Multicomponent Nanomaterials Research Articles

NPCoronaPredict: A Computational Pipeline for the Prediction of the Nanoparticle-Biomolecule Corona.

The corona of a nanoparticle immersed in a biological fluid is of key importance to its eventual fate and bioactivity in the environment or inside live tissues. It is critical to have insight into both the underlying bionano interactions and the corona composition to ensure biocompatibility of novel engineered nanomaterials. A prediction of these properties in silico requires the successful spanning of multiple orders of magnitude of both time and physical dimensions to produce results in a reasonable amount of time, necessitating the development of a multiscale modeling approach. Here, we present the NPCoronaPredict open-source software package: a suite of software tools to enable this prediction for complex multicomponent nanomaterials in essentially arbitrary biological fluids, or more generally any medium containing organic molecules. The package integrates several recent physics-based computational models and a library of both physics-based and data-driven parametrizations for nanomaterials and organic molecules. We describe the underlying theoretical background and the package functionality from the design of multicomponent NPs through to the evaluation of the corona.

4D-printed NiTi auxetic metamaterial with enhanced functionality via deposition of nano-Ni layer

The aerospace and energy conversion industries utilize superelastic metallic metamaterials fabricated by additive manufacturing (AM). Currently, printing samples with “residual particle-free” surfaces requires post-cleaning techniques such as chemical and electrochemical etching. However, the high concentration of stress and cracking near the nodes and sharp edges can cause brittle fracture, strength reduction, and energy absorption. Moreover, topological optimization can significantly increase the weight of a structure. To overcome these challenges, in this study, we utilized the benefits of multicomponent structures and nanomaterials possessing high capillary effects and low melting points. Specifically, a thin layer of nano-Ni was deposited on the surfaces of NiTi auxetic structures printed using micro-Ni–Ti powders. The results showed that high-performance functional structures with reliable surfaces, high strength, high energy absorption, and constant Poisson’s ratios for a given deformation could be achieved. This was attributed to a low stress-induced martensite formed during laser processing and a low residual stress, computed experimentally and by simulations. Although the loss factor or dissipated energy during superelastic cycling was enhanced, the superelastic reproducibility was lowered in the samples fabricated using the developed method. This was attributed to the higher strain hardening and dislocation generation, despite the developed approach resulting in a very high superelastic recovery in the initial cycles. The findings of this study provide a framework for designing high-performance functional structures using AM and nanomaterials for energy-absorbing devices with high resistance to vibration.

Normalised similarity assessment to inform grouping of advanced multi-component nanomaterials by means of an Asymmetric Sigmoid function

This manuscript presents a procedure for similarity assessment as a basis for grouping of multi component nanomaterials (MCNMs). This methodology is an adaptation of the approach by Zabeo et al. (2022), which includes an impactful change: the calculated similarities are normalised in the [0,1] domain by means of asymmetric Logistic scaling to simplify comparisons among properties' distances. This novel approach allows for grouping of nanomaterials that is not affected by the dataset, so that group membership will not change when new candidates are included in the set of assessed materials. It can be applied to assess groups of MCNMs as well as mixed groups of multi and single component nanomaterials as well as chemicals. To facilitate the application of the proposed methodology, a software script was developed by using the Python programming language, which is currently undergoing migration to a user-friendly web-based tool. The presented approach was tested against a real industrial case study provided by the Andalusian Innovation Centre for Sustainable Solution (CIAC): SiO2-ZnO hybrid nanocomposite used in building coatings, which is designed to facilitate photocatalytic removal of NOx gases from the atmosphere. The results of applying the methodology in the case study demonstrated that ZnO is dissimilar from the other candidates mainly due to its different dissolution profiles.

Co/C Nanocomposites with Tunable Condensed States Induced by Conformation-Mediated Strategy for Electromagnetic Wave Absorption.

