Assembly Of Structures Research Articles

Toward Predicting the Assembly of Modular Intermetallics from Chemical Pressure Analysis: The Interface Nucleus Approach.

Complex intermetallic phases are often constructed from domains derived from simpler structures arranged into hierarchical assemblies. These modular arrangements offer intriguing prospects, such as the integration of the properties of distinct compounds into a single material or for the emergence of new properties from the interactions among different domains. In this article, we develop a strategy for the design of such complex structures, which we term the interface nucleus approach. Within this framework, the assembly of complex structures is facilitated by interface nuclei: geometrical motifs shared by two parent structures that serve as a region of overlap to nucleate or seed the formation of a combined structure. Our central hypothesis is that the formation of an interface between structures at these motifs creates opportunities for the relief of atomic packing stresses, as revealed by Density Functional Theory-Chemical Pressure (DFT-CP) analysis: when corresponding interatomic contacts in two structures exhibit complementarity─negative CP with positive CP or intense CP with mild CP─the intergrowth allows for a more balanced packing arrangement. To illustrate the application of the interface nucleus concept, we analyze three modular intermetallic structures, the σ-phase (FeCr), PuNi3, and Ca6Cu6Al5 types. In each case, the assembly of the structure can be connected to complementary CP features in an interface nucleus shared by its parent structures, while the distribution of the interface nuclei in the parents serves to template the geometry of the overall framework. In this way, the interface nucleus approach points toward avenues for the design of modular intermetallics from the CP schemes of potential partner structures.

Study on fracture failure behaviour of sapphire transparent window under ultra-high hydrostatic pressure

ABSTRACT Accurately predicting the fracture damage behaviour of light transmission windows is crucial in the design of deep-sea optoelectronic devices. This study proposes a simulation model based on the exponential cohesive zone law to predict the fracture failure of sapphire transparent windows (STW) under multi-dimensional load conditions. By utilising finite element simulation technology, the model accurately determine the fracture damage morphology and failure location of STW in different assembly structure schemes under a hydrostatic pressure of 127 MPa. These simulation results are then effectively validated through full sea depth pressure test experiments. Furthermore, by analyzing the simulation data, this study uncovers the internal mechanism of the fracture damage process of STW and presents a method to predict the fracture damage of STW. This research enhances the understanding of fracture behaviour in light transmission windows and offers valuable insights for the design and development of deep-sea optoelectronic devices.

Assembly structures of coastal woody species of eastern South America: Patterns and drivers

Tropical regions have provided new insights into how ecological communities are assembled. In dry coastal communities, water stress has been hypothesized to determine plant assembly structure by favoring preadapted lineages from neighboring ecosystems, consistent with functional clustering. However, it is unclear whether this hypothesis is sufficient to explain how coastal communities in tropical ecosystems are assembled. Here, we test whether water stress or other factors drive community assembly in woody plant communities across the coastal zone of Brazil, a tropical ecosystem. We characterized functional and phylogenetic structures of these communities and determined the underlying environmental factors (e.g., water stress, historical climate stability, edaphic constraints, and habitat heterogeneity) that drive their community assembly. Assemblages of coastal woody species show geographically varied patterns, including stochastic arrangements, clustering, and overdispersion of species relative to their traits and phylogenetic relatedness. Topographic complexity, water vapor pressure, and soil nutrient availability best explained the gradient in the functional structure. Water deficit, water vapor pressure, and soil organic carbon were the best predictors of variation in phylogenetic structure. Our results support the water-stress conservatism hypothesis on functional and phylogenetic structure, as well as the effect of habitat heterogeneity on functional structure and edaphic constraints on functional and phylogenetic structure. These effects are associated with increased phenotypic and phylogenetic divergence of woody plant assemblages, which is likely mediated by abiotic filtering and niche opportunities, suggesting a complex pattern of ecological assembly.

Steering Electron-Induced Surface Reaction via a Molecular Assembly Approach.

