Serum heat inactivation diminishes ApoE-mediated uptake of D-Lin-MC3-DMA lipid nanoparticles

• Demian van Straten,
• Luuk van de Schepop,
• Rowan Frunt,
• Pieter Vader and
• Raymond M. Schiffelers

Beilstein J. Nanotechnol. 2025, 16, 740–748, doi:10.3762/bjnano.16.57

• proteins, forms on its surface. This so-called protein corona significantly affects the physicochemical properties of the nanoparticle, such as size, charge and stability [2][3][4][5]. In turn, the composition of the protein corona is influenced by the physicochemical properties of the pristine

• supplemented with HI or NHI FCS. Uptake by cells cultured in medium with HI FCS supplemented with 1 µg/mL recombinant ApoE3 was included as positive control. An overview of the physicochemical characteristics of the LNP formulations can be found in Supporting Information File 1 (Figure S1). Three cell lines

• < 0.05 and were annotated as ns = non-significant, * = p ≤ 0.05, ** = p ≤ 0.01, *** = p ≤ 0.001 and **** = p ≤ 0.0001. Supporting Information Supporting Information File 26: Physicochemical characteristics of MC3 and C12 LNPs. Acknowledgements The graphical abstract was generated in Microsoft

Colloidal few layered graphene–tannic acid preserves the biocompatibility of periodontal ligament cells

• Teissir Ben Ammar,
• Naji Kharouf,
• Dominique Vautier,
• Housseinou Ba,
• Nivedita Sudheer,
• Philippe Lavalle and
• Vincent Ball

Beilstein J. Nanotechnol. 2025, 16, 664–677, doi:10.3762/bjnano.16.51

• synthesized through a straightforward, bio-based methodology. Physicochemical characterizations elucidated the structural and morphological attributes of the biocomposite. By incorporating antioxidant TA molecules onto the FLG surface, the biocomposite dynamically mitigated reactive oxygen species

• effective strategy for enhancing their intrinsic antioxidant properties. Herein we report the synthesis of a biocompatible FLG–TA colloidal system with dual functionality. First, we examine whether TA enables the formation of a stable FLG–TA colloid; thus, various physicochemical characterizations were

• Previous findings have shown that TA modifies the physicochemical and structural characteristics of GBMs [33]. The previously observed preservation of metabolic activity in FLG–TA likely stems from two main factors. First, the biocomposite’s ability to protect cells from ROS, which can originate from

Aprepitant-loaded solid lipid nanoparticles: a novel approach to enhance oral bioavailability

• Mazhar Hussain,
• Muhammad Farooq,
• Muhammad Asad Saeed,
• Muhammad Ijaz,
• Sherjeel Adnan,
• Zeeshan Masood,
• Muhammad Waqas,
• Wafa Ishaq and
• Nabeela Ameer

Beilstein J. Nanotechnol. 2025, 16, 652–663, doi:10.3762/bjnano.16.50

• analysis. APT-loaded SLNs were prepared by the precipitation method and characterized by physicochemical studies including particle size and zeta potential measurements, drug content, encapsulation efficiency and solubility studies, Fourier-transform infrared spectroscopy (FTIR), scanning electron

• , or applying cyclodextrin complexation or salt formation. However, these techniques depend on the physicochemical features of the drug in each case. SLNs are the easiest and most suitable scalable of the above approaches for developing stable commercially viable dosage forms [11]. Various methods such

• , and zeta potential measurements. Also Fourier-transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), solubility, in vitro dissolution, and in vivo and stability studies were carried out. Result and Discussion Physicochemical evaluation The solubility of APT in the SLNs was 24-fold higher

A formulation containing Cymbopogon flexuosus essential oil: improvement of biochemical parameters and oxidative stress in diabetic rats

• Ailton Santos Sena-Júnior,
• Cleverton Nascimento Santana Andrade,
• Pedro Henrique Macedo Moura,
• Jocsã Hémany Cândido dos Santos,
• Cauãn Torres Trancoso,
• Eloia Emanuelly Dias Silva,
• Deise Maria Rego Rodrigues Silva,
• Ênio Pereira Telles,
• Luiz André Santos Silva,
• Isabella Lima Dantas Teles,
• Sara Fernanda Mota de Almeida,
• Daniel Alves de Souza,
• Jileno Ferreira Santos,
• Felipe José Aidar Martins,
• Ana Mara de Oliveira e Silva,
• Sandra Lauton-Santos,
• Guilherme Rodolfo Souza de Araujo,
• Cristiane Bani Correa,
• Rogéria De Souza Nunes,
• Lysandro Pinto Borges and
• Ana Amélia Moreira Lira

