Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

• Kamal Kumar,
• Nora H. de Leeuw,
• Jost Adam and
• Abhishek Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 1440–1452, doi:10.3762/bjnano.15.116

• converged 8 × 8 × 1 k-point mesh, and the electronic wave functions were expanded within a basis set of plane waves with a 600 eV cutoff energy. The unwanted interactions between the periodic images of 2D sheets have been mitigated by incorporating a generous vacuum space of 13 Å into our simulation cell

Ion-induced surface reactions and deposition from Pt(CO)₂Cl₂ and Pt(CO)₂Br₂

• Mohammed K. Abdel-Rahman,
• Patrick M. Eckhert,
• Atul Chaudhary,
• Johnathon M. Johnson,
• Jo-Chi Yu,
• Lisa McElwee-White and
• D. Howard Fairbrother

Beilstein J. Nanotechnol. 2024, 15, 1427–1439, doi:10.3762/bjnano.15.115

• ability of data acquired from fundamental UHV surface science studies to provide insights that can be used to better understand the interactions between ions and precursors during IBID from inorganic precursors. Keywords: deposition; ion beam; nanostructure; organometallic; precursor; Introduction

• largely avoided by using noble gas ions like He+ [32][35] or Ar+ [21], which are commonly used in helium ion microscopes and focused ion beam milling instruments. In FIBID, ion-induced interactions can initiate a complex mixture of different processes including ion-induced deposition, secondary electron

• slower sputtering of Ru [23]. Another important factor unique to FIBID that governs deposit purity can be the chemical identity of the ion [33][59][60][61][62][63][64]. Interactions between ions and adsorbed precursors are momentum-driven, which results in the formation of nonvolatile deposits as well as

Lithium niobate on insulator: an emerging nanophotonic crystal for optimized light control

• Midhun Murali,
• Amit Banerjee and
• Tanmoy Basu

Beilstein J. Nanotechnol. 2024, 15, 1415–1426, doi:10.3762/bjnano.15.114

• light–matter interactions and enabling precise control over quantum states [4]. Attaining optimal light confinement represents a crucial goal in photonics, given that the inherent constraints on light confinement in conventional optical media or devices hinder the miniaturization and integration of

• and driving coherent interactions with the organic semiconductor molecules. Secondly, enabling the measurement of the evolution of stored energy and the differential reflectivity induced by the pump pulse, which is essential for monitoring the charging dynamics at a femtosecond resolution. The

Nanotechnological approaches for efficient N2B delivery: from small-molecule drugs to biopharmaceuticals

• Selin Akpinar Adscheid,
• Akif E. Türeli,
• Nazende Günday-Türeli and
• Marc Schneider

Beilstein J. Nanotechnol. 2024, 15, 1400–1414, doi:10.3762/bjnano.15.113

• ]. These direct anatomical interactions make the olfactory region the primary target for N2B delivery and bypass the BBB [21][44]. However, some factors, such as high mucociliary clearance and short retention time, small dosage volume, and the need for a drug delivery device, limit N2B delivery (Figure 2

• alternative route of administration [60]. For instance, Dhaliwal et al. presented a cationic liposomal formulation loaded with luciferase mRNA to evaluate the intranasal delivery to the brain in a murine model. Positively charged liposomes both enhance the interactions with anionic mRNA, leading to complexes

A biomimetic approach towards a universal slippery liquid infused surface coating

• Ryan A. Faase,
• Madeleine H. Hummel,
• AnneMarie V. Hasbrook,
• Andrew P. Carpenter and
• Joe E. Baio

Beilstein J. Nanotechnol. 2024, 15, 1376–1389, doi:10.3762/bjnano.15.111

• identifying the specific interactions between platelets and surfaces independent of protein adsorption or other events that may take place within whole blood and plasma studies. In our purified platelet system, we observed a 150% increase in adherent platelets on PDA–FDT–PFD compared to BSA and a 50% decrease

• gather information on isolated surface interactions, whereas the fibrin generation study was performed using PPP to investigate comprehensive hematologic behavior of the surfaces. This suggests that the SLIPS coating could have a high affinity for a passivating blood protein or low affinity for an active

