Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocen

The conformations and hydrogen bonding in the thiophene and thiazole title compounds, [Fe(C₅H₅)(C₂₀H₁₄NO₃S)], (I), and [Fe(C₅H₅)(C₁₉H₁₇N₂O₃S)], (II), are discussed. The sequence (C₅H₄)-(C₆H₄)-(CONH)-(C₄H₂S)-(CO₂Me) of rings and moieties in (I) is close to being planar; all consecutive interplanar angles are less than 10°. An intramolecular N-H...O=Cester hydrogen bond [graph set S(6), N...O = 2.768 (2) Å and N-H...O = 134 (2)°] effects the molecular planarity, and aggregation occurs via hydrogen-bonded chains formed from intermolecular Car-H...O=Cester/amide interactions along [010], with C...O distances ranging from 3.401 (3) to 3.577 (2) Å. The thiazole system in (II) crystallizes with two molecules in the asymmetric unit; these differ in the conformation along their long molecular axes; for example, the interplanar angle between the phenylene (C₆H₄) and thiazole (C₃NS) rings is 8.1 (2)° in one molecule and 27.66 (14)° in the other. Intermolecular N-H...O=Cester hydrogen bonds [N...O = 2.972 (4) and 2.971 (3) Å], each augmented by a Cphenylene-H...O=Cester interaction [3.184 (5) and 3.395 (4) Å], form motifs with graph set R¹₂(7) and generate chains along [100]. The amide C=O groups do not participate in hydrogen bonding. Compound (II) is the first reported ferrocenyl-containing thiazole structure

Synthesis and characterisation of novel ferrocenyl thienyl and thiazolyl systems

Ferrocenyl derivatives are currently under investigation by our group and several series containing both amidothienyl and amidothiazolyl systems have been synthesised and characterised. The incorporation of thienyl/thiazolyl groups into a ferrocenyl- or ferrocenylphenyl system greatly enhances the number of potential donor atoms for coordination with metal fragments e.g. PtII, PdII with a view to platinum anti-cancer studies and/or interaction with guest molecules through suitable hydrogen bonding interactions. In nature, thiazole has been found to be vital in certain natural products: examples include the antibiotic bacitracin and the siderophore yersiniabactin. In therapeutic studies the antitumour compound epothilone A and myxothiazole (inhibitor) have been extensively studied

The far field diffraction pattern for corner reflectors with complex reflection coefficients

The far field diffraction pattern of a geometrically perfect corner reflector is examined analytically for normally incident monochromatic light. The states of polarization and the complex amplitudes of the emerging light are expressed through transformation matrices in terms of those of the original incident light for each sextant of the face in a single coordinate system. The analytic expression of the total diffraction pattern is obtained for a circular face. This expression consists of three component functions in addition to the basic Airy function. The coefficient of each function is expressed in terms of complex coefficients of reflectance of the reflecting surface. Some numerical results for different reflecting surfaces, including total internal reflection, are presented. The iso-intensity contours of the diffraction pattern evaluated from the analytical expressions for an uncoated solid corner reflector are also presented along with the photographs of the pattern

Yield Reserve Program Costs in the Virginia Coastal Plain

A proposed Yield Reserve Program designed to compensate farmers for any reduced yields resulting from nitrogen (N) application rates reduced to below recommended rates is evaluated. Assuming that farmers currently follow Extension recommendations for applying N, Yield Reserve Program participation reduces expected net revenue by $10 to$13/ha. The Yield Reserve Program reduces expected net revenue by $17 to$20/ha for farmers who apply N to maximize expected net revenue. Farmers’ costs of participation increase with lower probabilities of inadequate rainfall and higher corn prices and decline with higher N prices. The Yield Reserve Program can significantly reduce N applications to cropland, which may reduce N content of surface waters, but the costs to taxpayers and farmers will depend on how the program is implemented.compliance cost, nitrogen fertilizer, nonpoint source pollution, policy, yield response function, Agricultural and Food Policy, Crop Production/Industries,

The influence of year-end bonuses on colorectal cancer screening

The objective of the paper is to estimate the effect of physician bonus eligibility on CRC screening while controlling for patient and primary care physician characteristics. The study is retrospective, using a managed care plan’s claims data on fifty-year-old commercially insured patients in the years 2000 and 2001. The data also include links to enrollment and provider files. Multivariate logistic regression models are used to assess the association between CRC screening receipt and physician bonus eligibility. The results indicate that the probability that a patient received a CRC screening was approximately 3 percentage points higher in the year physicians were eligible for a bonus. There were also significant differences according to the gender of both the patient and physician, income, and race.

