Chitosan nanocomposite containing rotenoids: an alternative bioinsecticidal approach for the management of Aedes aegypti

• Maria A. A. Bertonceli,
• Vitor D. C. Cristo,
• Ivo J. Vieira,
• Francisco J. A. Lemos,
• Arnoldo R. Façanha,
• Raimundo Braz-Filho,
• Gustavo V. T. Batista,
• Luis G. M. Basso,
• Sérgio H. Seabra,
• Thalya S. R. Nogueira,
• Felipe F. Moreira,
• Arícia L. E. M. Assis,
• Antônia E. A. Oliveira and
• Kátia V. S. Fernandes

Beilstein J. Nanotechnol. 2025, 16, 1197–1208, doi:10.3762/bjnano.16.88

• for concentration calculations. Larvicidal activity assay The larvicidal assay was conducted according to the standards established by the World Health Organization [39] with adaptations [14]. Starting from an initial stock solution (10 mg nanoparticles/mL in water-diluted vinegar [to reach a 0.08

• % acetic acid concentration]), the nanoparticles were further diluted in ultrapure water to prepare concentrations of 50, 100, and 200 ppm of rotenoids, based on calculations obtained by HPLC. Vinegar, an easily accessible source of acetic acid, was employed because chitosan is a water-insoluble

Electronic and optical properties of chloropicrin adsorbed ZnS nanotubes: first principle analysis

• Prakash Yadav,
• Boddepalli SanthiBhushan and
• Anurag Srivastava

Beilstein J. Nanotechnol. 2025, 16, 1184–1196, doi:10.3762/bjnano.16.87

• the axis of the nanotube. A density mesh cutoff of 150 Rydberg was applied to define the real-space grid for energy calculations. The ZnS NT model, consisting of 36 atoms periodically arranged along the Z-direction, was structurally optimized to achieve geometric and energetic stability. Optimization

• , and projected density of states (DOS) calculations. This analysis provides critical insights into how the adsorption of CP molecules affects the electronic behavior of the NT. The band structure and DOS profile for pristine ZnS NT and CP-adsorbed ZnS NT in orientations A, B, C, and D are shown in

Transfer function of an asymmetric superconducting Gauss neuron

• Fedor A. Razorenov,
• Aleksander S. Ionin,
• Nikita S. Shuravin,
• Liubov N. Karelina,
• Mikhail S. Sidel’nikov,
• Sergey V. Egorov and
• Vitaly V. Bol’ginov

Beilstein J. Nanotechnol. 2025, 16, 1160–1170, doi:10.3762/bjnano.16.85

• [17][18], we get t = 0.2. Calculations based on Equation 52 give a similar shape of the TF (compared to Figure 6a) at ϕb = 0.3π. Thus, experimental results correspond to the expected ones, and a quantitative analysis shall be the subject of our subsequent publications. The problem with cross-talk

• ). Some methods of suppressing this interaction are discussed in [26]. The simplest ones include increasing the size of the screen and creating a reverse CL that is not coupled to the neuron (except screen-mediated coupling) and carries the control current in the opposite direction. Calculations show that

Crystalline and amorphous structure selectivity of ignoble high-entropy alloy nanoparticles during laser ablation in organic liquids is set by pulse duration

• Robert Stuckert,
• Felix Pohl,
• Oleg Prymak,
• Ulrich Schürmann,
• Christoph Rehbock,
• Lorenz Kienle and
• Stephan Barcikowski

Beilstein J. Nanotechnol. 2025, 16, 1141–1159, doi:10.3762/bjnano.16.84

• on density functional theory calculations of binding energies and machine learning algorithms for an efficient catalyst design [15][17][19]. The synthesis of HEA NPs has been realized by many methods, including carbothermal shock synthesis (CTS) [20][21], chemical reduction [22][23], fast-moving bed

Towards a quantitative theory for transmission X-ray microscopy

• James G. McNally,
• Christoph Pratsch,
• Stephan Werner,
• Stefan Rehbein,
• Andrew Gibbs,
• Jihao Wang,
• Thomas Lunkenbein,
• Peter Guttmann and
• Gerd Schneider

