AI-assisted models to predict chemotherapy drugs modified with C₆₀ fullerene derivatives

• Jonathan-Siu-Loong Robles-Hernández,
• Dora Iliana Medina,
• Katerin Aguirre-Hurtado,
• Marlene Bosquez,
• Roberto Salcedo and
• Alan Miralrio

Beilstein J. Nanotechnol. 2024, 15, 1170–1188, doi:10.3762/bjnano.15.95

• relationship (QSAR)/ quantitative structure–property relationship (QSPR) models, this study explores the application of fullerene derivatives as nanocarriers for breast cancer chemotherapy drugs. Isolated drugs and two drug–fullerene complexes (i.e., drug–pristine C60 fullerene and drug–carboxyfullerene C60

• chemistry at the density functional-based tight binding DFTB3 level. The results indicate that drug–fullerene complexes interact more with CXCR7 than isolated drugs. Specific binding sites were identified, with varying locations for each drug complex. Predictive models, developed using multiple linear

• regression and IBM Watson artificial intelligence (AI), achieved mean absolute percentage errors below 12%, driven by AI-identified key variables. The predictive models included mainly quantitative descriptors collected from datasets as well as computed ones. In addition, a water-soluble fullerene was used

Interface properties of nanostructured carbon-coated biological implants: an overview

• Mattia Bartoli,
• Francesca Cardano,
• Erik Piatti,
• Stefania Lettieri,
• Andrea Fin and
• Alberto Tagliaferro

Beilstein J. Nanotechnol. 2024, 15, 1041–1053, doi:10.3762/bjnano.15.85

• [59][60] with a very high aspect ratio. The length of CNTs varies from a few nanometers [61] to several centimeters [62], and it is strictly related to the synthesis method. Additionally, CNTs can end with fullerene-type caps that are highly reactive because of the high distortion [63]. As summarized

Ca_n neutral clusters: a two-step G₀W₀ and DFT benchmark

• Sunila Bakhsh,
• Sameen Aslam,
• Muhammad Khalid,
• Muhammad Sohail,
• Sundas Zafar,
• Sumayya Abdul Wadood,
• Kareem Morsy and
• Muhammad Aamir Iqbal

Beilstein J. Nanotechnol. 2024, 15, 1010–1016, doi:10.3762/bjnano.15.82

• ; density functional theory; G0W0 approximation; ionization potentials; magic clusters; Introduction Calcium metal has a closed shell structure and belongs to the group IIA alkaline-earth metals [1]. It has been widely used in carbon-chemical engineering (coating fullerene in hydrogen storage), optics, and

A review on the structural characterization of nanomaterials for nano-QSAR models

• Salvador Moncho,
• Eva Serrano-Candelas,
• Jesús Vicente de Julián-Ortiz and
• Rafael Gozalbes

Beilstein J. Nanotechnol. 2024, 15, 854–866, doi:10.3762/bjnano.15.71

• the surface. In the case of C60 fullerene structures (with the same exact fullerene composition), the datapoints were identified merely based on these side groups only. The corresponding molecular descriptors comprised 3D QM-calculated descriptors (which include the constant fullerene) and descriptors

• bacterial [56] media). Additionally, categorical variables describing the kind of structure can be used to reflect the shape. For example, a shape component in mixed carbon-based nanoparticles is encoded by this type of categorical variables, such as fullerene vs carbon nanotubes or different carbon

Classification and application of metal-based nanoantioxidants in medicine and healthcare

• Nguyen Nhat Nam,
• Nguyen Khoi Song Tran,
• Tan Tai Nguyen,
• Nguyen Ngoc Trai,
• Nguyen Phuong Thuy,
• Hoang Dang Khoa Do,
• Nhu Hoa Thi Tran and
• Kieu The Loan Trinh