Hymenoptera and biomimetic surfaces: insights and innovations

• Vinicius Marques Lopez,
• Carlo Polidori and
• Rhainer Guillermo Ferreira

Beilstein J. Nanotechnol. 2024, 15, 1333–1352, doi:10.3762/bjnano.15.107

• structures. Simulating the cleaning strokes of the tarsal notch and tibial spur on contaminated antennae in Camponotus rufifemur ants demonstrated that both components effectively removed particles [141]. The cleaning occurs through both macroscopic contact and microscopic interactions between the cleaning

Nanoarchitectonics with cetrimonium bromide on metal nanoparticles for linker-free detection of toxic metal ions and catalytic degradation of 4-nitrophenol

• Akash Kumar and
• Raja Gopal Rayavarapu

Beilstein J. Nanotechnol. 2024, 15, 1312–1332, doi:10.3762/bjnano.15.106

• does not allow for interactions with ligands via ion–ion interactions. Therefore, multiple surface modifications or linkers must be used for selective interaction between ligand and CTAB-capped gold and silver nanoparticles [7][9]. Contaminants in form of heavy metals and pollutant such as 4

• ). Centrifuged CTAB-AuNR10.5 without NaOH showed no metal detection (Supporting Information File 1, Figure S11). Apart from the amount of added NaOH, the nanoparticle concentration in terms of OD also plays a significant role in the nanoparticle–metal interactions. Increasing the nanoparticle concentration

• NaOH (5–20 µL) (Supporting Information File 1, Figure S12). Color or plasmon band changes can be attributed to nanoparticle–metal interactions [51]. Other researchers also explored the role of NaOH; they found that NaOH is a potent molecule that helps to remove CTAB from nanoparticles by reducing the

Interaction of graphene oxide with tannic acid: computational modeling and toxicity mitigation in C. elegans

• Romana Petry,
• James M. de Almeida,
• Francine Côa,
• Felipe Crasto de Lima,
• Diego Stéfani T. Martinez and
• Adalberto Fazzio

Beilstein J. Nanotechnol. 2024, 15, 1297–1311, doi:10.3762/bjnano.15.105

• -dependent mitigating effect on the toxicity of GO, which can be attributed not only to the surface interactions between the molecule and the material but also to the inherent biological properties of TA in C. elegans. Our findings contribute to a deeper understanding of GO’s environmental behavior and

• toxicity and highlight the potential of tannic acid for the synthesis and surface functionalization of graphene-based nanomaterials, offering insights into safer nanotechnology development. Keywords: biodistribution; density functional theory; ecotoxicity; molecular dynamics; surface interactions

• ions [8][9][10]. The physicochemical changes and interactions undergone by GO in the environment greatly influence the biological effects of this material. Recently, Bortolozzo et al. [11] showed that GO degradation by sodium hypochlorite resulted in the mitigation of GO toxicity to Caenorhabditis

New design of operational MEMS bridges for measurements of properties of FEBID-based nanostructures

• Bartosz Pruchnik,
• Krzysztof Kwoka,
• Ewelina Gacka,
• Dominik Badura,
• Piotr Kunicki,
• Andrzej Sierakowski,
• Paweł Janus,
• Tomasz Piasecki and
• Teodor Gotszalk

Beilstein J. Nanotechnol. 2024, 15, 1273–1282, doi:10.3762/bjnano.15.103

• structural effects present in the opMEMS bridges. Of particular importance was the presence of eigenstrains [39], which would affect the shape of the RoI after FIB milling. Eigenstrains can occur due to mismatches between the crystalline lattices of the deposited materials or due to interactions between

• shown that the leakage was not affected by gallium FIB milling or conductive FEBID deposition in the vicinity of the RoI. This is particularly important in the field of high-resistivity materials (e.g., FEBID) where the elimination of parasitic interactions is critical to the measurement. More

Dual-functionalized architecture enables stable and tumor cell-specific SiO₂NPs in complex biological fluids

• Iris Renata Sousa Ribeiro,
• Raquel Frenedoso da Silva,
• Romênia Ramos Domingues,
• Adriana Franco Paes Leme and
• Mateus Borba Cardoso