The strategic regulation of condensed state structures in multicomponent nanomaterials has emerged as an effective approach for achieving controllable electromagnetic (EM) properties. Herein, a novel conformation-mediated strategy is proposed to manipulate the condensed states of Co and C, as well as their interaction. The conformation of polyvinylpyrrolidone molecules is adjusted using a gradient methanol/water ratio, whereby the coordination dynamic equilibrium effectively governs the deposition of metal-organic framework precursors. This process ultimately influences the combined impact of derived Co and C in the resulting Co/C nanocomposites post-pyrolysis. The experimental results show that the condensed state structure of Co/C nanocomposites transitions from agglomerate state → to biphasic compact state → to loose packing state. Benefiting from the tunable collaboration between interfacial polarization and defects polarization, and the appropriate electrical conductivity, the diphasic compact state of Co/C nanocomposites achieves an effective absorbing bandwidth of 7.12GHz (2.1mm) and minimum reflection loss of -32.8dB. This study highlights the significance of condensed state manipulation in comprehensively regulating the EM wave absorption characteristics of carbon-based magnetic metal nanocomposites, encompassing factors such as conductivity loss, magnetic loss, defect polarization, and interface polarization.

Photocatalytic degradation of 4‐nitrophenol by using multicomponent Cu2O‐Cu@TiO2 nanoparticle aggregates

AbstractMulticomponent nanomaterials with synergistic effect were typically used to enhance the photocatalytic performance. Herein, three‐component nanomaterials composed of Cu2O, Cu, and TiO2 were prepared using a facile method, and applied in the photocatalytic degradation reactions. The synthetic procedure involves the formation of Cu2O nanoparticle aggregates (NPAs) followed by Cu nanoparticles growth on the surface of Cu2O NPAs in one pot, and TiO2 encapsulation (Cu2O‐Cu@TiO2). The catalyst structure was characterized by x‐ray diffraction, field emission‐scanning electron microscopy, transmission electron microscopy, and energy‐dispersed x‐ray. The catalytic performance of Cu2O‐Cu@TiO2 NPAs was evaluated through the photocatalytic degradation of 4‐nitrophenol under the simulated solar light. We found that it exhibited greater activity than the Cu2O‐Cu NPAs, commercial TiO2, and Cu2O@TiO2 NPAs, probably due to their synergistic interactions resulting in the effective photogenerated carrier transfer in the multicomponent nanomaterials.

Similarity of multicomponent nanomaterials in a safer-by-design context: the case of core–shell quantum dots

Concepts of similarity applied to complex multicomponent advanced materials for an informed balance of performance and hazard.

Temperature-Dependent Selection of Reaction Pathways, Reactive Species, and Products during Postsynthetic Selenization of Copper Sulfide Nanoparticles.

Rational design of elaborate, multicomponent nanomaterials is important for the development of many technologies such as optoelectronic devices, photocatalysts, and ion batteries. Combination of metal chalcogenides with different anions, such as in CdS/CdSe structures, is particularly effective for creating heterojunctions with valence band offsets. Seeded growth, often coupled with cation exchange, is commonly used to create various core/shell, dot-in-rod, or multipod geometries. To augment this library of multichalcogenide structures with new geometries, we have developed a method for postsynthetic transformation of copper sulfide nanorods into several different classes of nanoheterostructures containing both copper sulfide and copper selenide. Two distinct temperature-dependent pathways allow us to select from several outcomes-rectangular, faceted Cu2-xS/Cu2-xSe core/shell structures, nanorhombuses with a Cu2-xS core, and triangular deposits of Cu2-xSe or Cu2-x(S,Se) solid solutions. These different outcomes arise due to the evolution of the molecular components in solution. At lower temperatures, slow Cu2-xS dissolution leads to concerted morphology change and Cu2-xSe deposition, while Se-anion exchange dominates at higher temperatures. We present detailed characterization of these Cu2-xS-Cu2-xSe nanoheterostructures by transmission electron microscopy (TEM), powder X-ray diffraction, energy-dispersive X-ray spectroscopy, and scanning TEM-energy-dispersive spectroscopy. Furthermore, we correlate the selenium species present in solution with the roles they play in the temperature dependence of nanoheterostructure formation by comparing the outcomes of the established reaction conditions to use of didecyl diselenide as a transformation precursor.