Beilstein J. Nanotechnol. 2025, 16, 1113–1128, doi:10.3762/bjnano.16.82

• . Supporting Information File 1 contains detailed descriptions for all other model calculations. We validated the code for computing the fields and for the pc-Mie model Equations 12 and 13 by comparing results for several approaches including numerical integration by the trapezoidal rule, numerical

Soft materials nanoarchitectonics: liquid crystals, polymers, gels, biomaterials, and others

• Katsuhiko Ariga

Beilstein J. Nanotechnol. 2025, 16, 1025–1067, doi:10.3762/bjnano.16.77

Time-resolved probing of laser-induced nanostructuring processes in liquids

• Maximilian Spellauge,
• David Redka,
• Mianzhen Mo,
• Changyong Song,
• Heinz Paul Huber and
• Anton Plech

Beilstein J. Nanotechnol. 2025, 16, 968–1002, doi:10.3762/bjnano.16.74

• melting point, melting sets in. The amount of molten material is given by the additional available energy beyond the heat capacity in the solid state to account for latent heat of melting [47][105], see calculations shown in Figure 6B. After full melting, the temperature of the particle will increase

• transient absorption, first through plasmon dampening and with increasing bubble size through the increase in scattering once the bubble reaches some 100 nm in diameter. A quantitative analysis of the change of the TAS signal as compared to Mie calculations can in some cases even reproduce the bubble

Shape, membrane morphology, and morphodynamic response of metabolically active human mitochondria revealed by scanning ion conductance microscopy

• Eric Lieberwirth,
• Anja Schaeper,
• Regina Lange,
• Ingo Barke,
• Simone Baltrusch and
• Sylvia Speller

Beilstein J. Nanotechnol. 2025, 16, 951–967, doi:10.3762/bjnano.16.73

• mitochondria; S3: Calculated difference images of a MG-63 osteoblast, metabolically active, isolated mitochondria, and a 3 μm microsphere, as well as further calculations to visualise the edge memory effect; S4: Additional observations at metabolically active mitochondria; S5: Connection of ζ-potential and

Characterization of ion track-etched conical nanopores in thermal and PECVD SiO₂ using small angle X-ray scattering

• Shankar Dutt,
• Rudradeep Chakraborty,
• Christian Notthoff,
• Pablo Mota-Santiago,
• Christina Trautmann and
• Patrick Kluth

Beilstein J. Nanotechnol. 2025, 16, 899–909, doi:10.3762/bjnano.16.68

• calculations for PECVD SiO2 thin films used values for the density and composition from our previous study [47]. In both layers, the projected ranges when irradiated with 185 and 89 MeV Au ions were ≈20 μm and ≈14 μm, respectively, whereas the projected ranges for thermal and PECVD SiO2 irradiated with 1.6 GeV

Synchrotron X-ray photoelectron spectroscopy study of sodium adsorption on vertically arranged MoS₂ layers coated with pyrolytic carbon

• Alexander V. Okotrub,
• Anastasiya D. Fedorenko,
• Anna A. Makarova,
• Veronica S. Sulyaeva,
• Yuliya V. Fedoseeva and
• Lyubov G. Bulusheva

Beilstein J. Nanotechnol. 2025, 16, 847–859, doi:10.3762/bjnano.16.64

• (according to calculations above 1.75 Na per unit MoS2), the intercalate decomposes into amorphous Na2S and Mo; this reaction occurs at potentials below 0.8 V vs Na/Na+ [3]. The reaction products cannot be converted back to MoS2 due to the strong Na–S bonding [5]. The irreversible conversion reaction

• carbon component to MoS2, as shown by density functional theory (DFT) calculations for the MoS2/graphene heterostructure [44][45]. According to the DFT calculations, the changes observed in the PyC-MoS2 spectrum between the π* and σ* resonances may result from the interaction of the π electrons of carbon

Supramolecular hydration structure of graphene-based hydrogels: density functional theory, green chemistry and interface application

• Hon Nhien Le,
• Duy Khanh Nguyen,
• Minh Triet Dang,
• Huyen Trinh Nguyen,
• Thi Bang Tam Dao,
• Trung Do Nguyen,
• Chi Nhan Ha Thuc and
• Van Hieu Le