Electrons not only serve as a "reactant" in redox reactions but also play a role in "catalyzing" some chemical processes. Despite the significance and ubiquitousness of electron-induced chemistry, many related scientific issues still await further exploration, among which is the impact of molecular assembly. In this work, microscopic insights into the vital role of molecular assembly in tweaking the electron-induced surface chemistry are unfolded by combined scanning tunneling microscopy and density functional theory studies. It is shown that the selective dissociation of a C-Cl bond in 4,4″-dichloro-1,1':3',1''-terphenyl (DCTP) on Cu(111) can be efficiently triggered by an electron injection via the STM tip into the unoccupied molecular orbital. The DCTP molecules are embedded in different assembly structures, including its self-assembly and coassemblies with Br adatoms. The energy threshold for the C-Cl bond cleavage increases as more Br adatoms stay close to the molecule, indicative of the sensitive response of the electron-induced surface reactivity of the C-Cl bond to the subtle change in the molecular assembly. Such a phenomenon is rationalized by the energy shift of the involved unoccupied molecular orbital of DCTP that is embedded in different assemblies. These findings shed new light on the tuning effect of molecular assembly on electron-induced reactions and introduce an efficient approach to precisely steer surface chemistry.

Passivating Blunt‐Ended Helices to Control Monodispersity and Multi‐Subunit Assembly of DNA Origami Structures

Passivating Blunt‐Ended Helices to Control Monodispersity and Multi‐Subunit Assembly of DNA Origami Structures

Depletion Strategies for Crystallized Layers of Two-Dimensional Nanosheets to Enhance Lithium-Ion Conductivity in Polymer Nanocomposites.

The assembly of long-range aligned structures of two-dimensional nanosheets (2DNSs) in polymer nanocomposites (PNCs) is in urgent need for the design of nanoelectronics and lightweight energy-storage materials of high conductivity for electricity or heat. These 2DNS are thin and exhibit thermal fluctuations, leading to an intricate interplay with polymers in which entropic effects can be exploited to facilitate a range of different assemblies. In molecular dynamics simulations of experimentally studied 2DNSs, we show that the layer-forming crystallization of 2DNSs is programmable by regulating the strengths and ranges of polymer-induced entropic depletion attractions between pairs of 2DNSs, as well as between single 2DNSs and a substrate surface, by exclusively tuning the temperature and size of the 2DNS. Enhancing the temperature supports the 2DNS-substrate depletion rather than crystallization of 2DNSs in the bulk, leading to crystallized layers of 2DNSs on the substrate surfaces. On the other hand, the interaction range of the 2DNS-2DNS depletion attraction extends further than the 2DNS-substrate attraction whenever the 2DNS size is well above the correlation length of the polymers, which results in a nonmonotonic dependence of the crystallization layer on the 2DNS size. It is demonstrated that the depletion-tuned crystallization layers of 2DNSs contribute to a conductive channel in which individual lithium ions (Li ions) migrate efficiently through the PNCs. This work provides statistical and dynamical insights into the balance between the 2DNS-2DNS and 2DNS-substrate depletion interactions in polymer-2DNS composites and highlights the possibilities to exploit depletion strategies in order to engineer crystallization processes of 2DNSs and thus to control electrical conductivity.

The structure, self-assembly and dynamics of lipid nanodiscs revealed by computational approaches

Nanodisc technology is increasingly being used in structural, biochemical and biophysical studies of membrane proteins. The computational approaches have revealed many important features of nanodisc assembly, structures and dynamics. Therefore, we reviewed the application of computational approaches, especially molecular modeling and molecular dyncamics (MD) simulations, to characterize nanodiscs, including the structural models, assembly and disassembly, protocols for modeling, structural properties and dynamics, and protein-lipid interactions in nanodiscs. More amazing computational studies about nanodiscs are looked forward to in the future.