Beilstein J. Nanotechnol. 2024, 15, 396–415, doi:10.3762/bjnano.15.36

• reaction of C60 fullerene in 1991 [66], C60 derivates were investigated for scavenging various free radicals including alkoxyl radicals, alkylperoxyl radicals, hydroxyl radicals, benzyl radicals, and superoxide radicals [67][68][69]. Since then, a large number of SOD-mimicking nanomaterials have been

• is not an ideal method because it can be painful. In response, antioxidant nanomaterials coupled with hydrogels provide a promising method to topically deliver antioxidant nanomaterials into the body [154][155]. Nanoantioxidants (such as fullerene, cerium, gold, silver, and iron nanoparticles) and

CdSe/ZnS quantum dots as a booster in the active layer of distributed ternary organic photovoltaics

• Gabriela Lewińska,
• Piotr Jeleń,
• Zofia Kucia,
• Maciej Sitarz,
• Łukasz Walczak,
• Bartłomiej Szafraniak,
• Jerzy Sanetra and
• Konstanty W. Marszalek

Beilstein J. Nanotechnol. 2024, 15, 144–156, doi:10.3762/bjnano.15.14

• studies on CdSe/ZnS nanodots as dopants in a polymer–fullerene matrix for application in organic solar cells. An assembly of poly(3-hexylthiophene-2,5-diyl) and 6,6-phenyl-C71-butyric acid methyl ester was used as the active reference layer. Absorption and luminescence spectra as well as the dispersion

• -transporting layers [24], active absorbing layers, and other components [25][26]. Inorganic quantum dots are considered substitutes for fullerene acceptors. Their biggest advantages are a tunable band gap, various absorption spectra, and comparatively high mobility of carriers [27][28]. The application of

• /aluminum systems were simulated using the computational tool “General-Purpose Photovoltaic Device Model (GPVDM)” [59]. This software was proofed functional for similar organic systems [60]. The active layer was a mixture of a polymeric donor and P3HT, with a PCBM fullerene acceptor doped with appropriate

Dual-heterodyne Kelvin probe force microscopy

• Benjamin Grévin,
• Fatima Husainy,
• Dmitry Aldakov and
• Cyril Aumaître

Beilstein J. Nanotechnol. 2023, 14, 1068–1084, doi:10.3762/bjnano.14.88

• consistent with a well-known fact for fullerene derivative-based heterojunctions: PC71BM aggregates act as charge trapping centres. The trap release processes become the limiting factor determining the SPV decay dynamics. It is also important to note that although both sets of data (amplitude/phase) show

Prediction of cytotoxicity of heavy metals adsorbed on nano-TiO₂ with periodic table descriptors using machine learning approaches

• Joyita Roy,
• Souvik Pore and
• Kunal Roy

Beilstein J. Nanotechnol. 2023, 14, 939–950, doi:10.3762/bjnano.14.77

• most widely used. Therefore, the joint organismal toxicity should be assessed. Recently, nanoscale quantitative structure–activity relationship (nano-QSAR) models have been successfully applied to investigate the toxicity of NPs. QSAR models for predicting the biological activity of 48 fullerene

Molecular nanoarchitectonics: unification of nanotechnology and molecular/materials science

• Katsuhiko Ariga

Beilstein J. Nanotechnol. 2023, 14, 434–453, doi:10.3762/bjnano.14.35

• reversibly terminated by C60 fullerene molecules (Figure 4). First, the Au probe was positioned at the target Br atom site. Then, when the bias voltage was swept, an abrupt change in the tunneling current was detected. As a result, the bromine atoms disappeared from the molecule and the C–Br bonds in the

• GmbH & Co. KGaA, Weinheim. This content is not subject to CC-BY-4.0. Local probe chemistry for covalent attachment of C60 fullerene molecule at demonstrated site on three-dimensional graphene nanoribbon. Figure 4 was reproduced from [115] (Copyright © 2020 S. Kawai et al., published by the American