Beilstein J. Nanotechnol. 2025, 16, 806–822, doi:10.3762/bjnano.16.61

• theory modeling (DFT) and dispersion energy correction functional (DFT-D3). The theoretical work aimed to elucidate the relationship between water intercalation and intersheet binding energy in quantum mechanical level. The computational calculations quantified intersheet distance, van der Waals force

• described in the results and discussion. Methods Computation method of density functional theory First-principles calculations based on DFT were conducted using the Vienna ab initio simulation software (VASP) and a high-performance computing system (HPC). The projector-augmented wave method (PAW) was

• implemented in electronic structure calculations. Generalized gradient approximation of Perdew–Burke–Ernzerhof (GGA-PBE) was used for describing exchange-correlation energy of electron–electron interactions. The correction of van der Waals dispersion energy was applied using the DFT-D3 method proposed by

Thickness dependent oxidation in CrCl₃: a scanning X-ray photoemission and Kelvin probe microscopies study

• Shafaq Kazim,
• Rahul Parmar,
• Maryam Azizinia,
• Matteo Amati,
• Muhammad Rauf,
• Andrea Di Cicco,
• Seyed Javid Rezvani,
• Dario Mastrippolito,
• Luca Ottaviano,
• Tomasz Klimczuk,
• Luca Gregoratti and
• Roberto Gunnella

Beilstein J. Nanotechnol. 2025, 16, 749–761, doi:10.3762/bjnano.16.58

• the halides. This has been supported by self-consistent band structure calculations by Antoci and Mihich [7], which introduced spin degeneracy, demonstrating that CrCl3 and CrBr3 behave as metallic system because of the prominent role of the 3d states near Fermi level. In our previous publications [8

• confirmed by the high energy of Cl vacancies found by total energy calculations [9]. Kelvin probe force microscopy (KPFM) measurements One look at the surface potential of the samples could complement our analysis. Figure 8a,c shows topographic maps and the corresponding thickness profiles of CrCl3 flakes

Efficiency of single-pulse laser fragmentation of organic nutraceutical dispersions in a circular jet flow-through reactor

• Tina Friedenauer,
• Maximilian Spellauge,
• Alexander Sommereyns,
• Verena Labenski,
• Tuba Esatbeyoglu,
• Christoph Rehbock,
• Heinz P. Huber and
• Stephan Barcikowski

Beilstein J. Nanotechnol. 2025, 16, 711–727, doi:10.3762/bjnano.16.55

• . Moreover, the created surface area is also a descriptor highly relevant for application (as the solubility of hydrophobic particle dispersions in water is proportional to the surface [67][68]). For simplified calculations of the total surface created by LFL, we assumed all particles to be ideal spheres

• of 309 and 59 m−1, respectively (assuming the same ratio of absorption of curcumin and CBD, Figure S14, Supporting Information File 1), were experimentally determined by Beer–Lambert calculations of the attenuation of the laser light and the measured ratio of absorption in the double integrating

• concentration effects attenuating the laser beam, which will be considered in the discussion. Details on the calculations of fluence, PPV, and Reynolds numbers can be found in Supporting Information File 1 (Equations S1–S7), while values used in these calculations are listed in Tables S1 and S2, Supporting

Nanoscale capacitance spectroscopy based on multifrequency electrostatic force microscopy

• Pascal N. Rohrbeck,
• Lukas D. Cavar,
• Franjo Weber,
• Peter G. Reichel,
• Mara Niebling and
• Stefan A. L. Weber

Beilstein J. Nanotechnol. 2025, 16, 637–651, doi:10.3762/bjnano.16.49

• generate structures with a defined dielectric response, we prepared a series of microcapacitors. We used these structures to compare the C′ and C″ distance dependencies from several force–distance curves with model calculations using tip–sample models from the literature, as well as for dielectric

• MFH-EFM as compared to conventional methods, we calculate the distance dependence of the first- and second-order capacitance gradients in an ideal cantilever. We compare our calculations to experimentally obtained force–distance curves. We then show the first practical examples of high-frequency