Beilstein J. Nanotechnol. 2024, 15, 1238–1252, doi:10.3762/bjnano.15.100

• -functionalized SiO2NPs involves their capability to generate reactive species of oxygen, along with electrostatic interactions of deprotonated silanol groups with membrane proteins and tetra alkyl ammonium groups, which are also present in red blood cell membranes [47][48][49][50]. The addition of the ZW

• compound possibly prevents these interactions, ensuring the colloidal stability of NPs without increasing hemolysis. It is noteworthy that for a material to be considered hemolytic, it must cause a percentage of hemolysis greater than 5% [36]. When the incubation was performed in DMEM (10% FBS), no

• hemolytic activity was observed, even for the non-functionalized NPs (Figure 3b). According to the literature [51][52], the protein corona suppresses hemolytic activity, as proteins induce modifications on the surfaces of NPs, altering the interactions between NPs and blood cells. When the functionalized

Realizing active targeting in cancer nanomedicine with ultrasmall nanoparticles

• André F. Lima,
• Giselle Z. Justo and
• Alioscka A. Sousa

Beilstein J. Nanotechnol. 2024, 15, 1208–1226, doi:10.3762/bjnano.15.98

• interface between small molecules and conventional NPs, and so they provide a unique opportunity to leverage distinctive properties inherent to both domains [25][29][30]. On one hand, usNPs and their conjugates can behave as biomolecules in terms of biomolecular interactions and physiological behavior [31

• imaging [20][40], and positron emission tomography [45][46]. In therapeutic applications, usNPs have been used for drug delivery as well as served as phototherapeutic agents and radiosensitizers [47][48][49][50][51]. A distinguishing feature of usNPs is their transient, short-lived interactions with

• proteins (Figure 2A) [52][53][54][55][56][57][58]. This occurs because of the small size and high surface curvature of usNPs, which restrict the binding interface for proteins. As a result, protein spreading and denaturation on the usNP surface are minimized, and fewer non-covalent interactions form

A low-kiloelectronvolt focused ion beam strategy for processing low-thermal-conductance materials with nanoampere currents

• Annalena Wolff,
• Nico Klingner,
• William Thompson,
• Yinghong Zhou,
• Jinying Lin and
• Yin Xiao

Beilstein J. Nanotechnol. 2024, 15, 1197–1207, doi:10.3762/bjnano.15.97

• community. This is partly due to the increased use of FIB-SEMs in biology as well as the development of complex materials, such as polymers, which need to be analyzed. The work presented here looks at the physics behind the ion beam–sample interactions and the effect of the incident ion energy (set by the

• light interactions with biological tissue [18] as well as focused electron beam-induced deposition (FEBID) [19]. The general approach to assess the beam-induced heat damage and undesired artifacts, regardless if working with ions [17], photons [18], or electrons [19], compares experiments to models

• based on heat transfer and to Monte Carlo or finite element simulations [17][18][19]. Open source programs that assess heat deposition and diffusion are readily available to assess damage in light–tissue interactions [18]. For electron beams, multidimensional models predicting electron beam-induced

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

• descriptors for predictive models. Besides, Pearson’s hard–soft acid–base (HSAB) theory suggests other descriptors to describe and predict the interactions between chemical species, such as those between a drug molecule as a ligand and a protein [32]. These quantitative values are based on the vertical

• theoretical study on the interactions and stability of paracetamol complexes with C60–COOH [35]. Consequently, this work proposes the interaction of C60–COOH fullerene with anticancer drugs. As a complement, a water-soluble fullerene predicted as stable at the normal human body temperature was proposed to

• study the interactions with doxorubicin and gemcitabine [36]. The water-soluble fullerene is introduced to avoid known mutagenic reactions related to breast cancer [36]. It was also studied as a potential carrier for bedaquiline, an agent against tuberculosis [37]. The current study only considered

Quantum-to-classical modeling of monolayer Ge₂Se₂ and its application in photovoltaic devices

• Anup Shrivastava,
• Shivani Saini,
• Dolly Kumari,
• Sanjai Singh and
• Jost Adam

Beilstein J. Nanotechnol. 2024, 15, 1153–1169, doi:10.3762/bjnano.15.94

• , respectively. All optimized structural parameters excellently match with previously reported values [41][42]. In addition to the lattice parameters for the monolayer Ge2Se2, we have optimized the vacuum slab in a normal direction to avoid interlayer interactions. The optimized vacuum level was found to be 23 Å

