Synthesis,Spectroscopy and Crystal Structure Analysis of N1,N3-dicyclohexyl-N1-(all-trans-retinoyl)urea

The title compound, C₃₃H₅₀N₂O₂, is a side product in the reaction of all-trans-retinoic acid (atRA) with N-hydroxysuccinimide, in the presence of the coupling agent N,N′-dicyclohexylcarbodiimide, which produces the ‘active’ ester succinimidyl all-trans-retinoate as the product. It crystallizes in the orthorhombic Pbca space group. The compound was characterized by ¹H-NMR, ¹³C-NMR, ESI–MS and IR spectroscopy and its structure was determined by single-crystal X-ray diffraction. For example in the ¹³C-NMR spectrum, diagnostic peaks are those of the two amide carbonyl C atoms at δ 169.5 and 154.2 ppm, the ten olefinic C atoms of the unsaturated chain of atRA moiety at δ 149.0, 139.3, 137.7, 137.3, 134.9, 130.2, 130.0, 129.4, 128.5 and 121.5 ppm and the two methine C atoms of the N,N′-dicyclohexylurea moiety at δ 57.9 and 49.5 ppm. Detailed analysis of its molecular and supramolecular structure showed that close-packing principles (elongated shape/large hydrophobic region of the molecule) together with chemical factors (N–H?O and C–H?O intermolecular interactions) direct the 3D self-assembly process in the crystalline state. Hirshfeld surface analysis was employed, a powerful approach to quickly and easily gain insight into molecular environments in the crystalline state.

Graphical Abstract

The synthesis and X-ray structure of 1-((2E, 4E, 6E, 8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoyl)-1,3-dicyclohexylurea, a side product in the synthesis of succinimidyl all-trans-retinoate, is reported; Hirshfeld surface analysis was employed to identify intermolecular interactions.

     

Nanotribology-based novel characterization techniques for the dielectric charging failure mechanism in electrostatically actuated NEMS/MEMS devices using force-distance curve measurements

The work presents a comprehensive package of novel nanoscale characterization techniques to study dielectric charging in electrostatic nano- and microelectromechanical systems (NEMS and MEMS). The proposed assessment methodologies are based on the force-distance curve (FDC) measurements performed using an atomic force microscope (AFM) to measure, for the first time, the induced surface potential and adhesive force over charged dielectric films. They were employed to study plasma enhanced chemical vapor deposition (PECVD) silicon nitride films for application in electrostatic capacitive RF MEMS switches. Three different techniques were introduced including the application of FDC measurements to study charging in bare SiN(x) films, metal-insulator-metal (MIM) capacitors, and MEMS switches. The results from the three methods were correlated and compared with the published data from other characterization techniques, mainly charge/discharge current transient (C/DCT) and Kelvin probe force microscopy (KPFM). The unique advantages of the proposed FDC-based characterization techniques are twofold. First, they can measure the multiphysics coupling between the dielectric charging phenomenon and tribological issues at the interface between the switch bridge and the dielectric surface. Second, the FDC-based techniques can measure larger levels of induced surface potential over charged dielectric films which results from the high electric field normally used to actuate MEMS switches. Based on the proposed FDC techniques, the influence of several parameters on dielectric charging/discharging processes was investigated: the dielectric film thickness, deposition conditions, substrate, and electrical stress conditions.     

Strength statistics and the distribution of earthquake interevent times

The Weibull distribution is often used to model the earthquake interevent times distribution (ITD). We propose a link between the earthquake ITD on single faults with the Earth’s crustal shear strength distribution by means of a phenomenological stick–slip model. For single faults or fault systems with homogeneous strength statistics and power-law stress accumulation we obtain the Weibull ITD. We prove that the moduli of the interevent times and crustal shear strength are linearly related, while the time scale is an algebraic function of the scale of crustal shear strength. We also show that logarithmic stress accumulation leads to the log-Weibull ITD. We investigate deviations of the ITD tails from the Weibull model due to sampling bias, magnitude cutoff thresholds, and non-homogeneous strength parameters. Assuming the Gutenberg–Richter law and independence of the Weibull modulus on the magnitude threshold, we deduce that the interevent time scale drops exponentially with the magnitude threshold. We demonstrate that a microearthquake sequence from the island of Crete and a seismic sequence from Southern California conform reasonably well to the Weibull model.     

