Multifunctional anionic nanoemulsion with linseed oil and lecithin: a preliminary approach for dry eye disease

• Niédja Fittipaldi Vasconcelos,
• Almerinda Agrelli,
• Rayane Cristine Santos da Silva,
• Carina Lucena Mendes-Marques,
• Isabel Renata de Souza Arruda,
• Priscilla Stela Santana de Oliveira,
• Mércia Liane de Oliveira and
• Giovanna Machado

Beilstein J. Nanotechnol. 2025, 16, 1711–1733, doi:10.3762/bjnano.16.120

• phase. The supernatant was washed three times with 10% (w/v) citric acid and then concentrated via rotary evaporation. A 2 µL aliquot of the supernatant was injected in split injection mode (1:10 in ethyl acetate) into a gas chromatograph with flame ionization detection (GC-FID) model 7290 A (Agilent

• determined by electrophoretic mobility using the same instrument at 25 °C. Calculations were based on the Smoluchowski model. All measurements were performed in triplicate and expressed as mean ± standard deviation. pH Value The pH value of the pre-formulation and nanoformulations was measured using a

Beyond the bilayer: multilayered hygroscopic actuation in pine cone scales

• Kim Ulrich,
• Max David Mylo,
• Tom Masselter,
• Fabian Scheckenbach,
• Sophia Fischerbauer,
• Martin Nopens,
• Silja Flenner,
• Imke Greving,
• Linnea Hesse and
• Thomas Speck

Beilstein J. Nanotechnol. 2025, 16, 1695–1710, doi:10.3762/bjnano.16.119

• our samples inside the chamber, as well as a side view of the samples, were recorded externally every 10 min using a single-board computer (Raspberry Pi 4 Model B, Raspberry Pi Foundation, Cambridge, UK) connected to a temperature and humidity sensor (DHT22, Sertronics GmbH, Berlin, Germany) and a

• cross sections were taken from positions 2.5, 5.5, 7.5, and 11.5 mm more apical. These five cross-sectional positions were then used as control points with the same longitudinal spacing between them to extrude the volume model. Since the sclerenchyma fibers branch along the longitudinal axis of a scale

• X- and Y-directions (spanning the cross section of each model), the mean value of the two measured values was used, while the Z-value (from the basal to the apical end of the models) was derived directly. The same coefficients were used in all simulations. A linear elastic material model was applied

Ambient pressure XPS at MAX IV

• Mattia Scardamaglia,
• Ulrike Küst,
• Alexander Klyushin,
• Rosemary Jones,
• Jan Knudsen,
• Robert Temperton,
• Andrey Shavorskiy and
• Esko Kokkonen

Beilstein J. Nanotechnol. 2025, 16, 1677–1694, doi:10.3762/bjnano.16.118

• operando. With IRRAS, vibrational information is available, which greatly complements the electronic information obtained by photoelectron spectroscopy. This combination enables a more complete picture of surface reaction mechanisms. The examples discussed here focus on “model catalysts”, that is, systems

• where the active phase is well defined and often prepared on single crystals. While studies on industrial catalysts are limited by charging effects (insulating oxide-supported samples) and higher pressure requirements, model systems remain invaluable for fundamental insights. We now turn to specific

• here. Instead, we focus on a study by Vesselli and co-workers that directly addresses catalytic activity in a biomimetic SAC system [20][21]. In their work, a cobalt single-atom biomimetic model catalyst is based on a self-assembled monolayer of Co-porphyrins grown on an almost free-standing graphene

Energy spectrum and quantum phase transition of the coupled single spin and an infinitely coordinated Ising chain

• Seidali Seidov,
• Natalia Pugach and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2025, 16, 1668–1676, doi:10.3762/bjnano.16.117

• .16.117 Abstract In this work we consider a spin model composed of a single spin and connected to an infinitely coordinated Ising chain. Theoretical models of this type arise from various fields of theoretical physics, such as theory of open systems, quantum control, and quantum computations. In the

• thermodynamic limit of an infinite chain, we map the chain Hamiltonian to the Hamiltonian of the Lipkin–Meshkov–Glik model, and the system as a whole is described by a generalized Rabi Hamiltonian. Next, the effective Hamiltonian is obtained using the Foulton–Gouterman transformation. In the thermodynamic limit

• we obtain the spectrum of the whole system and study the properties of the ground-state quantum phase transition. Keywords: Ising chain; Lipkin–Meshkov–Glick model; quantum phase transitions; Introduction In the present manuscript, we consider a single spin connected to an infinitely coordinated