MoS2/SnS/CoS Heterostructures on Graphene: Lattice-Confinement Synthesis and Boosted Sodium Storage.

The development of high-efficiency multi-component composite anode nanomaterials for sodium-ion batteries (SIBs) is critical for advancing the further practical application. Numerous multi-component nanomaterials are constructed typically via confinement strategies of surface templating or three-dimensional encapsulation. Herein, a composite of heterostructural multiple sulfides (MoS2/SnS/CoS) well-dispersed on graphene is prepared as an anode nanomaterial for SIBs, via a distinctive lattice confinement effect of a ternary CoMoSn-layered double-hydroxide (CoMoSn-LDH) precursor. Electrochemical testing demonstrates that the composite delivers a high-reversible capacity (627.6 mA h g-1 after 100 cycles at 0.1 A g-1) and high rate capacity of 304.9 mA h g-1 after 1000 cycles at 5.0 A g-1, outperforming those of the counterparts of single-, bi- and mixed sulfides. Furthermore, the enhancement is elucidated experimentally by the dominant capacitive contribution and low charge-transfer resistance. The precursor-based lattice confinement strategy could be effective for constructing uniform composites as anode nanomaterials for electrochemical energy storage.

Toxicological assessment of pristine and degraded forms of graphene functionalized with MnOx nanoparticles using human in vitro models representing different exposure routes

The development of novel advanced nanomaterials (NMs) with outstanding characteristics for their use in distinct applications needs to be accompanied by the generation of knowledge on their potential toxicological impact, in particular, that derived from different occupational risk exposure routes, such as inhalation, ingestion, and skin contact. The harmful effects of novel graphene-metal oxide composites on human health are not well understood, many toxicological properties have not been investigated yet. The present study has evaluated several toxicological effects associated with graphene decorated with manganese oxide nanoparticles (GNA15), in a comparative assessment with those induced by simple graphene (G2), on human models representing inhalation (A549 cell line), ingestion (HT29 cell line) and dermal routes (3D reconstructed skin). Pristine and degraded forms of these NMs were included in the study, showing to have different physicochemical and toxicological properties. The degraded version of GNA15 (GNA15d) and G2 (G2d) exhibited clear structural differences with their pristine counterparts, as well as a higher release of metal ions. The viability of respiratory and gastrointestinal models was reduced in a dose-dependent manner in the presence of both GNA15 and G2 pristine and degraded forms. Besides this, all NMs induced the production of reactive oxygen species (ROS) in both models. However, the degraded forms showed to induce a higher cytotoxicity effect. In addition, we found that none of the materials produced irritant effects on 3D reconstructed skin when present in aqueous suspensions. These results provide novel insights into the potentially harmful effects of novel multicomponent NMs in a comprehensive manner. Furthermore, the integrity of the NMs can play a role in their toxicity, which can vary depending on their composition and the exposure route.

Strain and Surface Engineering of Multicomponent Metallic Nanomaterials with Unconventional Phases.

Multicomponent metallic nanomaterials with unconventional phases show great prospects in electrochemical energy storage and conversion, owing to unique crystal structures and abundant structural effects. In this review, we emphasize the progress in the strain and surface engineering of these novel nanomaterials. We start with a brief introduction of the structural configurations of these materials, based on the interaction types between the components. Next, the fundamentals of strain, strain effect in relevant metallic nanomaterials with unconventional phases, and their formation mechanisms are discussed. Then the progress in surface engineering of these multicomponent metallic nanomaterials is demonstrated from the aspects of morphology control, crystallinity control, surface modification, and surface reconstruction. Moreover, the applications of the strain- and surface-engineered unconventional nanomaterials mainly in electrocatalysis are also introduced, where in addition to the catalytic performance, the structure-performance correlations are highlighted. Finally, the challenges and opportunities in this promising field are prospected.