Beilstein J. Nanotechnol. 2025, 16, 617–636, doi:10.3762/bjnano.16.48

• and one NTS were also obtained. Among the TLS, point 7 (M7-EOCF) was selected for subsequent tests, as it had the lowest amount of surfactants and the highest proportion of water in its composition. Physicochemical characterization of the selected system Some parameters are fundamental for

• containing 10% EOCF were then prepared individually (Table 1), and the dispersions were evaluated macroscopically and characterized 48 h after they were obtained. Physicochemical characterization of the selected microemulsions The polydispersity index and average hydrodynamic radius of the droplets were

Polyurethane/silk fibroin-based electrospun membranes for wound healing and skin substitute applications

• Iqra Zainab,
• Zohra Naseem,
• Syeda Rubab Batool,
• Muhammad Waqas,
• Ahsan Nazir and
• Muhammad Anwaar Nazeer

Beilstein J. Nanotechnol. 2025, 16, 591–612, doi:10.3762/bjnano.16.46

• antibacterial properties of PU nanofibrous membranes [162]. PU/gelatin and PU/cobalt nitrate were used to create mixed nanofibers scaffolds used to develop wound dressings [162][163]. It was shown that cobalt nitrate added to the PU wound dressing resulted in improved physicochemical properties, blood

Nanomaterials in targeting amyloid-β oligomers: current advances and future directions for Alzheimer's disease diagnosis and therapy

• Shiwani Randhawa,
• Trilok Chand Saini,
• Manik Bathla,
• Rahul Bhardwaj,
• Rubina Dhiman and
• Amitabha Acharya

Beilstein J. Nanotechnol. 2025, 16, 561–580, doi:10.3762/bjnano.16.44

• detection and treatment of AβOs in AD. Because of their nanoscale size, NMs can interact with biological systems in ways that traditional treatments cannot. Their unique properties such as high surface area, quantum effects, and specific physicochemical traits make them ideal for developing advanced

• physicochemical properties, diverse structural forms, and potential applications in combating NDs. The unique characteristics of CNMs, including their hydrophobic surfaces and variable dimensions, enable them to interact effectively with biomolecules, making them valuable tools in biomedical research and

Functionalized gold nanoflowers on carbon screen-printed electrodes: an electrochemical platform for biosensing hemagglutinin protein of influenza A H1N1 virus

• Carlos Enrique Torres-Méndez,
• Sharmilee Nandi,
• Klara Martinovic,
• Patrizia Kühne,
• Yifan Liu,
• Sam Taylor,
• Maria Lysandrou,
• Maria Ines Berrojo Romeyro Mascarenhas,
• Viktoria Langwallner,
• Javier Enrique Sebastián Alonso,
• Ivana Jovanovic,
• Maike Lüftner,
• Georgia-Vasiliki Gkountana,
• David Bern,
• Abdul-Raouf Atif,
• Ehsan Manouchehri Doulabi,
• Gemma Mestres and
• Masood Kamali-Moghaddam

Beilstein J. Nanotechnol. 2025, 16, 540–550, doi:10.3762/bjnano.16.42

• infected patients at an early stage to improve treatment options, recovery time, and economic cost. Biosensors are widely used to detect and quantify different analytes. They incorporate a biorecognition element for detection of the analyte of interest in a sample and a physicochemical transducer to

Effect of additives on the synthesis efficiency of nanoparticles by laser-induced reduction

• Rikuto Kuroda,
• Takahiro Nakamura,
• Hideki Ina and
• Shuhei Shibata

Beilstein J. Nanotechnol. 2025, 16, 464–472, doi:10.3762/bjnano.16.35

• Rikuto Kuroda Takahiro Nakamura Hideki Ina Shuhei Shibata illuminus Inc., 307 Wako Riken Incubation Plaza, 2–3–13, Minami, Wako, Saitama, 351–0104, Japan 10.3762/bjnano.16.35 Abstract Laser-induced reduction in liquid (LRL) is a physicochemical technique for synthesizing nanoparticles by

Synthetic-polymer-assisted antisense oligonucleotide delivery: targeted approaches for precision disease treatment