Prospects of nanotechnology and natural products for cancer and immunotherapy

• Jan Filipe Andrade Santos,
• Marcela Bernardes Brasileiro,
• Pamela Danielle Cavalcante Barreto,
• Ligiane Aranha Rocha and
• José Adão Carvalho Nascimento Júnior

Beilstein J. Nanotechnol. 2025, 16, 1644–1667, doi:10.3762/bjnano.16.116

• nanoparticles were obtained by precipitation and freeze-drying and were analyzed by HPLC and DLS. Additionally, the in vivo studies performed in a mice model with breast cancer tumor (4T1 cell) showed that the drug exhibits a level of biosafety while reaching 44% tumor inhibition [75]. Polysaccharide

Venom-loaded cationic-functionalized poly(lactic acid) nanoparticles for serum production against Tityus serrulatus scorpion

• Philippe de Castro Mesquita,
• Karla Samara Rocha Soares,
• Manoela Torres-Rêgo,
• Emanuell dos Santos-Silva,
• Mariana Farias Alves-Silva,
• Alianda Maira Cornélio,
• Matheus de Freitas Fernandes-Pedrosa and
• Arnóbio Antônio da Silva-Júnior

Beilstein J. Nanotechnol. 2025, 16, 1633–1643, doi:10.3762/bjnano.16.115

• : zero order, first order, Korsmeyer–Peppas, and parabolic diffusion (Table 2). The zero order, first order, and Korsmeyer–Peppas models exhibiting determination coefficient (r2) values demonstrate that the release mechanism cannot be explained by these models. The parabolic diffusion model better fitted

• , based on the analysis of the determination coefficient (r²), obtained from the application of four mathematical models to experimental data, the model that explains the release profile of the venom-loaded PLA nanoparticles has been identified, and a more accurate adjustment was observed for the

• parabolic diffusion model. This mathematical model suggests that the release mechanism of venom-loaded PLA nanoparticles was controlled by diffusion dependent on the protein-loading level [18]. These results corroborate with previous studies that used nanoparticles for venom protein delivery [42][43

Bioinspired polypropylene-based functionally graded materials and metamaterials modeling the mistletoe–host interface

• Lina M. Rojas González,
• Naeim Ghavidelnia,
• Christoph Eberl and
• Max D. Mylo

Beilstein J. Nanotechnol. 2025, 16, 1592–1606, doi:10.3762/bjnano.16.113

• ]. Biological materials and their highly modified structure–function relationship are designed to enable organisms to survive and/or adapt to the environmental conditions in which they live [24][25]. The European mistletoe (Viscum album) is an excellent model of a long-lasting connection between two material

• . Additionally, we will examine how this structuring can be employed to model local failure behavior through material distribution. Furthermore, we will investigate the transferability of the FGM framework to mechanical metamaterials, with the aim of expanding their geometry-based properties through graded

• and material gradients, finite element (FE) simulations were performed using small deformation implicit modeling. The linear solver of the ANSYS static structural module was used for the FE simulations. Due to the low thickness of the metamaterial structures, the plane stress 2D model (PLANE 183

Few-photon microwave fields for superconducting transmon-based qudit control

• Irina A. Solovykh,
• Andrey V. Pashchenko,
• Natalya A. Maleeva,
• Nikolay V. Klenov,
• Olga V. Tikhonova and
• Igor I. Soloviev

Beilstein J. Nanotechnol. 2025, 16, 1580–1591, doi:10.3762/bjnano.16.112

• transmon (a slightly nonlinear oscillator) is quite close to the equidistant one; however, a number of widely used theoretical models describing its evolution in an external electromagnetic field (the Jaynes–Cummings model) do not take into account the high-lying energy levels of the artificial atom, nor

• non-classical field and a transmon-based qudit with several, even high-lying, levels being taken into account. We develop methods of rapid quantum control of the designed transmon-based qudit and its state population dynamics. The structure of the article is as follows: First, the model of the system

• under study is described in more detail, followed by a theoretical description of the Fock-based control of the qudit states and a discussion of possible practical implementations. Results Model description The system under consideration consists of a high-quality superconducting resonator (the quality

Photocatalytic degradation of ofloxacin in water assisted by TiO₂ nanowires on carbon cloth: contributions of H₂O₂ addition and substrate absorbability