Multicomponent mixed metallic hierarchical ZnNi@Ni@PEDOT arrayed structures as advanced electrode for high-performance hybrid electrochemical cells

Engineering multicomponent nanomaterials as an electrode with rationalized ordered structures is a promising strategy for fulfilling the high-energy storage needs of supercapacitors (SCs). Even now, the fundamental barrier to utilizing hydroxides/hydroxyl carbonates is their poor electrochemical performance, resulting from the significantly poor electrical conductivity and sluggish charge storage kinetics. Hence, a multilayered structural approach is primarily and successfully used to construct electrodes as one of the efficient approaches. This method has made it possible to develop well-ordered nanostructured electrodes with good performance by taking advantage of tunable approach parameters. Herein, we report the design of multilayered heterostructure porous zinc-nickel nanosheets@nickel flakes hydroxyl carbonates and/or hydroxides integrated with conductive PEDOT fibrous network (i.e., ZnNi@Ni@PEDOT) via facile synthesis methods. The combined hybrid electrode acquires the features of high electrical conductivity from one part and various valance states from another one to develop a well-organized nanosheet/flake/fibrous-like heterostructure with decent mechanical strength, creating robust synergistic results. Thus, the designed binder-free ZnNi@Ni@PEDOT electrode delivers a high areal capacity value of 1050.1 µA h cm−2 at 3 mA cm−2 with good cycling durability, significantly outperforming other individual electrodes. Moreover, its feasibility is also tested by constructing a hybrid electrochemical cell (HEC). The assembled HEC exhibits a high areal capacity value of 783.8 µA h cm−2 at 5 mA cm−2, and even at a high current density of 100 mA cm−2 (484.6 µA h cm−2), the device still retains a rate capability of 61.82%. Also, the HEC shows maximum energy and power densities of 0.595 mW h cm−2 and 77.23 mW cm−2, respectively, along with good cycling stability. The obtained energy storage capabilities effectively power various electronic components. These results provide a viable and practical way to construct a positive electrode with innovative heterostructures for high-performance energy storage devices and profoundly influence the development of electrochemical SCs.

Energy Partitioning in Multicomponent Nanoscintillators for Enhanced Localized Radiotherapy.

Multicomponent nanomaterials consisting of dense scintillating particles functionalized by or embedding optically active conjugated photosensitizers (PSs) for cytotoxic reactive oxygen species (ROS) have been proposed in the last decade as coadjuvant agents for radiotherapy of cancer. They have been designed to make scintillation-activated sensitizers for ROS production in an aqueous environment under exposure to ionizing radiations. However, a detailed understanding of the global energy partitioning process occurring during the scintillation is still missing, in particular regarding the role of the non-radiative energy transfer between the nanoscintillator and the conjugated moieties which is usually considered crucial for the activation of PSs and therefore pivotal to enhance the therapeutic effect. We investigate this mechanism in a series of PS-functionalized scintillating nanotubes where the non-radiative energy transfer yield has been tuned by control of the intermolecular distance between the nanotube and the conjugated system. The obtained results indicate that non-radiative energy transfer has a negligible effect on the ROS sensitization efficiency, thus opening the way to the development of different architectures for breakthrough radiotherapy coadjutants to be tested in clinics.

92 In Vitro Cytokinesis Block Micronucleus (CBMN) Assay to Evaluate the Genotoxicity of Multicomponent Nanomaterials – a Tiered Testing Approach