• (LDA) [67] or generalized gradient approximation (GGA) [68] for modeling the exchange–correlation. Hence, for greater accuracy, we have used the Perdew–Burke–Ernzerhof (PBE) [69] and Heyd–Scuseria–Ernzerhof (HSE06) [70] functionals to model the exchange–correlation interactions with a screening

• interlayer interactions. The stability of the Ge2Se2 monolayer was estimated by phonon dispersion. The phonon dispersion has been calculated using density functional perturbation theory (DFPT), as implemented in the QE package. To compute the phonon spectra, we have estimated the second-order interatomic

Introducing third-generation periodic table descriptors for nano-qRASTR modeling of zebrafish toxicity of metal oxide nanoparticles

• Supratik Kar and
• Siyun Yang

Beilstein J. Nanotechnol. 2024, 15, 1142–1152, doi:10.3762/bjnano.15.93

• the outer electrons in larger atoms, which might reduce the efficiency of electronic interactions essential for binding or catalytic activity. Our nano-QSTR model suggests that the enzymatic activity of ZHE1 in zebrafish is influenced negatively by the total electronegativity of metals and the atomic

• . Conversely, MONPs with larger atomic radii and crystal ionic radii tend to exhibit a lower surface area-to-volume ratio, which can reduce their cellular interactions and uptake. This reduction in uptake can lead to less cellular dysfunction and toxicity. Larger atomic radii may result in MONPs that are less

Local work function on graphene nanoribbons

• Daniel Rothhardt,
• Amina Kimouche,
• Tillmann Klamroth and
• Regina Hoffmann-Vogel

Beilstein J. Nanotechnol. 2024, 15, 1125–1131, doi:10.3762/bjnano.15.91

• were covered by Au from the sample surface because of tip–sample interactions as we have observed a tip–sample contact prior to taking the data used here. All calculations were done using the Vienna Ab initio Simulation Package [28][29] (vasp-5.4.4) with the PBE functional [30] and a projector

Recent updates in applications of nanomedicine for the treatment of hepatic fibrosis

• Damai Ria Setyawati,
• Fransiska Christydira Sekaringtyas,
• Riyona Desvy Pratiwi,
• A’liyatur Rosyidah,
• Rohimmahtunnissa Azhar,
• Nunik Gustini,
• Gita Syahputra,
• Idah Rosidah,
• Etik Mardliyati,
• Tarwadi and
• Sjaikhurrizal El Muttaqien

Beilstein J. Nanotechnol. 2024, 15, 1105–1116, doi:10.3762/bjnano.15.89

• interactions The accumulation of any type of NPs in the liver is generally accomplished because of the central role of the liver itself as a main metabolic and excretory organ in the body. The presence of fenestrations in the layers of liver sinusoidal endothelial cells (LSECs) and the absence of the

Unveiling the potential of alginate-based nanomaterials in sensing technology and smart delivery applications

• Shakhzodjon Uzokboev,
• Khojimukhammad Akhmadbekov,
• Ra’no Nuritdinova,
• Salah M. Tawfik and
• Yong-Ill Lee

Beilstein J. Nanotechnol. 2024, 15, 1077–1104, doi:10.3762/bjnano.15.88

• solvent using the Doppler approach, which measures particle velocity as a function of voltage. The determination of the zeta potential is crucial in understanding the mechanism of drug–nanoparticle interactions [66]. In addition to the methods described above, Fourier-transform infrared spectroscopy is

• modified alginate materials for mucoadhesive drug delivery. Scientists combined the alginate hydroxy groups with maleimid-terminated PEG. This novel mucoadhesive biopolymer exhibited polymer–mucus glycoprotein interactions. The results showed that the new alginate-based mucoadhesive matrix can enhance the

Effect of wavelength and liquid on formation of Ag, Au, Ag/Au nanoparticles via picosecond laser ablation and SERS-based detection of DMMP

• Sree Satya Bharati Moram,
• Chandu Byram and
• Venugopal Rao Soma

Beilstein J. Nanotechnol. 2024, 15, 1054–1069, doi:10.3762/bjnano.15.86

• material with the incoming beam, including absorption, reflection, and scattering [47][48]. These interactions significantly vary across the wavelengths from 1064 down to 355 nm, with a unique response of different materials at each wavelength [49]. A key to enhancing the yield is choosing the laser