• Ana Cubillo Alvarez,
• Dylan Maguire and
• Ruairí P. Brannigan

Beilstein J. Nanotechnol. 2025, 16, 435–463, doi:10.3762/bjnano.16.34

• activity of a series of transferrin-conjugated LPNs with varied physicochemical properties, designed to deliver a phosphorothioate ASO targeting ribonucleotide nuclease R1 [114]. Experimental and in vitro studies indicated that optimal biostability and cytocompatibility were achieved with particles bearing

• process of PPI-Mal G4 and PPI-Mal-III G4 dendrimers conjugated with multiple anti-HIV ASOs. Dendriplexes with diverse sizes and morphologies, including 1D rod-like and 3D diamond-shaped structures, were successfully prepared by altering the physicochemical properties of the carriers and the

Engineered PEG–PCL nanoparticles enable sensitive and selective detection of sodium dodecyl sulfate: a qualitative and quantitative analysis

• Soni Prajapati and
• Ranjana Singh

Beilstein J. Nanotechnol. 2025, 16, 385–396, doi:10.3762/bjnano.16.29

• sulfate group, with sodium as the counter-ion. The amphiphilic structure of SDS, integrating a hydrophobic alkyl chain and a hydrophilic headgroup, confers unique physicochemical properties that are leveraged in various applications. However, the widespread use of SDS in different applications led to the

• manipulation of particles with a size less than 100 nm. These tiny particles possess unique physicochemical features, including optical, electrical, magnetic, and catalytic properties [23]. Indeed, the advanced properties of nanoparticles enables them to be used in different areas, such as biosensing, drug

• . Characterization of PEG–PCL nanoparticles The synthesized PEG–PCL nanoparticles were characterized by their unique physicochemical properties, such as size and surface charge. The average hydrodynamic size, monodispersity, and surface charge of the nanoparticles were measured using the ZetaSizer (Nano ZS, Malvern

Graphene oxide–chloroquine conjugate induces DNA damage in A549 lung cancer cells through autophagy modulation

• Braham Dutt Arya,
• Sandeep Mittal,
• Prachi Joshi,
• Alok Kumar Pandey,
• Jaime E. Ramirez-Vick,
• Govind Gupta and
• Surinder P. Singh

Beilstein J. Nanotechnol. 2025, 16, 316–332, doi:10.3762/bjnano.16.24

• oxidative stress and autophagy modulation [14]. Graphene oxide (GO) due to its unique physicochemical properties has attracted vast scientific attention as an efficient drug delivery carrier and modulator of biological activities, including autophagy, DDR, and intracellular transportation of therapeutics

Fabrication and evaluation of BerNPs regarding the growth and development of Streptococcus mutans

• Tuyen Huu Nguyen,
• Hong Thanh Pham,
• Kieu Kim Thanh Nguyen,
• Loan Hong Ngo,
• Anh Ngoc Tuan Mai,
• Thu Hoang Anh Lam,
• Ngan Thi Kim Phan,
• Dung Tien Pham,
• Duong Thuy Hoang,
• Thuc Dong Nguyen and
• Lien Thi Xuan Truong

Beilstein J. Nanotechnol. 2025, 16, 308–315, doi:10.3762/bjnano.16.23

• prepared using a wet-milling method with zirconium balls to enhance bioavailability and expand potential applications. The particle size and physicochemical properties of the BerNPs were analyzed using field-emission scanning electron microscopy (FE-SEM), UV–vis spectroscopy, X-ray diffraction, and Fourier

• . Powder BerNPs were obtained by the freeze-drying for 48 h at −55 °C under vacuum. Physicochemical characterization of BerNPs The specific adsorption peak of BerNPs was determined by UV–vis absorption spectroscopy in a wavelength range from 200 to 600 nm after dilution in methanol. The berberine

Emerging strategies in the sustainable removal of antibiotics using semiconductor-based photocatalysts

• Yunus Ahmed,
• Keya Rani Dutta,
• Parul Akhtar,
• Md. Arif Hossen,
• Md. Jahangir Alam,
• Obaid A. Alharbi,
• Hamad AlMohamadi and
• Abdul Wahab Mohammad

Beilstein J. Nanotechnol. 2025, 16, 264–285, doi:10.3762/bjnano.16.21

• such as V2O5, W2O3, Mo2O3, and TiO2. BiVO4 is a newly designed n-type semiconductor with enhanced photocatalytic efficiency. This is attributed to its specific physicochemical features, including ferro-elasticity and ionic conductivity [90]. Regrettably, bismuth-based metal oxides exhibit a low light