Abstract The development of nanomaterials has seen exponential growth in the last two decades and, more recently, of complex multicomponent nanomaterials (MCNM), which represent challenges for human hazard testing. This study aims to determine exposure-dose-response relationships and the potential human hazard of industrially relevant MCNMs with a tiered testing approach. Tier1 is a simple in vitro assay, while Tier2 is a more complex in vitro model suitable for mimicking inhalation exposure. The intent was to explore the differences between the complexity of the assays and the genotoxicity response. The cytotoxic and genotoxic potential of selected MCNMs were evaluated with an OECD-approved in vitro Tier1 testing approach with nano-specific modifications. Chromosomal breakage (genotoxicity) was measured with the in vitro cytokinesis-blocked micronucleus (CBMN) assay alongside relative population doubling (RPD) to assess cytotoxicity. For Tier1 testing, the CBMN assay was performed on human lymphoblastoid (TK6) cells; a co-culture of lung epithelial cells (A549) and monocytes (d-THP-1) was utilised for Tier2 genotoxicity testing. MCNMs from four industrially-relevant case studies were analysed. Some materials demonstrated differences in the dose-response relationship between the core components and the MCNM when using Tier1 in vitro tests, suggesting a synergistic effect when the materials were combined. These results are compared across the tier testing system to determine if advanced culture models can provide more physiologically relevant data as compared to standard in vitro systems. This research has received funding from the European Union’s Horizon 2020 research and innovation programme for the SUNSHINE project under grant agreement No 952924.

36 An Investigation into Mechanisms Responsible for (geno)Toxicity Induced by Exposure to Industrially-Relevant Multi-Component Nanomaterials and high Aspect Ratio Nanomaterials

Abstract Production and application of multi-component nanomaterials (MCNMs) and high aspect ratio nanomaterials (HARN) has raised questions as to their inhalation risk. A PRISMA-orientated systematic literature review indicated a key knowledge gap related to the (geno)toxicity of metal oxide MCNMs and HARN. The aim of this study was to conduct a mechanistic-based toxicology assessment of a number of industrially-relevant MCNMs and HARN materials, in order to fill this knowledge gap and provide vital hazard assessment towards these materials’ safe and sustainable design. A549 monocultures (2.5x105), and A549/dTHP-1 co-cultures (1:10) were seeded in 12-well transwell-membranes at the air-liquid interface. Cell cultures were exposed, via aerosol, to Printex90, LaCo0.5Ni0.05O3, LaCo0.475Ni0.475Pt0.05O3, LaCo0.475Ni0.475Pd0.05O3, LaCo0.25Ni0.75O3, LaNiO3, NiZnFe4O8, ZnFe2O4, and NiFe2O4 to human exposure-relevant concentrations of 390, 780, 3100 ng/cm2 (24hrs). Aerosolised MCNM and HARN were characterised following acellular deposition via electron microscopy. Cellular cytotoxicity, barrier integrity, (pro)inflammatory/fibrotic response, oxidative stress and mutagenicity/DNA damage was assessed. Results indicate barrier integrity and IL-8 production were unaffected by Printex90, LaCo0.5Ni0.05O3, and ZnFe2O4 exposure. A dose-dependent increase in micronucleus frequency was observed for these four materials. Investigations are continuing to determine the mechanisms associated with this noted genotoxic effect, as well as upon further MCNMs/HARN (i.e. Fe2CoO4(Fe1/Co3), Silica-Ref-Std). Emphasis is being placed upon elucidating specific structure-activity relationships for each MCNM/HARN by testing specific key events of inhalation-based adverse outcome pathways relevant to the in vitro models used. This project was funded by EU H2020 research and innovation programme, grant agreement No. 953183 (HARMLESS).

