than achievable in any other demonstrated continuously outcoupled atom laser.     

Numerical solutions of the orbital equations for diatomic molecules

A basis of Hermite splines is used in conjunction with the collocation method to solve the orbital equations for diatomic molecules. Accurate solutions of the Hartree-Fock equations are obtained using iterative methods over most regions of space, while solving the equations by Gaussian elimination near the nuclear centres. In order to improve the speed and accuracy of our iterative scheme, a new self-adjoint form of the Hartree-Fock equation is derived. Using this new equation, our iterative subroutines solve the Hartree-Fock equations to one part in 10⁶. The Gaussian elimination routines are accurate to better than one part in 10⁸.     

Coalitions and payoffs in three‐person sequential games: Initial tests of two formal models

In this paper we develop two formal models predicting coalitions and payoffs among rank striving players in a sequential three‐person game. We test the models’ predictions with data from a laboratory study of eleven male triads. Each triad plays a sequence of games; in each game a two‐person coalition forms and divides the coalition's point value between the two coalition partners. Participants know that the sequence of games will end without warning at a randomly chosen time; at the sequence's end each player's monetary payoff is a linear function of the rank of his accumulated point score, relative to those of the other members of his triad. The complexity of this situation prevents players and analysts from representing it as a single game; thus they are unable to use n‐person game theory to identify optimal strategies. Consequently, we assume that players, unable to develop strategies that are demonstrably optimal in the long run, adopt certain bargaining heuristics and surrogate short run objectives.

The two models follow the same basic outline; they differ, however, in the planning horizon they assume players to use. Proceeding from a priori assumptions concerning each player's decision calculus and the bargaining process, the two models state the probability that each coalition forms and predict the point divisions in the winning coalition. The laboratory data provide consistently strong support for the predictions of both models.     

Resonant ultrasound spectroscopy measurement of Young's modulus,shear modulus and Poisson's ratio as a function of porosity for alumina and hydroxyapatite

Modulus–porosity relationships are critical for engineered bone tissue scaffold materials such as hydroxyapatite (HA), where porosity is essential to biological function. Resonant ultrasound spectroscopy (RUS) measurements revealed that the Young's modulus, E, and shear modulus, G, of both alumina and HA decrease monotonically with increasing volume fraction porosity, P, for 0.06 < P < 0.39 (alumina) and 0.05 < P < 0.51 (HA). Although the elastic moduli of porous materials have been measured by a number of different ultrasonic resonance techniques (of which the RUS technique is one example) and over the last decade the elastic moduli of many solids have been measured by the RUS technique, this study is the first systematic RUS study of porous materials. Comparison of E versus P data for alumina (which has been studied extensively) with literature data from several measurement techniques indicates the RUS technique is effective for modulus–porosity measurements. Another key result is that although the HA specimens included in this study have a unimodal pore size distribution, the details of the decrease in E and G with increasing P agree well with literature data for HA with both unimodal and bimodal pore size distributions. In addition, Poisson's ratio exhibits a local minimum in the porosity range of 0.2 < P < 0.25 for both HA and alumina, which may be related to the pore morphology evolution during sintering.     

Non-product form equilibrium probabilities in a class of two-station closed reentrant queueing networks

While many single station queues possess explicit forms for their equilibrium probabilities, queueing networks are more problematic. Outside of the class of product form networks (e.g., Jackson, Kelly, and BCMP networks), one must resort to bounds, simulation, asymptotic studies or approximations. By focusing on a class of two-station closed reentrant queueing networks under the last buffer first served (LBFS) policy, we show that non-product form equilibrium probabilities can be obtained. When the number of customer classes in the network is five or fewer, explicit solutions can be obtained. Otherwise, we require the roots of a characteristic polynomial and a matrix inversion that depend only on the network topology. The approach relies on two key points. First, under LBFS, the state space can be reduced to four dimensions independent of the number of buffers in the system. Second, there is a sense of spatial causality in the global balance equations that can then be exploited. To our knowledge, these two-station closed reentrant queueing networks under LBFS represent the first class of queueing networks for which explicit non-product form equilibrium probabilities can be constructed (for five customer classes or less), the generic form of the equilibrium probabilities can be deduced and matrix analytic approaches can be applied. As discussed via example, there may be other networks for which related observations can be exploited.     

More QACs,more questions: Recent advances in structure activity relationships and hurdles in understanding resistance mechanisms

Quaternary ammonium compounds (QACs) are a class of antimicrobials that have been around for over a century; nevertheless, they have found continued renewal in the structures to which they can be appended. Ranging from antimicrobial polymers to adding novel modes of action to existing antibiotics, QACs have found ongoing use due to their potent properties. However, resistance against QACs has begun to emerge, and the mechanism of resistance is still only partially understood. In this review, we aim to summarize the current state of the field and what is known about the mechanisms of resistance so that the QACs of the future can be designed to be evermore efficacious and utilized to unearth the remaining mysteries that surround bacteria’s resistance to them.