• -based materials Graphitic carbon nitride (g-C3N4) is a metal-free semiconductor material with distinct optical, electrical, structural, and physicochemical characteristics [99]. These properties make it well-suited for applications in energy and environmental fields. Because of its narrow bandgap of 2.7

• aqueous solutions, WO3 is mechanically strong and physiochemically stable, and the synthesis of high-purity WO3 is a good option for the degradation of antibiotics under solar light irradiation [114]. WO3 is a catalyst that responds to visible light and has consistent physicochemical properties because of

Radiosensitizing properties of dual-functionalized carbon nanostructures loaded with temozolomide

• Radmila Milenkovska,
• Nikola Geskovski,
• Dushko Shalabalija,
• Ljubica Mihailova,
• Petre Makreski,
• Dushko Lukarski,
• Igor Stojkovski,
• Maja Simonoska Crcarevska and
• Kristina Mladenovska

Beilstein J. Nanotechnol. 2025, 16, 229–251, doi:10.3762/bjnano.16.18

• physicochemical characterization, including the formulations exposed to irradiation under the same conditions. For physicochemical characterization of the formulations, different techniques were used by which successful functionalization of the CNs and TMZ loading were confirmed and visualized; no significant

• surface on a larger scale. For the irradiated CNs, lower values for particle size, more positive values for surface charge, and accelerated TMZ release were observed, which could be explained by changes in the physicochemical characteristics of the prepared formulations upon irradiation. Significant

• a matter of increasing importance in the field of neurology, neuro-oncology, and neuropharmacology. This is because of their specific intrinsic physicochemical, biopharmaceutical, and pharmacological properties such as good bioavailability, relatively low toxicity, low weight and large surface area

Nanocarriers and macrophage interaction: from a potential hurdle to an alternative therapeutic strategy

• Naths Grazia Sukubo,
• Paolo Bigini and
• Annalisa Morelli

Beilstein J. Nanotechnol. 2025, 16, 97–118, doi:10.3762/bjnano.16.10

• affect NP internalization. They actively engulf NCs and accelerate their clearance, acting differentially in a time-dependent manner and altering the fate of nanomaterials [26]. In addition to immune-related barriers, the physicochemical properties of the nanomaterial itself can impair the NCs’ ability

• uptake and enabling the endosomal escape To improve the efficacy of NC-based drug delivery systems, it is crucial to develop strategies that reduce macrophage uptake and extend NC circulation time. This could be achieved by acting on NCs exploiting alternative administration routes or physicochemical

• ]. NCs enhance the delivery of biological therapeutics, and endosomal escape can be controlled by tuning their structure and physicochemical properties. For example, NCs designed with “proton sponge” capability contain materials that adsorb and buffer protons under acidic conditions and, typically, have

Instance maps as an organising concept for complex experimental workflows as demonstrated for (nano)material safety research

• Benjamin Punz,
• Maja Brajnik,
• Joh Dokler,
• Jaleesia D. Amos,
• Litty Johnson,
• Katie Reilly,
• Anastasios G. Papadiamantis,
• Amaia Green Etxabe,
• Lee Walker,
• Diego S. T. Martinez,
• Steffi Friedrichs,
• Klaus M. Weltring,
• Nazende Günday-Türeli,
• Claus Svendsen,
• Christine Ogilvie Hendren,
• Mark R. Wiesner,
• Martin Himly,
• Iseult Lynch and
• Thomas E. Exner

Beilstein J. Nanotechnol. 2025, 16, 57–77, doi:10.3762/bjnano.16.7

• physicochemical characterisation, which is often done in parallel to toxicity testing, a work-around solution was proposed, whereby projects could assign a unique identifier to their batches of nanomaterials via the European Registry of Nanomaterials [24] and add the characterisation data later, thus enabling

• . The material and medium categories are used to describe the instance. A physical or chemical change to the nanomaterial that (potentially) alters the physicochemical or biological properties of the material results in a new instance. An instance map then represents a flow chart of the nanomaterial

• not limited to) some or all of the following steps: (i) material synthesis or procurement, (ii) further modifications (e.g., surface functionalisation), (iii) a plethora of characterisation steps by physicochemical methods, potentially also including the application of computational modelling and

Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster

• Joel Antúnez-García,
• Roberto Núñez-González,
• Vitalii Petranovskii,
• H’Linh Hmok,
• Armando Reyes-Serrato,
• Fabian N. Murrieta-Rico,
• Mufei Xiao and
• Jonathan Zamora

Beilstein J. Nanotechnol. 2025, 16, 44–53, doi:10.3762/bjnano.16.5

• with a three-dimensional structure comprising pores and cavities of molecular dimensions. This unique structure enables them to operate as molecular sieves, allowing molecules smaller than the pore size to pass through while blocking the diffusion of larger ones. Furthermore, the physicochemical

• because of the migration and coalescence of nanoparticles on the carrier material [21][22]. Such changes can significantly modify the physicochemical properties of the original nanomaterial. Also, the most interesting physicochemical properties are exhibited by clusters with subnanometer dimensions. For

• properties and performance. Furthermore, apart from not preventing potential exposure to unwanted molecules, the structural characteristics and, hence, the physicochemical properties of the cluster could be altered as a result of its interaction with the support material. Indeed, one viable solution to

A nanocarrier containing carboxylic and histamine groups with dual action: acetylcholine hydrolysis and antidote atropine delivery

• Elina E. Mansurova,
• Andrey A. Maslennikov,
• Anna P. Lyubina,
• Alexandra D. Voloshina,
• Irek R. Nizameev,
• Marsil K. Kadirov,
• Anzhela A. Mikhailova,
• Polina V. Mikshina,
• Albina Y. Ziganshina and
• Igor S. Antipin

Beilstein J. Nanotechnol. 2025, 16, 11–24, doi:10.3762/bjnano.16.2

• breaks down acetylcholine into choline and acetic acid. The latter acts on the boronate bonds, dissociating them. This leads to the destruction of the nanocarrier and the release of the antidote. The paper covers the creation of the nanocarrier, its physicochemical and biological properties

• disintegrates the nanocarrier, leading to the release of Atr (Scheme 1). This paper discusses the synthesis of the Atr nanocarrier, its physicochemical and biological properties, the encapsulation of Atr into the nanocarrier cavity, ACh hydrolysis, nanocarrier degradation, and Atr release under the ACh action

Mechanistic insights into endosomal escape by sodium oleate-modified liposomes

• Ebrahim Sadaqa,
• Satrialdi,
• Fransiska Kurniawan and
• Diky Mudhakir

Beilstein J. Nanotechnol. 2024, 15, 1667–1685, doi:10.3762/bjnano.15.131

• ]. OLA, a monounsaturated fatty acid, possesses unique physicochemical properties that make it a promising candidate for facilitating endosomal escape. Its kinked hydrocarbon chain, featuring a double bond, disrupts lipid bilayers and increases membrane fluidity. Inspired by these properties, we propose

• liposomes (Unmodified-Lipo) exhibited a stable physicochemical profile, with an average particle size of 102.2 ± 3.30 nm. Their PDI of 0.239 ± 0.046 indicated a uniform and consistent size distribution, supported by a mean negative zeta potential of −4.47 ± 2.34 mV. For sodium oleate-modified liposomes (SO

• agents. Upon endocytosis, SO-Lipo encounter the acidic environment of the endosome, triggering the protonation of SO into OLA. This protonation significantly alters the physicochemical properties of the liposomes, notably reducing their negative zeta potential, as previously described in Table 1. The

Biomimetic nanocarriers: integrating natural functions for advanced therapeutic applications

• Hugo Felix Perini,
• Beatriz Sodré Matos,
• Carlo José Freire de Oliveira and
• Marcos Vinicius da Silva

Beilstein J. Nanotechnol. 2024, 15, 1619–1626, doi:10.3762/bjnano.15.127

• or active targeting mechanisms. In the passive strategy, coated nanocarriers can traverse permeable vessels (as observed in tumors, for example) and exhibit tropism toward specific pathological targets based on the size, surface charge, and physicochemical properties of the nanostructure. The active

• drug absorption by the mononuclear phagocytic system due to its hydrophilic barrier [59]. Although PEG-coated nanostructures exhibit promising physicochemical properties, they have shown limitations; studies point to cases of hypersensitivity in PEGylated vaccines [60][61]. Potential adverse immune

Liver-targeting iron oxide nanoparticles and their complexes with plant extracts for biocompatibility

