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The crystal structure of brimonidine hydrogen tartrate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Brimonidine hydrogen tartrate crystallizes in space group P21 (#4) with a = 7.56032(2), b = 7.35278(2), c = 30.10149(9) Å, β = 90.1992(2)°, V = 1673.312(10) Å3, and Z = 4 at 295 K. The crystal structure consists of alternating layers of cations and anions parallel to the ab-plane. Each of the hydrogen tartrate anions is linked to itself by very strong charge-assisted O–H⋯O hydrogen bonds into chains along the a-axis. Each hydroxyl group of each tartrate acts as a donor in an O–H⋯O or O–H⋯N hydrogen bond. One of these is intramolecular, but the other three are intermolecular. These hydrogen bonds link the hydrogen tartrate anions into layers parallel to the ab-plane and also link the anion–cation layers. The protonated N atoms act as donors in N–H⋯O or N–H⋯N hydrogen bonds to the carboxyl groups of the tartrates and to a ring nitrogen atom. These link the cations and anions, as well as providing cation–cation links. The amino N atoms of the cations form N–H⋯O hydrogen bonds to hydroxyl groups of the anions. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®)
The crystal structure of nintedanib esylate hemihydrate was refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Nintedanib esylate hemihydrate crystallizes in space group P-1 (#2) with a = 11.5137(1), b = 16.3208(4), c = 19.1780(5) Å, α = 69.0259(12), β = 84.4955(8), γ = 89.8319(6)°, V = 3347.57(3) Å3, and Z = 4 at 295 K. Hydrogen bonds are prominent in the crystal structure. The water molecule forms two medium-strength O–H⋯O hydrogen bonds to one of the esylate anions. The protonated nitrogen atom in each cation forms a N–H⋯O hydrogen bond to an esylate anion. The ring N–H groups form strong intramolecular N–H⋯O hydrogen bonds to carbonyl groups. The ring N–H groups form intramolecular N–H⋯O hydrogen bonds to esylate anions. Many C–H⋅⋅⋅O hydrogen bonds (and one C–H⋯N hydrogen bond), with aromatic C–H, methylene groups and methyl groups as donors, are present. The hydrogen bonding patterns of the two cations differ considerably. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®)
To address the question of how to deliver time-sensitive software for cyber-physical systems (CPS) requires a range of modelling and analysis techniques to be developed and integrated. A number of these required techniques are unique to time-sensitive software where timeliness is a correctness property rather than a performance attribute. This paper focuses on how to obtain worst-case estimates of the software’s execution time; in particular, it considers how workload models are derived from assumptions about the system’s run-time behaviour. The specific contribution of this paper is the exploration of the notion that a system can be subject to more than one workload model. Examples illustrate how such multi-models can lead to improved schedulability and hence more efficient CPS. An important property of the approach is that the derived analysis exhibits model-bounded behaviour. This ensures that the maximum load on the system is never higher than that implied by the individual models.
Pursuing highly efficient aerodynamic efficiency in aircraft has driven the development of morphing wing technology. However, there are still limitations to morphing wing technology, including adaptation of load and deformation, and deformation monitoring and control. This work introduces an intelligent trailing edge structure that balances deformation and load-bearing and achieves deformation monitoring and active control. Firstly, we employ a honeycomb structure for non-uniform filling of the trailing edge. The filling method is obtained through inverse design using a genetic algorithm based on neural networks, allowing the device to undergo continuous deformation while meeting load-bearing requirements. The bending deformation of the wing is achieved using shape memory alloy (SMA) wire. Additionally, we design and fabricate a metal-based multichannel flexible sensor, and based on beam bending theory, we establish the strain–displacement relationship. These sensors are affixed to the trailing edge surface, enabling real-time monitoring and active control of trailing edge deformation. Building an experimental platform to test this system, the results show that the sensors can accurately give feedback on the degree of wing deformation, and the error of active deformation control technology is less than 4%. This provides a new method for the deformation feedback control closed-loop system of intelligent variant wings.
Flexible electronics researchers have been conducting studies to explore the response of flexible stretchable electrodes to strain. The regulation of strain response in current flexible stretchable electrodes relies primarily on altering the material system, interfacial adhesion, or electrode structure. However, modifying the material system or interfacial adhesion can negatively disrupt the stretchable electrode preparation process, making commercialization a significant challenge. Additionally, the material system may be inadequate in extreme environments such as high temperatures. Hence a systematic structural design approach is crucial for effective response modulation of stretchable electrodes. One potential solution is the design of fibre structures from the micro to macro scale. This article focuses on discussing how the response of stretchable electrodes can be modulated by fibres in different states. The discussion includes fibres on elastic films, fibres directly constituting fibrous membranes at the microscopic level, and fibres constituting metamaterials at the fine level. The modulation can be achieved by altering the orientation of the fibres, the geometrical structure of the fibres themselves, and the geometrical structure formed between the fibres. Additionally, the article analyses the current situation of stretchable electrodes in extreme environments such as high temperatures. It also reviews the development of ceramic fibre membranes that can be stretched in high-temperature environments. The authors further discuss how the stretchability of ceramic fibre membranes can be improved through the structuring of ceramic fibre membranes with metamaterials. Ultimately, the goal is to realize stretchable electrodes that can be used in extreme environments such as high temperatures.