•  21 and Figure 10 below). In Figure 4, we compare the respective contributions to the first and second capacitance gradients together with the corresponding electrostatic forces during a typical AFM experiment as functions of tip–sample distance z. For the force calculations, we used Equation 12

Focused ion and electron beams for synthesis and characterization of nanomaterials

• Aleksandra Szkudlarek

Beilstein J. Nanotechnol. 2025, 16, 613–616, doi:10.3762/bjnano.16.47

• by Oddur Ingólfsson’s group [6], supported by quantum chemical calculations, revealed that chlorine removal during focused electron beam induced deposition (FEBID) was nearly complete, in contrast to the limited chlorine loss observed in gas-phase experiments. Previous studies have shown that gas

Retrieval of B1 phase from high-pressure B2 phase for CdO nanoparticles by electronic excitations in Cd_xZn_1−xO composite thin films

• Arkaprava Das,
• Marcin Zając and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2025, 16, 551–560, doi:10.3762/bjnano.16.43

• be irreversible, our findings suggest that with the appropriate choice of irradiating ions and energies, the recovery of the B1 phase is possible. Complementary to this experimental investigation, we conducted thermal spike calculations with 120 MeV Ag ions in rock salt CdO. Experimental Thin films

Electron beam-based direct writing of nanostructures using a palladium β-ketoesterate complex

• Chinmai Sai Jureddy,
• Krzysztof Maćkosz,
• Aleksandra Butrymowicz-Kubiak,
• Iwona B. Szymańska,
• Patrik Hoffmann and
• Ivo Utke

Beilstein J. Nanotechnol. 2025, 16, 530–539, doi:10.3762/bjnano.16.41

• room temperature. Comparison of [Pd(tbaoac)2] and [Cu(tbaoac)2] FEBID deposit compositions along with the experimental parameters employed. Supporting Information Supporting Information File 36: Additional experimental details and details on the theoretical calculations. Funding This work was funded

Water in nanoporous hexagonal boron nitride nanosheets: a first-principles study

• Juliana A. Gonçalves,
• Ronaldo J. C. Batista and
• Marcia C. Barbosa

Beilstein J. Nanotechnol. 2025, 16, 510–519, doi:10.3762/bjnano.16.39

• desalination technology [4][5][6]. Computational methods have been employed to enhance the understanding of nanoscale desalination processes. In this context, the use of molecular dynamics and ab initio calculations allows for the study of the physics involved in nanostructured membrane materials designed to

• passage of ions and polar molecules. However, the use of h-BN as a membrane for water desalination is still a relatively new area of research. In this paper we propose an analysis using first-principles calculations to understand the stability of pores in monolayer h-BN and their interaction with water

• . The remainder of the paper is organized as follows: In section “Theoretical Methods”, we present the details of the calculations, in section “Results and Discussion”, results are shown and discussed, and section “Conclusion” brings the conclusions. Theoretical Methods We performed calculations based

N₂⁺-implantation-induced tailoring of structural, morphological, optical, and electrical characteristics of sputtered molybdenum thin films

• Usha Rani,
• Kafi Devi,
• Divya Gupta and
• Sanjeev Aggarwal

Beilstein J. Nanotechnol. 2025, 16, 495–509, doi:10.3762/bjnano.16.38

• implantation-induced damages. These calculations provide detailed insights into the distribution of incident ions and the ion damage cascades within the molybdenum target material. The range of the nitrogen ions is 184 ± 98 Å, which is significantly less than the thickness of the thin films, as shown in Figure

Quantification of lead through rod-shaped silver-doped zinc oxide nanoparticles using an electrochemical approach

• Ravinder Lamba,
• Gaurav Bhanjana,
• Neeraj Dilbaghi,
• Vivek Gupta and
• Sandeep Kumar

Beilstein J. Nanotechnol. 2025, 16, 422–434, doi:10.3762/bjnano.16.33

• can influence the calculation of lead concentration. Table 1 illustrates that the designed sensor and the proposed technique yielded reasonable outcomes. The obtained results are compatible with theoretical calculations, demonstrating the feasibility of the proposed standardized technique. Table 2