3D and 4D assembly of functional structures using shape-morphing materials for biological applications.

3D structures are crucial to biological function in the human body, driving interest in their in vitro fabrication. Advances in shape-morphing materials allow the assembly of 3D functional materials with the ability to modulate the architecture, flexibility, functionality, and other properties of the final product that suit the desired application. The principles of these techniques correspond to the principles of origami and kirigami, which enable the transformation of planar materials into 3D structures by folding, cutting, and twisting the 2D structure. In these approaches, materials responding to a certain stimulus will be used to manufacture a preliminary structure. Upon applying the stimuli, the architecture changes, which could be considered the fourth dimension in the manufacturing process. Here, we briefly summarize manufacturing techniques, such as lithography and 3D printing, that can be used in fabricating complex structures based on the aforementioned principles. We then discuss the common architectures that have been developed using these methods, which include but are not limited to gripping, rolling, and folding structures. Then, we describe the biomedical applications of these structures, such as sensors, scaffolds, and minimally invasive medical devices. Finally, we discuss challenges and future directions in using shape-morphing materials to develop biomimetic and bioinspired designs.

A methodology for applying isogeometric inverse finite element method to the shape sensing of stiffened thin-shell structures

The capability of reconstructing the displacement field of a structure based on in-situ strain measurements is referred to as “shape sensing” and constitutes a fundamental unit for the real-time monitoring of critical structural components. The Inverse Finite Element Method (iFEM) is one of the most promising innovative techniques for accomplishing this task. This study explores the application of iFEM in conjunction with Isogeometric Analysis (IGA) for the shape sensing of stiffened thin-shell structures. The use of IGA allows for the exact representation of computational geometry, simplifies mesh refinement, and potentially reduces the number of installed sensors. In the context of IGA, when the geometry of a structure is composed of multiple surfaces, non-conforming interfaces are typically involved. To overcome this issue, we propose an assembly process based on the Lagrange multiplier method to jointly apply iFEM and IGA to shell structures assemblies. The methodology is numerically validated using FEM models both to generate the in-situ strain data and as a comparison for iFEM reconstruction results. The case studies include a T-beam, a reinforced hyperbolic paraboloid, and a wingbox. Convergence analyzes are performed to investigate the shape sensing accuracy as the number of inverse elements increases. Additionally, contour plots of displacement field components are compared with the reference solution, revealing a high degree of agreement.

Reversible Stacking and Delamination-Regulation of MXene via Controlled Freezing.

MXene's configuration, whether it is aggregated or dispersed in a monolayer, determines the specific application areas and even greatly influences the intrinsic properties of MXene. However, how to desirably control MXene's configuration is challenging. Here, a simple, additive-free, chemical reaction-free, and scalable strategy to optionally and reversibly regulate MXene's ordered stacking and delamination of MXene aggregates (AM) is reported. Just by controlled freezing of MXene aqueous dispersions, the aggregation percentage, delamination percentage, and interlayer spacing of AM can be finely tuned. Experimental results reveal that the freezing-induced aggregation and delamination effects can be explained by the squeezing action of growing ice grains on the MXene excluded/concentrated between ice grains and the expanding action caused by the ice formation between AM lamellae, respectively. The dominance between them depends on the freezing parameter-influenced ice nucleation sites, numbers, and ice grain sizes. This work not only contributes to the preparation, storage, and practical applications of MXene, but also opens a new and green avenue for controlling materials' assembly structures.