140 A Framework for Grouping Inhaled Multi-Component Nanomaterials to Streamline Hazard Assessment

Abstract The GRACIOUS Framework (www.h2020gracious.eu) supports the grouping of nanomaterials to streamline hazard testing of nanomaterials. The GRACIOUS Framework includes a template to generate grouping hypotheses based upon use and life cycle stage (to inform exposure route), physicochemical properties (what they are), fate or toxicokinetics (where they go) and hazard (what they do). The gathering of evidence to test these hypotheses was supported by tailored Integrated Approaches to Testing and Assessment (IATAs). Subsequent NMBP-16 projects have developed the hypothesis template further for multicomponent nanomaterials. Modifications include additional information requirements to accommodate the complexity of composition (what they are) and enhanced properties, with an aim to incorporate the relationship of these to the mechanism of hazard. Furthermore, the template considers potential for the components to dissociate, disintegrate or dissolve, with different kinetics, leading to a complex exposure scenario both in lung lining fluid and inside cells. This knowledge informs the hazard assessment (whether hazard is driven by the intact multicomponent nanomaterial or various components) and whether interactions between the components may lead to antagonism, synergism or potentiation of response. Hazard assessment outcome can then inform Safe-by-Design modifications. The template has been adapted to formulate clear questions needed to test all aspects of the hypothesis, with these questions being used to formulate the IATA. Case studies of different multicomponent nanomaterials are being used to inform the design process, and demonstrate its usefulness. Funding acknowledgement European Commission Horizon 2020 for GRACIOUS, SUNSHINE, HARMLESS and DIAGONAL, Grant Agreement No. 760840, 952924, 953183 953152 respectively.

4 An Introduction to the Sunshine Project Investigating the Risk Assessment of Multicomponent Nanomaterials.

Abstract Multicomponent nanomaterials (MCNM), sometimes called nanohybrids, are advanced materials receiving increased interest in their novel or enhanced properties. Research into MCNM is in its infancy meaning that little is known about their hazard, risk or whether there is regulatory preparedness for their increased use. SUNSHINE is an industry-oriented project, where leading research and technology organisations will cooperate with SMEs and large industries to develop and implement simple, robust, and cost-effective Safe and Sustainable by Design (SSbD) strategies for materials and products incorporating advanced multi-component nanomaterials. This presentation will introduce the key elements in the project including investigations into whether existing characterisation and toxicology testing protocols are applicable and whether existing regulatory frameworks are fit for purpose for these complex structures. It will also introduce how MCNM are being used as a case study for the use of the Safe and Sustainable by Design framework. SUNSHINE project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 952924.

A versatile multimodal chromatography strategy to rapidly purify protein nanostructures assembled in cell lysates

BackgroundProtein nanostructures produced through the self-assembly of individual subunits are attractive scaffolds to attach and position functional molecules for applications in biomaterials, metabolic engineering, tissue engineering, and a plethora of nanomaterials. However, the assembly of multicomponent protein nanomaterials is generally a laborious process that requires each protein component to be separately expressed and purified prior to assembly. Moreover, excess components not incorporated into the final assembly must be removed from the solution and thereby necessitate additional processing steps.ResultsWe developed an efficient approach to purify functionalized protein nanostructures directly from bacterial lysates through a type of multimodal chromatography (MMC) that combines size-exclusion, hydrophilic interaction, and ion exchange to separate recombinant protein assemblies from excess free subunits and bacterial proteins. We employed the ultrastable filamentous protein gamma-prefoldin as a material scaffold that can be functionalized with a variety of protein domains through SpyTag/SpyCatcher conjugation chemistry. The purification of recombinant gamma-prefoldin filaments from bacterial lysates using MMC was tested across a wide range of salt concentrations and pH, demonstrating that the MMC resin is robust, however the optimal choice of salt species, salt concentration, and pH is likely dependent on the protein nanostructure to be purified. In addition, we show that pre-processing of the samples with tangential flow filtration to remove nucleotides and metabolites improves resin capacity, and that post-processing with Triton X-114 phase partitioning is useful to remove lipids and any remaining lipid-associated protein. Subsequently, functionalized protein filaments were purified from bacterial lysates using MMC and shown to be free of unincorporated subunits. The assembly and purification of protein filaments with varying amounts of functionalization was confirmed using polyacrylamide gel electrophoresis, Förster resonance energy transfer, and transmission electron microscopy. Finally, we compared our MMC workflow to anion exchange chromatography with the purification of encapsulin nanocompartments containing a fluorescent protein as a cargo, demonstrating the versatility of the protocol and that the purity of the assembly is comparable to more traditional procedures.ConclusionsWe envision that the use of MMC will increase the throughput of protein nanostructure prototyping as well as enable the upscaling of the bioproduction of protein nanodevices.Graphic