Geologic application of thermal inertia imaging using HCMM data

Three test sites in the western US were selected to discriminate among surface geologic materials on the basis of their thermal properties as determined from HCMM data. Attempts to determine quantitatively accurate thermal inertia values from HCMM digital data met with only partial success due to the effects of sensor miscalibrations, radiative transfer in the atmosphere, and varying meteorology and elevation across a scene. In most instances, apparent thermal inertia was found to be an excellent qualitative representation of true thermal inertia. Computer processing of digital day and night HCMM data allowed construction of geologically useful images. At some test sites, more information was provided by data than LANDSAT data. Soil moisture effects and differences in spectrally dark materials were more effectively displayed using the thermal data

Diffusion, Fragmentation and Coagulation Processes: Analytical and Numerical Results

We formulate dynamical rate equations for physical processes driven by a combination of diffusive growth, size fragmentation and fragment coagulation. Initially, we consider processes where coagulation is absent. In this case we solve the rate equation exactly leading to size distributions of Bessel type which fall off as $\exp(-x^{3/2})$ for large $x$-values. Moreover, we provide explicit formulas for the expansion coefficients in terms of Airy functions. Introducing the coagulation term, the full non-linear model is mapped exactly onto a Riccati equation that enables us to derive various asymptotic solutions for the distribution function. In particular, we find a standard exponential decay, $\exp(-x)$, for large $x$, and observe a crossover from the Bessel function for intermediate values of $x$. These findings are checked by numerical simulations and we find perfect agreement between the theoretical predictions and numerical results.Comment: (28 pages, 6 figures, v2+v3 minor corrections

Feasibility, acceptability and efficacy of a web-based computer-tailored physical activity intervention for pregnant women - the Fit4Two randomised controlled trial

Background: Physical activity (PA) during pregnancy is associated with a variety of health benefits including a reduced risk of pregnancy related conditions such as pre-eclampsia and pregnancy-induced hypertension and leads to greater control over gestational weight gain. Despite these associated health benefits, very few pregnant women are sufficiently active. In an attempt to increase health outcomes, it is important to explore innovative ways to increase PA among pregnant women. Therefore, the aim of this study was to assess the feasibility, acceptability and efficacy of a four week web-based computer-tailored PA intervention among pregnant women. Methods: Seventy-seven participants were randomised into either: (1) an intervention group that received tailored PA advice and access to a resource library of articles relating to PA during pregnancy; or (2) a standard information group that only received access to the resources library. Objective moderate-to-vigorous physical activity (MVPA) was assessed at baseline and immediately post-intervention. Recruitment, attrition, intervention adherence, and website engagement were assessed. Questions on usability and satisfaction were administered post-intervention. Results: Feasibility was demonstrated through acceptable recruitment (8.5 participants recruited and randomised/ month), and attrition (25%). Acceptability among intervention group participants was positive with high intervention adherence (96% of 4 modules completed). High website engagement (participants logged in 1.6 times/week although only required to log in once per week), usability (75/100), and satisfaction outcomes were reported in both groups. However, participants in the intervention group viewed significantly more pages on the website (p < 0.05), reported that the website felt more personally relevant (p < 0.05), and significantly increased their MVPA from baseline to postintervention (mean difference = 35.87 min), compared to the control group (mean difference = 9.83 min) (p < 0.05), suggesting efficacy. Conclusions: The delivery of a computer-tailored web-based intervention designed to increase PA in pregnant women is feasible, well accepted and associated with increases in short-term MVPA. Findings suggest the use of computer-tailored information leads to greater website engagement, satisfaction and greater PA levels among pregnant women compared to a generic information only website. Trial registration: The trial was ‘retrospectively registered’ with the Australian New Zealand Clinical Trials RegistryMelanie Hayman, Peter Reaburn, Matthew Browne, Corneel Vandelanotte, Stephanie Alley and Camille E. Shor