Mechanism Behind the Programmed Biosynthesis of Heterotrimeric Fungal Depside Thielavin A

AbstractThielavin A (1) is a fungal depside composed of one 3‐methylorsellinic acid and two 3,5‐dimethylorsellinic acid units. It displays diverse biological activities. However, the mechanism underlying the assembly of the heterotrimeric structure of 1 remains to be clarified. In this study, we identified the polyketide synthase (PKS) involved in the biosynthesis of 1. This PKS, designated as ThiA, possesses an unusual domain organization with the C‐methyltransferase (MT) domain situated at the C‐terminus following the thioesterase (TE) domain. Our findings indicated that the TE domain is solely responsible for two rounds of ester bond formation, along with subsequent chain hydrolysis. We identified a plausible mechanism for TE‐catalyzed reactions and obtained insights into how a single PKS can selectively yield a specific heterotrimeric product. In particular, the tandem acyl carrier protein domains of ThiA are critical for programmed methylation by the MT domain. Overall, this study highlighted the occurrence of highly optimized domain–domain communication within ThiA for the selective synthesis of 1, which can advance our understanding of the programming rules of fungal PKSs.

Mechanism Behind the Programmed Biosynthesis of Heterotrimeric Fungal Depside Thielavin A.

Thielavin A (1) is a fungal depside composed of one 3-methylorsellinic acid and two 3,5-dimethylorsellinic acid units. It displays diverse biological activities. However, the mechanism underlying the assembly of the heterotrimeric structure of 1 remains to be clarified. In this study, we identified the polyketide synthase (PKS) involved in the biosynthesis of 1. This PKS, designated as ThiA, possesses an unusual domain organization with the C-methyltransferase (MT) domain situated at the C-terminus following the thioesterase (TE) domain. Our findings indicated that the TE domain is solely responsible for two rounds of ester bond formation, along with subsequent chain hydrolysis. We identified a plausible mechanism for TE-catalyzed reactions and obtained insights into how a single PKS can selectively yield a specific heterotrimeric product. In particular, the tandem acyl carrier protein domains of ThiA are critical for programmed methylation by the MT domain. Overall, this study highlighted the occurrence of highly optimized domain-domain communication within ThiA for the selective synthesis of 1, which can advance our understanding of the programming rules of fungal PKSs.

Quasi-static crush response of lightweight sandwich composite tubes fabricated via newly designed internal thermal expansion technique

Different from conventional unidirectional outward-inward forming methods, this study employs a multidirectional internal expansion shaping approach to fabricate lightweight sandwich composite tubes. Integrating carbon fiber reinforced polymer (CFRP), thermal expansion foam and polymethacrylimide (PMI) foam, the sandwich composite tubes demonstrate adaptability in terms of material properties as validated through several experimental trials. The one-step molding process eliminates the requirements for subsequent structural assembly and bonding, while ensuring adhesion between diverse material components. The sandwich composite tubes exhibit superior impact resistance, showcasing a stable progressive crushing failure. The energy absorption mechanism shifts from single CFRP damage to a multi-material composite energy absorption mode. The specific energy absorption (SEA) value of designed sandwich composite tube is up to 102 J/g. The sandwich composite tubes fabricated in this study hold promising applications in advanced vehicle/aerospace lightweighting and crashworthiness safety.

Research on the Simulation Method for Equivalent Stiffness of Bolted Connection Thin Plate Structures

Bolted connections are widely used in assembly structures, and their dynamic characteristics are often affected by stiffness, damping, excitation, and other factors. In order to solve the problems of low computational efficiency of fine modeling and large computational error of linearized equivalent modeling of bolted structures, this paper proposes a dynamic characteristic parameter identification method for bolted structures based on the multiscale method and considering the influence of nonlinear factors. In this method, the bolted connection characteristics are simulated in the form of a combination of shear stiffness, torsional stiffness, nonlinear stiffness, and viscous damping coefficient and identified according to the test measurement frequency and frequency response function. At the same time, by establishing the nonlinear dynamic model of bolted structure, the influence of different bolt preloads and excitation forces on the dynamic characteristics of bolted structure is studied.

IgG hexamers initiate complement-dependent acute lung injury.