Plasmonic nanotechnology for photothermal applications – an evaluation

• A. R. Indhu,
• L. Keerthana and
• Gnanaprakash Dharmalingam

Beilstein J. Nanotechnol. 2023, 14, 380–419, doi:10.3762/bjnano.14.33

Cyclodextrins as eminent constituents in nanoarchitectonics for drug delivery systems

• Makoto Komiyama

Beilstein J. Nanotechnol. 2023, 14, 218–232, doi:10.3762/bjnano.14.21

• glutathione and the pH decrease [100]. In order to deliver DOX to the cell nuclei, water-soluble conjugates of β-CyD with C60 fullerene have been employed [101]. CyDs are also useful for the treatment of COVID-19, which has been spreading all over the world as pandemic [102][103][104]. For example, remdesivir

Self-assembly of C₆₀ on a ZnTPP/Fe(001)–p(1 × 1)O substrate: observation of a quasi-freestanding C₆₀ monolayer

• Guglielmo Albani,
• Michele Capra,
• Alessandro Lodesani,
• Alberto Calloni,
• Gianlorenzo Bussetti,
• Marco Finazzi,
• Franco Ciccacci,
• Alberto Brambilla,
• Lamberto Duò and
• Andrea Picone

Beilstein J. Nanotechnol. 2022, 13, 857–864, doi:10.3762/bjnano.13.76

• Fullerene (C60) has been deposited in ultrahigh vacuum on top of a zinc tetraphenylporphyrin (ZnTPP) monolayer self-assembled on a Fe(001)–p(1 × 1)O substrate. The nanoscale morphology and the electronic properties of the C60/ZnTPP/Fe(001)–p(1 × 1)O heterostructure have been investigated by scanning

• fullerene films stabilized directly on metal surfaces. Our results unveil a model system that could be useful in applications in which a quasi-freestanding monolayer of C60 interfaced with a metallic electrode is required. Keywords: fullerene; scanning tunneling microscopy; ultraviolet photoemission

• directly on either the Fe(001) or Fe(001)–p(1 × 1)O surfaces. In the former case, the diffusion of C60 is completely hindered and fullerene forms a disordered film, while in the latter case a peculiar mode of growth, intermediate between diffusion-mediated and ballistic growth, is observed [23][50]. Figure

Tubular glassy carbon microneedles with fullerene-like tips for biomedical applications

• Sharali Malik and
• George E. Kostakis

Beilstein J. Nanotechnol. 2022, 13, 455–461, doi:10.3762/bjnano.13.38

• the nanoarchitectonics concept of bottom-up creation of functional materials, we use methane rather than a polymer to form glassy carbon. Here we show that tubular glassy carbon microneedles with fullerene-like tips form when methane undergoes pyrolysis on a curved alumina surface. X-ray diffraction

• of these glassy carbon tubules shows long-range order with a d-spacing of 4.89 Å, which is indicative of glassy carbon. Raman spectroscopy shows the material to be graphitic in nature, and SEM shows the fullerene-like structure of the material. This work provides new insights into the structure of

• a fullerene-like structure. So far, evidence for this was inferred from TEM observations and theoretical models of polymer-derived carbons [13]. Since glassy carbon has been identified as a promising material for electrodes used in neural prosthetics [1], our long-term aim is to develop a scaleable

A chemiresistive sensor array based on polyaniline nanocomposites and machine learning classification

• Jiri Kroutil,
• Alexandr Laposa,
• Ali Ahmad,
• Jan Voves,
• Vojtech Povolny,
• Ladislav Klimsa,
• Marina Davydova and
• Miroslav Husak

Beilstein J. Nanotechnol. 2022, 13, 411–423, doi:10.3762/bjnano.13.34

• (nanopowder), PANI/WO3 (nanotubes), PANI/In2O3, PANI/C60 (fullerene), PANI/nanocrystalline diamond (NCD), and PANI/BaTiO3, deposited on a flexible sensor array platform with a new design. Seven different nanocomposite sensing layers deposited on the array were exposed to six different gases (ammonia, carbon