• Iram Hussain,
• Lisha Zhang,
• Zhizhen Ye and
• Jin-Ming Wu

Beilstein J. Nanotechnol. 2025, 16, 1567–1579, doi:10.3762/bjnano.16.111

• investigation, we extend the application to drug pollution treatments with OFL as a model molecule. Since H2O2 produces reactive oxygen species (ROS), which promote the oxidation and degradation of OFL, H2O2 was introduced into the system to increase the photocatalytic efficiency, and the impacts of its

• irradiance meter (Model UV-A, Beijing Normal University). The solution was maintained in darkness, and the UV light was activated following the establishment of a dark adsorption–desorption equilibrium for three hours. The degradation experiments were repeated in triplicate to ensure statistical reliability

• -first-order kinetic model, as determined by Equation 3: The concentration of OFL was assessed using high-performance liquid chromatography with a C18 column maintained at 30 °C. The UV–vis detector was calibrated to a wavelength of 292 nm. The mobile phase consisted of a 15:85 ratio of methanol to 0.8

Modeling magnetic properties of cobalt nanofilms used as a component of spin hybrid superconductor–ferromagnetic structures

• Aleksey Fedotov,
• Olesya Severyukhina,
• Anastasia Salomatina and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2025, 16, 1557–1566, doi:10.3762/bjnano.16.110

• ., Dolgoprudny, 141701, Russia 10.3762/bjnano.16.110 Abstract The paper presents a mathematical model for studying the magnetic behavior of atoms, which takes into account spin and interatomic interactions. Two problems were solved by means of mathematical modeling. At the first stage, the problem of modeling a

• previously obtained data confirmed the adequacy of the applied mathematical model. The second stage of numerical studies was devoted to the analysis of the magnetic behavior of cobalt nanofilms of different thicknesses. It was shown that the film thickness has a significant influence on the magnetic

• materials science. These properties depend not only on the composition, but also on factors such as film thickness, which in turn affects their application in microelectronics, spintronics, and other high-tech fields. The aim of this article is to model the magnetic properties of cobalt nanofilms of

Dendrimer-modified carbon nanotubes for the removal and recovery of heavy metal ions from water

• Thao Quynh Ngan Tran,
• Huu Trung Nguyen,
• Subodh Kumar and
• Xuan Thang Cao

Beilstein J. Nanotechnol. 2025, 16, 1522–1532, doi:10.3762/bjnano.16.107

• ions (Pb2+ and Cd2+) from aqueous solutions with enhanced recyclability than less dendrimerized CNTs. Kinetic studies have revealed that the adsorption process followed a pseudo-second order kinetic model, and the rate-limiting step was mainly chemisorption. This study has not only excluded the

• models: pseudo-first order and pseudo-second order. These models have been described by their respective equations (Supporting Information File 1, Equations S1 and S2). For the pseudo-first order kinetic model, a linear plot of ln(qe − qt) as a function of time (t) was drawn at different initial

• concentrations of metal ions (Figure 4a and Supporting Information File 1, Table S1). The correlation coefficients were calculated to be relatively low. In contrast, the pseudo-second order kinetic model represented by the plot of t/qt against time (t) demonstrated a much better fit with higher correlation

Laser processing in liquids: insights into nanocolloid generation and thin film integration for energy, photonic, and sensing applications

• Akshana Parameswaran Sreekala,
• Pooja Raveendran Nair,
• Jithin Kundalam Kadavath,
• Bindu Krishnan,
• David Avellaneda Avellaneda,
• M. R. Anantharaman and
• Sadasivan Shaji

Beilstein J. Nanotechnol. 2025, 16, 1428–1498, doi:10.3762/bjnano.16.104

• model, which was experimentally validated. In 2010, as research on pulsed laser irradiation progressed, Koshizaki’s group explored the potential of non-focused laser beams with moderate fluence, lower than the ablation threshold, to irradiate colloidal NPs [42][48][49][64][65][66][67]. Their findings

• used to deposit photoresist films for microelectronic manufacturing, where understanding the interaction between liquid flow and mass transfer during the process became crucial as device sizes decreased. A one-dimensional model of spin coating was developed to describe film thinning due to both

• thicknesses ranging from micrometers to nanometers. A mathematical model was derived to explain the dominant mechanisms in film formation, considering factors such as evaporation and shear stress, and extending the analysis to non-Newtonian fluids [102]. Despite its widespread use, the process faces

The role of biochar in combating microplastic pollution: a bibliometric analysis in environmental contexts

• Tuan Minh Truong Dang,
• Thao Thu Thi Huynh,
• Guo-Ping Chang-Chien and
• Ha Manh Bui