Antibodies can initiate lung injury in a variety of disease states such as autoimmunity, in reactions to transfusions, or after organ transplantation, but the key factors determining in vivo pathogenicity of injury-inducing antibodies are unclear. Harmful antibodies often activate the complement cascade. A model for how IgG antibodies trigger complement activation involves interactions between IgG Fc domains driving the assembly of IgG hexamer structures that activate C1 complexes. The importance of IgG hexamers in initiating injury responses was not clear, so we tested their relevance in a mouse model of alloantibody- and complement-mediated acute lung injury. We used 3 approaches to block alloantibody hexamerization (antibody carbamylation, the K439E Fc mutation, or treatment with domain B from staphylococcal protein A), all of which reduced acute lung injury. Conversely, Fc mutations promoting spontaneous hexamerization made a harmful alloantibody into a more potent inducer of acute lung injury and rendered an innocuous alloantibody pathogenic. Treatment with a recombinant Fc hexamer "decoy" therapeutic protected mice from lung injury, including in a model with transgenic human FCGR2A expression that exacerbated pathology. These results indicate an in vivo role of IgG hexamerization in initiating acute lung injury and the potential for therapeutics that inhibit or mimic hexamerization to treat antibody-mediated diseases.

Prediction of the antigenic regions in eight RhD variants identified by computational biology.

Changes in RHD generate variations in protein structure that lead to antigenic variants. The classical model divides them into quantitative (weak and Del) and qualitative (partial D). There are two types of protein antigens: linear and conformational. Computational biology analyses the theoretical assembly of tertiary protein structures and allows us to identify the 'topological' differences between isoforms. Our aim was to determine the theoretical antigenic differences between weak RhD variants compared with normal RhD based on structural analysis using bioinformatic techniques. We analysed the variations in secondary structures and hydrophobicity of RHD*01, RHD*01W.1, W2, W3, RHD*09.03.01, RHD*09.04, RHD*11, RHD*15 and RHD*21. We then modelled the tertiary structure and calculated their probable antigenic regions, intra-protein interactions, displacement and membrane width and compared them with Rhce. The 10 proteins are similar in their secondary structure and hydrophobicity, with the main differences observed in the exofacial coils. We identified six potential antigenic regions: one that is unique to RhD (R3), one that is common to all D (R6), three that are highly variable among RhD isoforms (R1, R2 and R4), one that they share with Rhce (R5) and two that are unique to Rhce (Ra and Rbc). The alloimmunization capacity of these subjects could be explained by the variability of the antigen pattern, which is not necessarily recognized or recognized with lower intensity by the commercially available antibodies, and not because they have a lower protein concentration in the membrane.

Abstract 2348: A global multiscale map of protein assemblies from integration of protein interactions and images

Abstract Cells regulate growth and function through a hierarchical structure of subcellular protein assemblies, in which alterations can result in cellular dysfunction leading to disease such as cancer. Much of this structure remains uncharted, resulting in recent efforts to map subcellular organization at different physical scales. Here, we report a global architectural map of human cancer cell protein assemblies spanning 10−9 to 10−5 nm, based on integration of near-proteome-wide affinity purification mass spectrometry-based protein interactions and immunofluorescent imaging in U-2 OS osteosarcoma cancer cells. The U-2 OS multi-scale integrated cell map places >5000 proteins into 270 distinct subcellular protein assemblies across biological scales, representing approximately half of expressed proteins. There are known organelles and protein complexes recovered in the map, as well as 152 putative assemblies, such as a putative interferon signaling complex consisting of a serine protease and STAT transcription factors. The map also incorporates 128 previously uncharacterized proteins into protein assemblies, such as C18orf21 association with a canonical RNAse complex. Protein subsystems in the U-2 OS map were evaluated for the potential for downstream integrative structural modeling, where available structural data (e.g. crosslinking, Protein Data Bank structures, AlphaFold predictions) are combined in a Bayesian framework to model the physical structures of protein complexes. Using this framework, we created an integrated structural model of new proteins interacting with the Rag-Ragulator complex, which regulates MAPK and mTOR signaling. In summary, the global proteome architecture map provides a resource for cellular biology discovery and the systematic determination of protein functions and structures. Citation Format: Leah V. Schaffer, Mengzhou Hu, Edward L. Huttlin, Gege Qian, Abantika Pal, Neelesh Soni, Andrew Latham, Laura Pontano Vaites, Trang Le, Yue Qin, Christopher Churas, Dexter Pratt, Ignacia Echeverria, Andrej Sali, J Wade Harper, Steven P. Gygi, Emma Lundberg, Trey Ideker. A global multiscale map of protein assemblies from integration of protein interactions and images [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2024; Part 1 (Regular Abstracts); 2024 Apr 5-10; San Diego, CA. Philadelphia (PA): AACR; Cancer Res 2024;84(6_Suppl):Abstract nr 2348.