Cyber-Physical Systems (CPSs) combine cyber, physical and human activities through computing and network technologies, creating opportunities for benign and malign actions that affect organisations in both the physical and computational spheres. The US National Cyber Security Strategy (US White House, 2023) warns that this exposes crucial systems to disruption over a wide CPS attack surface. The UK National Cyber Security Centre Annual Review (UK National Cyber Security Centre, 2023) acknowledges that, although some organisations are evolving ‘a more holistic view of critical systems rather than purely physical assets’, this is not reflected in governance structures that still tend to treat cyber and physical security separately.
This research investigates a novel method for cultivating mycelium-based leather substitutes using a carefully formulated paste consistency substrate. The primary objectives are to enhance nutrient availability, facilitate scalability, and streamline cultivation processes. The study spans a 21-day cultivation period, during which a flower-based medium is employed, eliminating the need for labor-intensive harvesting techniques. Two fungal species, Ganoderma lucidum (rishi) and Pleurotus djamor (pink oyster) are tested to assess their compatibility with the growth method. These species were chosen based on their rapid colonization rates and inherent resilience. The investigation delves into various combinations of crosslinking agents, including glycerol (a plasticizer), commercial tanner, citric acid, and magnesium sulfate. The effects of these agents on tensile strength are compared and qualitative data is analyzed through the use of scanning electron microscopy (SEM) and stereo microscopy. Furthermore, the study explores the fabrication potential of non-woven textiles derived from mycelium, emphasizing their suitability as eco-friendly leather alternatives. Scaled prototypes are highlighted to demonstrate their feasibility. Post-treatment processes, such as dyeing with bio-based dyes and acrylic leather paint, are evaluated for their aesthetic impact. The research contributes a biodegradable material alternative that addresses the environmental challenges of high textile consumption. The findings add to the growing body of sustainable design methods in the realm of leather-like materials in bio-design.
Urban inhabitants spend upwards of 90% of their time indoors where building design and mechanical air-handling systems negatively impact air quality, microbiome diversity and health outcomes. Urban bioremediation infrastructure designed to improve indoor environmental quality by drawing air through photosynthesizing plants and metabolically diverse rhizospheres have been investigated since the 1960s; however, in-depth analysis of the potential impacts on indoor environments is required: (1) although recent evidence has illustrated human microbiome alteration and associated health benefits related to exposure to green wall systems, the mechanism(s) of diversification have not yet been established, (2) microbial metabolism and airborne chemical dynamics are extraordinarily complex and hypotheses pertaining to rhizosphere microorganisms metabolizing pollutants require more attention. To explore these areas, we applied a shotgun metagenomic approach to quantify microbial diversity and establish preliminary metabolic profiles within active green wall modules spanning a range of growth media and plant selections. Results indicate that fundamental design decisions, including hydroponic vs. organic growth media, support rhizosphere microbiomes with distinct diversity and metabolic profiles which could impact system performance. The described relationships indicate fundamental green infrastructure design represents an opportunity to “grow” indoor microbial diversity and metabolisms with potential benefits for human pollutant exposure and health outcomes.
For more than 80 years, the scientific community has extensively used International Centre for Diffraction Data's (ICDD®) Powder Diffraction File (PDF®) for material characterization, including powder X-ray diffraction analysis. Historically, PDF was made available for two major material types: one for inorganic analysis and the other for organic analysis. In the early years of the PDF, this two-material approach was implemented due to limited computer capabilities. With Release 2024, ICDD provides a comprehensive database consisting of the entire PDF in one database called PDF-5+, comprised of more than one million entries (1,061,898). The PDF-5+ with a relational database (RDB) construct houses extensive chemical, physical, bibliographic, and crystallographic data, including atomic coordinates and raw data, enabling qualitative and quantitative phase analysis. This wealth of information in one database is advantageous for phase identification, materials characterization, and several data mining applications in materials science. A database of this size needs rigorous data curation and structural and chemical classifications to optimize pattern search/match and characterization methods. Each entry in the PDF has an editorially assigned quality mark. An editorial comment will describe the reason if an entry does not meet the top-quality mark. The editorial processes of ICDD's quality management system are unique in that they are ISO 9001:2015 certified. Among several classifications implemented in PDF-5+, subfiles (such as Bioactive, Pharmaceuticals, Minerals, etc.) directly impact the search/match in minimizing false positives. Scientists with specific field expertise continuously review these subfiles to maintain their quality. This paper describes the features of PDF with an emphasis on the newly released PDF-5+.