Beilstein J. Nanotechnol. 2025, 16, 1401–1416, doi:10.3762/bjnano.16.102

• interactions in soil [31]. Biochar properties The physical and chemical properties of biochar depend significantly on the composition of its feedstock [46]. Molecular model calculations and quantum chemistry analyses suggest that biochar derived from wood exhibits superior physical properties, such as porosity

• Information File 1, covering a range of MPs, including PE, PS, polyamide (PA), and mixtures such as LDPE, polyethylene terephthalate (PET), PA, polycarbonate, PE, PS, and PVC [33][42][66][67]. Among these, PS is frequently utilized as a model MP due to its uniform composition and quantifiability, making it a

• the heart and kidneys [69]. Therefore, the removal of increasingly smaller MPs has become an urgent focus in MP treatment research. The treatment of PS using biochar derived from London plane tree pyrolyzed at 550 °C in a complete mixing model demonstrated an adsorption capacity of 60.05 mg·g−1

Synthesis and antibacterial properties of nanosilver-modified cellulose triacetate membranes for seawater desalination

• Lei Wang,
• Shizhe Li,
• Kexin Xu,
• Wenjun Li,
• Ying Li and
• Gang Liu

Beilstein J. Nanotechnol. 2025, 16, 1380–1391, doi:10.3762/bjnano.16.100

• membrane exhibited significant antibacterial activity, reducing the number of attached live bacteria by 80−95% for three different model bacterial strains (Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus). The Cu NPs could be reloaded onto the membrane surface after depletion

Automated collection and categorisation of STM images and STS spectra with and without machine learning

• Dylan Stewart Barker and
• Adam Sweetman

Beilstein J. Nanotechnol. 2025, 16, 1367–1379, doi:10.3762/bjnano.16.99

• work aimed to classify the state of a STM tip based on STS measurements of the Au(111) surface. Using a total of 1789 archived spectra, a ML model was trained which aimed to classify new spectra into one of five categories, based on the similarity of each the spectrum to an idealised surface state

• addition to the lack of data, ML models require careful labelling and a high level of knowledge from the labeller to be able to train such a model. Switching to a new substrate system is likely to require retraining of the model, and furthermore, even after a successful training, it is still often unclear

• what the model is learning from the input data, a problem which leads to these models being referred to as a “black box”. Because of these limitations, there is a strong case to develop methods which do not rely on ML, circumventing these drawbacks whilst still being able to make precise

Enhancing the therapeutical potential of metalloantibiotics using nano-based delivery systems

• Alejandro Llamedo,
• Marina Cano,
• Raquel G. Soengas and
• Francisco J. García-Alonso

Beilstein J. Nanotechnol. 2025, 16, 1350–1366, doi:10.3762/bjnano.16.98

• zebrafish embryo model, showing improved survival rates against pneumococcal infections on treatment with auranofin-loaded NPs compared to free auranofin. In another example, the gold(III) bisdithiolate complex 11 (Figure 4) was encapsulated in block copolymer micelles (BCMs) to improve solubility

Deep-learning recognition and tracking of individual nanotubes in low-contrast microscopy videos

• Vladimir Pimonov,
• Said Tahir and
• Vincent Jourdain

Beilstein J. Nanotechnol. 2025, 16, 1316–1324, doi:10.3762/bjnano.16.96

• series of video processing steps to enhance contrast and used differential treatment techniques to manage low signal and fast kinetics. The DL model demonstrates consistency with manual measurements and increased throughput, laying the foundation for statistical studies of nanotube growth. The approach

• filtering, and object edge contrast was enhanced using Gaussian difference filtering. Finally, image contrast was optimized through histogram equalization [10]. Deep learning model The deep learning model and its training are detailed in Supporting Information File 1. In short, an image recognition system

• a deep learning model to recognize and track both growing nanotubes (dark segments) and structural changes (bright segments) in such differential videos. The model was also trained at recognizing optical marks and catalyst lines (Figure 2) [20]. Kinetic data extraction proceeded in the following

Wavelength-dependent correlation of LIPSS periodicity and laser penetration depth in stainless steel

• Nitin Chaudhary,
• Chavan Akash Naik,
• Shilpa Mangalassery,
• Jai Prakash Gautam and
• Sri Ram Gopal Naraharisetty

Beilstein J. Nanotechnol. 2025, 16, 1302–1315, doi:10.3762/bjnano.16.95

• wavelength remains not fully understood, despite numerous studies on this topic. The most puzzling aspect of our current results is the decrease in the periodicity of LIPSS after irradiation with wavelengths beyond 2000 nm. Further experiments and theoretical studies are necessary to develop a precise model

