Structural Properties, Order-Disorder Phenomena and Phase Stability of Orotic Acid Crystal Forms

Orotic acid (OTA) is reported to exist in the anhydrous (AH), monohydrate (Hy1) and dimethylsulfoxide monosolvate (SDMSO) forms. In this study we investigate the (de)hydration/desolvation behavior, aiming at an understanding of the elusive structural features of anhydrous OTA by a combination of experimental and computational techniques, namely, thermal analytical methods, gravimetric moisture (de)sorption studies, water activity measurements, X-ray powder diffraction, spectroscopy (vibrational, solid-state NMR), crystal energy landscape and chemical shift calculations. The Hy1 is a highly stable hydrate, which dissociates above 135°C and loses only a small part of the water when stored over desiccants (25°C) for more than one year. In Hy1, orotic acid and water molecules are linked by strong hydrogen bonds in nearly perfectly planar arranged stacked layers. The layers are spaced by 3.1 Å and not linked via hydrogen-bonds. Upon dehydration the X-ray powder diffraction and solid-state NMR peaks become broader indicating some disorder in the anhydrous form. The Hy1 stacking reflection (122) is maintained, suggesting that the OTA molecules are still arranged in stacked layers in the dehydration product. Desolvation of SDMSO, a non-layer structure, results in the same AH phase as observed upon dehydrating Hy1. Depending on the desolvation conditions different levels of order-disorder of layers present in anhydrous OTA are observed, which is also suggested by the computed low energy crystal structures. These structures provide models for stacking faults as intergrowth of different layers is possible. The variability in anhydrate crystals is of practical concern as it affects the moisture dependent stability of AH with respect to hydration

RF switch positioner for communications satellite network

The RF switch positioner is a simple, lightweight, redundant positioning mechanism used to reconfigure the antenna beam on the INTELSAT VI satellite. It simultaneously rotates approximately 100 squareax waveguide switches through a full 360 deg. The RF switch positioner has been space qualified and has performed to expectations in conjunction with the feed networks in range testing

Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?

An extensive experimental screen, coupled with a computational study, revealed seven new solid-state forms of β-resorcylic acid. The known, stable polymorph II° shows a reversible phase transformation to the new, kinetically stable, probably disordered high temperature form I. The study provides a consistent picture of the solid-state of β-resorcylic acid

Employing Channel Probing to Derive End-of-Life Service Margins for Optical Spectrum Services

Optical Spectrum as a Service (OSaaS) spanning over multiple transparent optical network domains, can significantly reduce the investment and operational costs of the end-to-end service. Based on the black-link approach, these services are empowered by reconfigurable transceivers and the emerging disaggregation trend in optical transport networks. This work investigates the accuracy aspects of the channel probing method used in Generalized Signal to Noise Ratio (GSNR)-based OSaaS characterization in terrestrial brownfield systems. OSaaS service margins to accommodate impacts from enabling neighboring channels and end-of-life channel loads are experimentally derived in a systematic lab study carried out in the Open Ireland testbed. The applicability of the lab-derived margins is then verified in the HEAnet production network using a 400 GHz wide OSaaS. Finally, the probing accuracy is tested by depleting the GSNR margin through power adjustments utilizing the same 400 GHz OSaaS in the HEAnet live network. A minimum of 0.92 dB and 1.46 dB of service margin allocation is recommended to accommodate the impacts of enabling neighboring channels and end-of-life channel loads. Further 0.6 dB of GSNR margin should be allocated to compensate for probing inaccuracies

Versatile thiol-based reactions for micrometer- and nanometer-scale photopatterning of polymers and biomolecules

Thiol-based chemistry provides a mild and versatile tool for surface functionalization. In the present work, mercaptosilane films were patterned by utilizing UV-induced photo-oxidation of the thiol to yield sulfonate groups via contact and interferometric lithography (IL). These photo-generated sulfonic acid groups were used for selective immobilization of amino-functionalized molecules after activation with triphenylphosphine ditriflate (TPPDF). Moreover, protein-resistant poly(oligoethyleneglycolmethacrylate) (POEGMA) brushes were grown from the intact thiol groups by a surface-induced polymerization reaction. Exploiting both reactions it is possible to couple amino-labelled nitrilotriacetic acid (NH2-NTA) to sulfonate-functionalized regions, enabling the site-specific binding of green fluorescent protein (GFP) to regions defined lithographically, while exploiting the protein-resistant character of POEGMA brushes to prevent non-specific protein adsorption to previously masked areas. The outstanding reactivity of thiol groups paves the way towards novel strategies for the fabrication of complex protein nanopatterns beyond thiol–ene chemistry

Effectiveness of a transition plan at discharge of patients hospitalized with heart failure: a before-and-after study.

We evaluated the effectiveness of a multidisciplinary transition plan to reduce early readmission among heart failure patients. We conducted a before-and-after study in a tertiary internal medicine department, comparing 3 years of retrospective data (pre-intervention) and 13 months of prospective data (intervention period). Intervention was the introduction in 2013 of a transition plan performed by a multidisciplinary team. We included all consecutive patients hospitalized with symptomatic heart failure and discharged to home. The outcomes were the fraction of days spent in hospital because of readmission, based on the sum of all days spent in hospital, and the rate of readmission. The same measurements were used for those with potentially avoidable readmissions. Four hundred thirty-one patients were included and compared with 1441 patients in the pre-intervention period. Of the 431 patients, 138 received the transition plan while 293 were non-completers. Neither the fraction of days spent for readmissions nor the rate of readmission decreased during the intervention period. However, non-completers had a higher rate of the fraction of days spent for 30 day readmission (19.2% vs. 16.1%, P = 0.002) and for potentially avoidable readmission (9.8% vs. 13.2%, P = 0.001). The rate of potentially avoidable readmission decreased from 11.3% (before) to 9.9% (non-completers) and 8.7% (completers), reaching the adjusted expected range given by SQLape® (7.7-9.1%). A transition plan, requiring many resources, could decrease potentially avoidable readmission but shows no benefit on overall readmission. Future research should focus on potentially avoidable readmissions and other indicators such as patient satisfaction, adverse drug events, or adherence

Why Do Some Molecules Form Hydrates or Solvates?

The discovery of solvates (crystal structures where the solvent is incorporated into the lattice) dates back to the dawn of chemistry. The phenomenon is ubiquitous, with important applications ranging from the development of pharmaceuticals to the potential capture of CO2 from the atmosphere. Despite this interest, we still do not fully understand why some molecules form solvates. We have employed molecular simulations using simple models of solute and solvent molecules whose interaction parameters could be modulated at will to access a universe of molecules that do and do not form solvates. We investigated the phase behavior of these model solute–solvent systems as a function of solute–solvent affinity, molecule size ratio, and solute concentration. The simulations demonstrate that the primary criterion for solvate formation is that the solute–solvent affinity must be sufficient to overwhelm the solute–solute and solvent–solvent affinities. Strong solute–solvent affinity in itself is not a sufficient condition for solvate formation: in the absence of such strong affinity, a solvate may still form provided that the self-affinities of the solute and the solvent are weaker in relative terms. We show that even solvent-phobic molecules can be induced to form solvates by virtue of a pΔV potential arising either from a more efficient packing or because of high pressure overcoming the energy penalty