Enhanced co-design and evaluation of a collective robotic construction system for the assembly of large-scale in-plane timber structures

Collective robotic construction (CRC) is an emerging approach to construction automation based on the collaboration among teams of small mobile robots. This paper enhances an existing modular CRC system, showcasing its capability to assemble full-scale in-plane timber structures. Utilizing strategies of co-design, the robotic actuators were updated to accommodate material tolerance in the passive building material, timber struts, which they use for locomotion and assemble into structures. A custom effector was also developed to establish architecturally relevant, structural connections between struts. The enhancements address two major challenges in CRC system development: material tolerance and connections. To showcase these research findings and compare with other construction automation systems, a reinforced slab structure was assembled. With a building envelop of 0.485 m3, this is one of the largest structures assembled by a CRC system. As such, the work highlights the potential applicability of CRC in real-world architectural projects.

Impact of climate zones and seasons on indoor airborne microbial communities: Insights from a comprehensive analysis

Bacteria and fungi are ubiquitous throughout built environments and are suspended in the air, potentially affecting human health. However, the impacts of climate zones on the diversity, structure, and stochastic assembly of indoor airborne microbes remain unknown. This study comprehensively analyzed indoor airborne microbes across five climate zones in China during the summer and winter using high-throughput sequencing. The diversity and structure of indoor airborne communities vary across climatic zones. A random forest model was used to identify biomarkers in different climate zones. The results showed no relationship between the biomarkers and their rankings in mean relative abundance. The Sloan neutral model fitting results indicated that the impact of climate zones on the stochastic process in the assembly of indoor airborne microbes was considerably more important than that of seasons. Additionally, the influence of seasons on the diversity, structure, and stochastic assembly process of indoor airborne microbes differed among different climate zones. The diversity, structure, and stochastic assembly processes of bacteria present distinctive outcomes in climate zones and seasons compared with those of fungi. Overall, these findings indicate that customized strategies are necessary to manage indoor airborne microbial communities in each climate zone, season, and for specific microbial species.

Zero-dimensional organic-inorganic hybrid cuprous halide of (C20H20OP)CuCl2 with high anti-water stability

Recently, copper(I)-based metal halides have gained increasing attention due to their diverse structures and desirable optoelectronic properties. Herein, we report a novel zero-dimensional (0D) Cu-based halide (C20H20OP)CuCl2 [C20H20OP+ = (Methoxymethyl)triphenylphosphonium chloride cation], single crystals (SCs) of which were synthesized by a simple solution growth method. The bulk assembly of the periodic 0D structure is formed by the organic cation [C20H20OP]+ surrounding isolated [CuCl2]- units. The (C20H20OP)CuCl2 single crystals emit broadband yellow light upon UV excitation. Similarity to hybrid Br−/I− based copper compounds, as-synthesized compound displays remarkable resistance to water, maintaining its photoluminescence (PL) intensity at over 94% even after being immersed in water for 24 h. This work demonstrates the potential of constructing luminescent materials with high water resistance, which will pave the way for a new approach to developing water-resistant materials based on lead-free metal halides.