• resistance due to the decrease of hole density within the p-type film [18]. In the case of the hybrid structures, a p–n heterojunction is formed between polyaniline and n-type nanostructures such as ZnO, WO3, In2O3, or fullerene [19]. The protons from polyaniline are transferred to the NH3 molecules. This

• mg additives (zinc oxide, two forms of tungsten oxide, indium oxide, fullerene, NCD, and barium titanate) in 2 mL xylene. Table 3 shows properties of the used additives. The prepared solutions were mixed in a shaker for 30 min and subsequently ultrasonicated for 30 min. Finally, the obtained

Impact of electron–phonon coupling on electron transport through T-shaped arrangements of quantum dots in the Kondo regime

• Patryk Florków and
• Stanisław Lipiński

Beilstein J. Nanotechnol. 2021, 12, 1209–1225, doi:10.3762/bjnano.12.89

• strength depend on the specific setup. All ranges, that is, weak, intermediate, and strong coupling, are accessible. As an example, data for carbon systems are given: The experimental results for suspended carbon nanotube QDs showed an average value of strong coupling λ ≈ 1.7 [48]. For fullerene C60

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

• resists, including a fullerene-based molecular resist [121], a tetracene molecular resist [122], and various organic–inorganic resists [123][124][125][126][127][128][129]. The enhanced sensitivity of resists to helium ions has been attributed to the higher secondary electron emission yield and the fact

Influence of electrospray deposition on C₆₀ molecular assemblies

• Antoine Hinaut,
• Sebastian Scherb,
• Sara Freund,
• Zhao Liu,
• Thilo Glatzel and
• Ernst Meyer

Beilstein J. Nanotechnol. 2021, 12, 552–558, doi:10.3762/bjnano.12.45

• method can yield single isolated molecules accompanied by surface modifications. Keywords: alkali halide; Au(111); bulk insulator; C60; electrospray; electrospray deposition; fullerene; high-vacuum electrospray deposition (HV-ESD); molecular assembly; nc-AFM; NiO; single molecule; thermal evaporation

A review on the biological effects of nanomaterials on silkworm (Bombyx mori)

• Sandra Senyo Fometu,
• Guohua Wu,
• Lin Ma and
• Joan Shine Davids

Beilstein J. Nanotechnol. 2021, 12, 190–202, doi:10.3762/bjnano.12.15

• al. [41] reported that the dietary uptake of carbon-based nanomaterials (fullerene C60, carbon black, single-walled nanotubes, multi-walled nanotubes) had no toxic effect on the growth and development of Drosophila melanogaster (fruit fly) from the egg stage to the adult form. However, the dietary

Nonadiabatic superconductivity in a Li-intercalated hexagonal boron nitride bilayer

• Kamila A. Szewczyk,
• Izabela A. Domagalska,
• Artur P. Durajski and
• Radosław Szczęśniak

Beilstein J. Nanotechnol. 2020, 11, 1178–1189, doi:10.3762/bjnano.11.102

• including vertex corrections and an explicit dependence on k are also given in the literature [65][66][67]. These equations were derived in the context of research on the superconducting state in fullerene systems [68][69], in high-TC cuprates [70][71][72], in heavy fermion compounds [73], and in

• , which is comparable to the value obtained for fullerene compounds [66][68]. Therefore, Li-hBN can be used to test the predictions of future theories that include vertex corrections in a fully self-consistent manner (both Matsubara frequencies and the electron wave vector k). We are currently

Templating effect of single-layer graphene supported by an insulating substrate on the molecular orientation of lead phthalocyanine

• K. Priya Madhuri,
• Abhay A. Sagade,
• Pralay K. Santra and
• Neena S. John

Beilstein J. Nanotechnol. 2020, 11, 814–820, doi:10.3762/bjnano.11.66

• and CuI. A FDTS layer induces the edge-on arrangement regardless of the crystal phase, while a CuI interlayer induces the formation of triclinic PbPc moieties stacked face-on to the substrate yielding enhanced NIR absorption [6]. Organic molecules such as pentacene, fullerene and sexithiophene have