This paper describes novel computational design, simulation and fabrication techniques employed in the production of a large sound-absorbing sculpture called Phoenix, made entirely from mycelium-composite materials (myco-materials). Myco-materials are composites made of lignocellulosic agricultural waste fibers bound by fungal mycelium and are produced at commercial scale as alternatives for plastics, insulation foam, or styrene. Mycelium composite materials have known acoustical properties that can be tuned according to variables such as growing time, substrate type, substrate size and density. The fabrication method for producing the Phoenix sculpture revisits how we build performative and formal complexity in the most economic and sustainable way. The results indicate the potential for grown materials to be used in retrofit projects, allowing rooms to be customized in various acoustical situations, such as music or speech.
Environmental concerns surrounding textile production have increased the need and interest in developing material innovations and interdisciplinary approaches to offset this ecological impact. Bacterial cellulose is present in several industries, and its biologically produced form has shown potential use within fashion. Within the emerging field of biodesign, research surrounding bacterial cellulose textiles generally focuses on the initial sheeted growth, while alternative outputs and working methods remain scarce. Here, fibre reassembly is analysed by fully integrating broken down BC fibres with knitted structures. Material selection and working methods take a practice-led approach to experiment formulation in order to observe material behaviour as central to development. This project aims to create biocomposite textiles that enhance the properties of bacterial cellulose and expand its designable characteristics through low-tech working methods accessible from designerly backgrounds. The results are intended to inform further research in footwear design contexts, as basis to develop BC-based components. Experimentation shows BC fibres reassembled around the knitted structures, varying according to yarn choice and fermenting environment alteration. This demonstrates potential for material and methodology development while exploring co-design with living organisms. In the context of future applications, BC-based composite textiles can self-assemble at different growth stages, offering the possibility of material-driven approaches to spaces intersecting biology and design.
Emission from organic materials is usually fluorescence from decay of singlet states, but in LEDs a majority of the excited states generated are triplet states which can only decay by phosphorescence or by thermally-activated delayed fluorescence (TADF). To improve the potential maximum efficiency of LEDs, it is necessary to incorporate into the emissive material chromophores which are phosphorescent or which show TADF. The ways in which such units can be incorporated into polymers are described and compared and the device results to date and prospects for future development discussed.
This chapter discusses how to tune the orbital energy levels and bandgaps of copolymers containing arylene and/or heteroarylene units, so as to obtain materials for high efficiency LEDs, TFTs and OPVs. By careful selection of the structures, and optimisation of the molar masses, polymers have been made which show very high charge carrier mobilities due to efficient charge transport. Here control of the solid-state packing is important but high crystallinity does not seem to be necessary. Transistors can be made with mobilities superior to that of amorphous silicon, though their commercial viability remains unproven. Careful control of bandgaps, molar masses and solid-state order combined with the development of new acceptor molecules has led to the fabrication of OPV devices with efficiencies close to 20%, which is better than many commercial solar cells. The commercial viability of OPVs remains to be demonstrated with device lifetimes still needing improvement, but these results combined with the low cost of making and processing conjugated polymers suggests such devices could be competitive with current ones with further optimisation.
Intermediate between PPPs and LPPPs in structure are stepladder polymers in which the monomers contain two or more phenylene units which are connected by one or two atom bridges. The simplest and most widely studied of these are poly(dialkylfluorene)s (PDAFs) whose monomers are biphenyl units linked by one carbon bridges. These were developed as blue-emitting materials, but their emission is unstable due to formation of emissive ketone defects by oxidation of monoalkylfluorene impurities. This problem can be overcome by replacing the alkyl groups with aryl groups or by making the monomers by routes which give only fully dialkylated compounds. The efficiency of the devices can be improved by incorporation of charge-transporting groups, while the emission colour is tunable by incorporation of emissive dye units. The emission from PDAFs is a violet-blue, but pure blue emission has been obtained by making polymers from monomers containing a larger number of linked phenylene rings. Also discussed are the synthesis and properties of other step-ladder polymers such as polycarbazoles which are analogous to PDAFs but contain nitrogen instead of carbon bridges.
Methods for making films of insoluble poly(para-phenylene) (PPP) are described and its potential as a blue-emitting polymer discussed. Efficient methods for making soluble PPP derivatives have been developed but these polymers suffer from undesirable changes in their emission due to twisting of the polymer backbones caused by steric interactions between the solubilising side-chains or by the formation of emissive aggregates in the solid state. To overcome this, ladder-type PPPs (LPPPs) made from precursor polymers have been made and their structure–property relationships and potential utility in devices are discussed. Stable blue emission from LPPPs has proven to be difficult to obtain due to the formation of emissive defects, while their wide bandgaps and unsuitable frontier orbital energies have made them of limited use in other devices.
Unlike standard conjugated polymers which may contain a range of conjugation lengths in their emissive chromophores, polymers can be made in which there are isolated chromophores of identical size and properties. This chapter describes the various types of such polymers that can be made, the routes to their synthesis and their device performances. Their advantages and disadvantages compared to standard polymers are discussed.