Fuzzy extensions to Integer Programming models of cell-formation problems in machine scheduling

Cell formation has received much attention from academicians and practitioners because of its strategic importance to modern manufacturing practices. Existing research on cell formation problems using integer programming (IP) has achieved the target of solving problems that simultaneously optimise: (a) cell formation, (b) machine-cell allocation, and (c) part-machine allocation. This paper will present extensions of the IP model where part-machine assignment and cell formation are addressed simultaneously, and also a significant number of constraints together with an enhanced objective function are considered. The main study examines the integration of inter-cell movements of parts and machine set-up costs within the objective function, and also the combination of machine set-up costs associated with parts revisiting a cell when part machine operation sequence is taken into account. The latter feature incorporates a key set of constraints which identify the number of times a part travels back to a cell for a later machine operation. Due to two main drawbacks of IP modelling for cell formation, i.e. (a) only one objective function can be involved and (b) the decision maker is required to specify precisely goals and constraints, fuzzy elements like fuzzy constraints and fuzzy goals will be considered in the proposed model. Overall the paper will not only include an extended and enhanced integer programming model for assessing the performance of cell formation, but also perform a rigorous study of fuzzy integer programming and demonstrate the feasibility of achieving better and faster clustering results using fuzzy theory.     

A study of vibration characteristics on a luxury wheelchair and a new prototype wheelchair

The transmission of wheelchair vibrations to the body will influence comfort, performance and the long-term health of the user. Improved knowledge of vibration transmissibility and its variability enhances our understanding of various human responses to vibration. In this study, an outdoor experiment and an experiment with vibration simulation using two wheelchairs (high-quality models of a new prototype wheelchair taken from two different stages of the iterative production procedure) were performed. The study confirms that the human body is very sensitive to the frequency range of 0.5-, as found in the literature. Both wheelchairs equipped with passive suspension system did not perform adequately in this frequency range and even amplified the input signal at the resonance frequency (3-). As the risk of physical damage is not likely to improve with these wheelchair suspension systems, the future depends on new designs with higher low-frequency comfort and affordable additional costs.     

Crystal Structures of the Inclusion Complexes of β-Cyclodextrin with Aliphatic Monoacids Tridecanoic Acid and (Z)-Tetradec-7-enoic Acid. Formation of [3]Pseudorotaxanes

The structures of the inclusion complexes of beta cyclodextrin with the aliphatic mono-acids tridecanoic acid (1) and (Z)-tetradec-7-enoic acid (2) have been determined at room temperature. Both compounds crystallise in P1, a = 15.654(6) Å, b = 15.650(6) Å, c = 15.937(6) Å, = 101.58(1)°, = 101.59(1)°, = 103.58(1)°, Z = 1, for 1 and a = 15.6259(9) Å, b = 15.623(1) Å, c = 15.935(1) Å, = 101.547(2)°, = 101.555(2)°, = 103.642(2)°, Z = 1, for 2. One molecule of the monoacids threads through two cyclodextrin macrocycles arranged in dimers thus forming [3]pseudorotaxanes. The host dimers are aligned along a channel in order to create a hydrophobic environment for the terminal methyl group of the guest and isolate it from the aqueous environment that surrounds the cyclodextrin dimeric units. The guests exhibit disorder over two orientations resulting in hydrogen bonding between the carboxyl groups of adjacent guest molecules along the channel and formation of carboxylic dimers. This crystal packing differs from that of -CD complexes of homologous dicarboxylic acids.     

Surface tension of binary liquid mixtures

Experimental measurements of the liquid-air interfacial tension are reported for the systems benzene + n-hexane at 20°C and acetone + isooctane at 25°C. The excess surface tension for both systems is negative while the surface tension itself for the second system, when plotted against composition, exhibits a flat minimum. An attempt is made to interpret this behavior in terms of basic thermodynamic quantities of the mixtures such as the excess free enthalpy, the heat of mixing, the excess volume, and the isothermal compressibility.