A novel dry-blending method to reduce the coefficient of thermal expansion of polymer templates for OTFT electrodes

• Xiangdong Ye,
• Bo Tian,
• Yuxuan Guo,
• Fan Fan and
• Anjiang Cai

Beilstein J. Nanotechnol. 2020, 11, 671–677, doi:10.3762/bjnano.11.53

• the influence of fullerene (C60) on the CTE of Araldite LY 5052/Aradur HY 5052 cross-linked epoxy resin by molecular dynamics simulations. The CTE was minimized by adding a maximum of 15.9 wt % fullerene to the LY/HY/C60 epoxy system. Liu et al. [14] selected MCM-41 mesoporous silica nanoparticles

Implementation of data-cube pump–probe KPFM on organic solar cells

• Benjamin Grévin,
• Olivier Bardagot and
• Renaud Demadrille

Beilstein J. Nanotechnol. 2020, 11, 323–337, doi:10.3762/bjnano.11.24

• charges. The latter can eventually reach the collection electrodes of the device. Here, the low-bandgap polymer PTB7 was used as the donor and the fullerene derivative PC71BM as the acceptor. In the BHJ configuration [26], the D and A materials should form two interpenetrated networks phase-segregated at

An advanced structural characterization of templated meso-macroporous carbon monoliths by small- and wide-angle scattering techniques

• Felix M. Badaczewski,
• Marc O. Loeh,
• Torben Pfaff,
• Dirk Wallacher,
• Daniel Clemens and
• Bernd M. Smarsly

Beilstein J. Nanotechnol. 2020, 11, 310–322, doi:10.3762/bjnano.11.23

• treatment, the PF resin is gradually transformed into a non-graphitizing glassy carbon [49][50] consisting of highly cross-linked graphene stacks, which once were thought to be ribbon-like, but are now acknowledged as being of made of highly curved graphene sheets with a high content of fullerene-like

Nontoxic pyrite iron sulfide nanocrystals as second electron acceptor in PTB7:PC₇₁BM-based organic photovoltaic cells

• Olivia Amargós-Reyes,
• José-Luis Maldonado,
• Omar Martínez-Alvarez,
• María-Elena Nicho,
• José Santos-Cruz,
• Juan Nicasio-Collazo,
• Irving Caballero-Quintana and
• Concepción Arenas-Arrocena

Beilstein J. Nanotechnol. 2019, 10, 2238–2250, doi:10.3762/bjnano.10.216

• the active layer [37][38]. Therefore, several strategies have been applied to increase the efficiency of ternary OPVs. The photovoltaic parameters were significantly improved with the use of a second donor [39][40] or acceptor (fullerene or nonfullerene) [41][42]. For instance, isocyanate-treated

• respect to the reference devices [21]. Cheng et al. used ICBA (di[1,4]methanonaphthaleno[1,2:2',3';56,60:2'',3''][5,6]fullerene-C60-Ih, 1',1'',4',4''-tetrahydro-) to provide more routes for charge transfer at the PTB7:PC71BM interface, improving the average efficiency from 7.23 to 8.13% [41]. Wang et al

Review of advanced sensor devices employing nanoarchitectonics concepts

• Katsuhiko Ariga,
• Tatsuyuki Makita,
• Masato Ito,
• Taizo Mori,
• Shun Watanabe and
• Jun Takeya

Beilstein J. Nanotechnol. 2019, 10, 2014–2030, doi:10.3762/bjnano.10.198

• can be obtained by molecular self-assembly [112][113][114] and template synthesis [115][116][117][118][119]. For example, various sensors with self-assembled fullerene materials and their carbonized materials as sensing structures were reported for aromatic gas vapors [120][121] and carbonized