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

• nanostructured carbon coatings (nanodiamonds, carbon nanotubes, and graphene-related materials) for the improvement of the overall properties of medical implants. We are focusing on biological interactions, improved corrosion resistance, and overall mechanical properties, trying to provide a complete overview

• environment is a dynamic and complex area, where several biological, physical, and chemical interactions can take place simultaneously, including immunological response [27], mechanical mismatch with the tissue [28], degradation [29], responses to stimuli [30], and proliferation of bacteria [31]. In the next

• they still remain far below those of graphene. Last, GO and rGO show good interactions with polymeric matrices thanks to specific surface functionalizations [51]. Carbon nanotubes CNTs are an allotropic state of carbon discovered in the middle of the 20th century [52][53][54][55], which became famous

Entry of nanoparticles into cells and tissues: status and challenges

• Kirsten Sandvig,
• Tore Geir Iversen and
• Tore Skotland

Beilstein J. Nanotechnol. 2024, 15, 1017–1029, doi:10.3762/bjnano.15.83

• studies, and transport in vivo also holds true for these particles. We will start by describing the status and challenges when it comes to cellular uptake mechanisms, and in the last part discuss interactions of NPs with tissues and biodistribution of these particles. Endocytic Pathways Involved in

• proteins, including dominant-negative mutants, may, due to their high concentration, facilitate low-affinity interactions with partner proteins that they normally would not bind to. Furthermore, we have the challenge that a given molecule can be involved in more than one pathway. For instance, cdc42 is

• (Kupffer cells, i.e., the liver macrophages, liver sinusoidal endothelial cells (LSEC), and hepatocytes) in NP uptake [81]. A very recent study points to the importance of interactions between PEG-NPs with (apo)lipoproteins and scavenger receptors, and postulates that the high presence of these receptors

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

• calcium clusters. This may suggest that the electron interactions in such clusters are more localized compared to the delocalized electron sea assumed in the Jellium model. Another remarkable aspect of the cluster studies is to understand whether there is an underlying correlation between the ionization

Atomistic insights into the morphological dynamics of gold and platinum nanoparticles: MD simulations in vacuum and aqueous media

• Evangelos Voyiatzis,
• Eugenia Valsami-Jones and
• Antreas Afantitis

Beilstein J. Nanotechnol. 2024, 15, 995–1009, doi:10.3762/bjnano.15.81

• their energy interactions. The morphological changes in the NPs are measured using both atomic parameters, such as the coordination number and the Berry parameter, and cluster parameters, such as the X-ray powder diffraction pattern and the asphericity parameter. Furthermore, we extract qualitative

• information regarding the toxicity and reactivity of these NPs by monitoring the behaviour of nano-descriptors commonly employed in quantitative structure–activity relationship (QSAR) models and by measuring the water–NP energetic interactions. The extracted information from our simulations complements

• ] nanostructures. We also simulated Au and Pt NPs in aqueous solutions at 300 K, that is, close to room temperature. The interactions among the water molecules are described by the SPC/E model [66]. The interactions among the water molecules and the Au (Pt) atoms are calculated by the force field of Merabia et al

Beyond biomimicry – next generation applications of bioinspired adhesives from microfluidics to composites

• Dan Sameoto

Beilstein J. Nanotechnol. 2024, 15, 965–976, doi:10.3762/bjnano.15.79

• compliant and, thus, compatible with collaborative robotics, wearable components, and relatively safe human–robot interactions, which potentially provides a unique capability compared to traditional rigid robotics. However, there is a trade-off in soft robotics between the compliance of the material and the

Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification

• Indrasis Dasgupta,
• Totan Das,
• Biplab Das and
• Shovanlal Gayen

Beilstein J. Nanotechnol. 2024, 15, 909–924, doi:10.3762/bjnano.15.75

• bond donors present in a molecule [50]. Hydrogen bonds play an important role in interactions between molecules in various biological processes. However, for cellular uptake in the PaCa2 cell line, the contribution of hydrogen bonds has a negative impact as shown in Figure 7. A higher value of