Development of a mucoadhesive drug delivery system and its interaction with gastric cells

• Ahmet Baki Sahin,
• Serdar Karakurt and
• Deniz Sezlev Bilecen

Beilstein J. Nanotechnol. 2025, 16, 371–384, doi:10.3762/bjnano.16.28

• nanoparticle administration, the purpose of which was to eliminate non-specific adsorption of nanoparticles onto the well. The calculation of relative mucus interaction was performed as described elsewhere [76] with the formula given in the Experimental section. Based on the calculations, the fractions of

Vortex lattices of layered HTSCs at different vortex–vortex interaction potentials

• Valerii P. Lenkov,
• Anastasia N. Maksimova,
• Anna N. Moroz and
• Vladimir A. Kashurnikov

Beilstein J. Nanotechnol. 2025, 16, 362–370, doi:10.3762/bjnano.16.27

• interaction potential of which is identical in shape to the interaction potential in ferromagnetic superconductors. The modeling results can also be useful for analyzing vortex configurations in a layered anisotropic HTSC in an inclined magnetic field. Methods Calculations were performed using the Monte Carlo

• . As further calculations show, this leads to the formation of clusters, the number of vortices in which can reach 100. The shape of the potential from Equation 3 depends significantly on the value of the magnetic susceptibility of the superconductor, χ0. With an increase in χ0, the depth of the

• are selected in such a way that the numerical values of the potential at large distances approximately correspond to the potential from Equation 1. In the calculations it was assumed that λ(0) = 180 nm and ξ(0) = 2 nm. The critical temperature was taken to be 84 K. The first critical field with this

Enhancing mechanical properties of chitosan/PVA electrospun nanofibers: a comprehensive review

• Nur Areisman Mohd Salleh,
• Amalina Muhammad Afifi,
• Fathiah Mohamed Zuki and
• Hanna Sofia SalehHudin

Beilstein J. Nanotechnol. 2025, 16, 286–307, doi:10.3762/bjnano.16.22

• membrane can be tricky in terms of handling and thickness measurements used for stress calculations [132]. Preparation of specimens requires attention to prevent damage, pretension, or slipping from grips during testing. Maccaferri et al. [133] demonstrated the use of a paper frame to hold the specimen in

A review of metal-organic frameworks and polymers in mixed matrix membranes for CO₂ capture

• Charlotte Skjold Qvist Christensen,
• Nicholas Hansen,
• Mahboubeh Motadayen,
• Nina Lock,
• Martin Lahn Henriksen and
• Jonathan Quinson

Beilstein J. Nanotechnol. 2025, 16, 155–186, doi:10.3762/bjnano.16.14

• functional theory (DFT) calculations and supported by neutron powder diffraction experiments and infrared spectroscopy [52][63][64][65]. It is agreed in literature that CO2 molecules bind to Mg2+ sites with end-on coordination, forming an angular Mg2+·OCO complex, with the rotation angle θ depending on the

• degree of CO2 loading [52][64]. The intramolecular angle of CO2 is a matter of debate due to conflicting findings. Neutron diffraction profiles unexpectedly seem to predict large apparent O–C–O bond bending, that is, bond angles of 160–167° [63][66], while theoretical calculations based on DFT only

Advanced atomic force microscopy techniques V

• Philipp Rahe,
• Ilko Bald,
• Nadine Hauptmann,
• Regina Hoffmann-Vogel,
• Harry Mönig and
• Michael Reichling

Beilstein J. Nanotechnol. 2025, 16, 54–56, doi:10.3762/bjnano.16.6

• carry out a more detailed characterization of the optoelectronic properties. Rothhardt et al. map the local work function on graphene nanoribbons [7]. They experimentally investigate the charge transfer between a gold substrate and graphene nanoribbons and compare that to DFT calculations. Indeed, the

• calculations. Eftekari et al. measure the local surface photovoltage generated in a silicon photodiode integrated with a piezoelectric membrane [8]. The design of such a device allows for the laterally resolved simultaneous quantification of the photovoltage generated by the photodiode as well as the