• Shushanik A. Kazaryan,
• Seda A. Oganian,
• Gayane S. Vardanyan,
• Anatolie S. Sidorenko and
• Ashkhen A. Hovhannisyan

Beilstein J. Nanotechnol. 2024, 15, 1593–1602, doi:10.3762/bjnano.15.125

• challenges associated with human health. Nanotechnology offers great opportunities in medicine because of the physicochemical properties at the nanoscale. There are efforts to apply unique quantum phenomena at the nanoscale in the fields of medicine, biomedical sciences, bioengineering, food technology

• , it can be concluded that the effects of all investigated samples on liver tissue exhibit a multifaceted character and diverse mechanisms of activity. These mechanisms depend on the size of Fe3O4 NPs, the hydrophilic shell diameter, solubility, aggregation, stability, and various other physicochemical

Facile synthesis of size-tunable L-carnosine-capped silver nanoparticles and their role in metal ion sensing and catalytic degradation of p-nitrophenol

• Akash Kumar,
• Ridhima Chadha,
• Abhishek Das,
• Nandita Maiti and
• Rayavarapu Raja Gopal

Beilstein J. Nanotechnol. 2024, 15, 1576–1592, doi:10.3762/bjnano.15.124

• ʟ-carnosine in synthesizing tunable plasmonic silver nanoparticles (ʟ-car-AgNPs). The formation of ʟ-car-AgNPs was confirmed via UV–vis optical absorption spectroscopy, showing single and double plasmonic peaks, depending on the synthesis conditions. Physicochemical characterization using TEM, FTIR

• temperature and the ratio of NaBH4 to NaOH led to the formation of ʟ-car-AgNPs with different colors. The color of the obtained nanoparticles suggested that they were in a controlled aggregated state. Further characterization was performed to analyze the physicochemical properties of the synthesized ʟ

Green synthesis of silver nanoparticles derived from algae and their larvicidal properties to control Aedes aegypti

• Matheus Alves Siqueira de Assunção,
• Douglas Dourado,
• Daiane Rodrigues dos Santos,
• Gabriel Bezerra Faierstein,
• Mara Elga Medeiros Braga,
• Severino Alves Junior,
• Rosângela Maria Rodrigues Barbosa,
• Herminio José Cipriano de Sousa and
• Fábio Rocha Formiga

Beilstein J. Nanotechnol. 2024, 15, 1566–1575, doi:10.3762/bjnano.15.123

• nanomaterials in non-target species is discussed. Keywords: bioassay; inorganic nanoparticles; mosquito vector; nanotechnology; physicochemical; tropical neglected diseases; Introduction Arboviroses are diseases caused by the pathogens transmitted by arthropods, and their transmission to humans occurs through

The round-robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential

• Dimitra-Danai Varsou,
• Arkaprava Banerjee,
• Joyita Roy,
• Kunal Roy,
• Giannis Savvas,
• Haralambos Sarimveis,
• Ewelina Wyrzykowska,
• Mateusz Balicki,
• Tomasz Puzyn,
• Georgia Melagraki,
• Iseult Lynch and
• Antreas Afantitis

Beilstein J. Nanotechnol. 2024, 15, 1536–1553, doi:10.3762/bjnano.15.121

• engineered NMs was explored in silico in order to predict their ZP based on physicochemical and molecular descriptors. The physicochemical characterization of the NMs was performed under the EU-FP7 NanoMILE project (https://cordis.europa.eu/project/id/310451) [36]. From the available descriptors/properties

• the library of the NMs’ physicochemical properties and increase the amount of available information, the corresponding sphere diameter (the diameter of the sphere with a surface area equal to the area of the NM) was calculated, as well as three molecular descriptors commonly used in nanoinformatics

• regression (LSVR), random forest regression, Adaboost, multiple layer perceptron (MLP) regression, and kNN regression. This study reports the first application of q-RASPR in a stacked modelling framework. Apart from the supplied structural and physicochemical information of the engineered NMs, we have

Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

• Fabio Le Piane,
• Mario Vozza,
• Matteo Baldoni and
• Francesco Mercuri

Beilstein J. Nanotechnol. 2024, 15, 1498–1521, doi:10.3762/bjnano.15.119

• decomposing the problem into tasks and subtasks. The definition of tasks and subtasks and the domain knowledge is organized in terms of the structure provided by MAMBO. Let us first consider a simulation workflow for the evaluation of the physicochemical properties of a molecular aggregate made of identical