MOF-Derived Defective Co3O4 Nanosheets in Carbon Nitride Nanocomposites for CO2 Photoreduction and H2 Production

In photocatalysis, especially in CO2 reduction and H2 production, the development of multicomponent nanomaterials provides great opportunities to tune many critical parameters toward increased activity. This work reports the development of tunable organic/inorganic heterojunctions comprised of cobalt oxides (Co3O4) of varying morphology and modified carbon nitride (CN), targeting on optimizing their response under UV-visible irradiation. MOF structures were used as precursors for the synthesis of Co3O4. A facile solvothermal approach allowed the development of ultrathin two-dimensional (2D) Co3O4 nanosheets (Co3O4-NS). The optimized CN and Co3O4 structures were coupled forming heterojunctions, and the content of each part was optimized. Activity was significantly improved in the nanocomposites bearing Co3O4-NS compared with the corresponding bulk Co3O4/CN composites. Transient absorption spectroscopy revealed a 100-fold increase in charge carrier lifetime on Co3O4-NS sites in the composite compared with the bare Co3O4-NS. The improved photocatalytic activity in H2 production and CO2 reduction is linked with (a) the larger interface imposed from the matching 2D structure of Co3O4-NS and the planar surface of CN, (b) improvements in charge carrier lifetime, and (c) the enhanced CO2 adsorption. The study highlights the importance of MOF structures used as precursors in forming advanced materials and the stepwise functionalization of the individual parts in nanocomposites for the development of materials with superior activity.

A structure-activity approach towards the toxicity assessment of multicomponent metal oxide nanomaterials.

The increase of human and environmental exposure to engineered nanomaterials (ENMs) due to the emergence of nanotechnology has raised concerns over their safety. The challenging nature of in vivo and in vitro toxicity assessment methods for ENMs, has led to emerging in silico techniques for ENM toxicity assessment, such as structure-activity relationship (SAR) models. Although such approaches have been extensively developed for the case of single-component nanomaterials, the case of multicomponent nanomaterials (MCNMs) has not been thoroughly addressed. In this paper, we present a SAR approach for the case metal and metal oxide MCNMs. The developed SAR framework is built using a dataset of 796 individual toxicity measurements for 340 different MCNMs, towards human cells, mammalian cells, and bacteria. The novelty of the approach lies in the multicomponent nature of the nanomaterials, as well as the size, diversity and heterogeneous nature of the dataset used. Furthermore, the approach used to calculate descriptors for surface loaded MCNMs, and the mechanistic insight provided by the model results can assist the understanding of MCNM toxicity. The developed models are able to correctly predict the toxic class of the MCNMs in the heterogeneous dataset, towards a wide range of human cells, mammalian cells and bacteria. Using the abovementioned approach, the principal toxicity pathways and mechanisms are identified, allowing a more holistic understanding of metal oxide MCNM toxicity.

Construction of viral protein-based hybrid nanomaterials mediated by a macromolecular glue.

A generic strategy to construct virus protein-based hybrid nanomaterials is reported by using a macromolecular glue inspired by mussel adhesion. Commercially available poly(isobutylene-alt-maleic anhydride) (PiBMA) modified with dopamine (PiBMAD) is designed as this macromolecular glue, which serves as a universal adhesive material for the construction of multicomponent hybrid nanomaterials. As a proof of concept, gold nanorods (AuNRs) and single-walled carbon nanotubes (SWCNTs) are initially coated with PiBMAD. Subsequently, viral capsid proteins from the Cowpea Chlorotic Mottle Virus (CCMV) assemble around the nano-objects templated by the negative charges of the glue. With virtually unchanged properties of the rods and tubes, the hybrid materials might show improved biocompatibility and can be used in future studies toward cell uptake and delivery.