• or understand the underlying mechanisms. In pursuit of this understanding, we monitored the formation of plasma and the depth of laser penetration inside the material for all wavelengths of femtosecond laser irradiations. According to the plasmonic model, when the radiation is incident at a normal

• medium) and εm = (n + ik)2, n is the real part of the refractive index of the metal, and k is the coefficient of extinction. According to this model, the periodicity should exhibit an increasing trend with wavelength when there is no resonance. However, the experiments presented in this work show some

Acrocomia aculeata oil-loaded nanoemulsion: development, anti-inflammatory properties, and cytotoxicity evaluation

• Verónica Bautista-Robles,
• Hady Keita,
• Edgar Julián Paredes Gamero,
• Layna Tayná Brito Leite,
• Jessica de Araújo Isaías Muller,
• Mônica Cristina Toffoli Kadri,
• Ariadna Lafourcade Prada and
• Jesús Rafael Rodríguez Amado

Beilstein J. Nanotechnol. 2025, 16, 1277–1288, doi:10.3762/bjnano.16.93

• [52]. In this study, acute inflammation was induced via subplantar injection of carrageenan, a sulfated polysaccharide known to stimulate edema through the release of pro-inflammatory mediators associated with hyperalgesia and vascular alterations [53][54]. The paw edema model provides a reliable

• efficient interaction with cellular receptors, contributing to its heightened bioactivity [57]. Collectively, these findings suggest that bocaiúva oil-based nanoemulsions hold promising potential as anti-inflammatory agents. Further analysis using the carrageenan-induced paw edema model revealed that the

Better together: biomimetic nanomedicines for high performance tumor therapy

• Imran Shair Mohammad,
• Gizem Kursunluoglu,
• Anup Kumar Patel,
• Hafiz Muhammad Ishaq,
• Cansu Umran Tunc,
• Dilek Kanarya,
• Mubashar Rehman,
• Omer Aydin and
• Yin Lifang

Beilstein J. Nanotechnol. 2025, 16, 1246–1276, doi:10.3762/bjnano.16.92

• ) surface coupling (Figure 3). Generally, RBC membranes can be separated by hypotonic treatment to remove intracellular components (Figure 3A,B). Erythrocyte drug loading has been demonstrated by encapsulating artemether as a model drug and using different modifications of the hypotonic methods [27]. When

Functional bio-packaging enhanced with nanocellulose from rice straw and cinnamon essential oil Pickering emulsion for fruit preservation

• Tuyen B. Ly,
• Duong D. T. Nguyen,
• Hieu D. Nguyen,
• Yen T. H. Nguyen,
• Bup T. A. Bui,
• Kien A. Le and
• Phung K. Le

Beilstein J. Nanotechnol. 2025, 16, 1234–1245, doi:10.3762/bjnano.16.91

• materials (BP, rBP, and rCBP) was observed using a scanning electron microscope (SEM), model Primas E (US). The samples were coated with Pt for 30 s prior to measurement. Bioactive properties UV absorption. Transparency and UV absorption of the films were determined using UV–vis spectroscopy in the

Hydrogels and nanogels: effectiveness in dermal applications

• Jéssica da Cruz Ludwig,
• Diana Fortkamp Grigoletto,
• Daniele Fernanda Renzi,
• Wolf-Rainer Abraham,
• Daniel de Paula and
• Najeh Maissar Khalil

Beilstein J. Nanotechnol. 2025, 16, 1216–1233, doi:10.3762/bjnano.16.90

• suppressions of ear edema, pruritus, high IgE levels, epidermal swelling, and mast cell infiltration in Balb/c mouse model [62]. Temperature- and pH-responsive hydrogels loaded with gallic acid were developed using a combination of biocompatible polymers: Pluronic F-127, N,N,N-trimethyl chitosan, and

• polyethylene glycolated hyaluronic acid. The system was designed to be incorporated into therapeutic fabrics for transdermal application, making it a potentially valuable tool for treating conditions such as atopic dermatitis. The release mechanism of gallic acid followed a first-order kinetic model, in which

• test was performed with a collagen-induced arthritis model. The methotrexate nanogel showed significant improvement in the hind paw edema, reduced arthritic score, reduction in joint damage (histological and radiological), and attenuation of serum cytokines levels, such as TNF-alpha and IL-6. The

Investigation of the solubility of protoporphyrin IX in aqueous and hydroalcoholic solvent systems

• Michelly de Sá Matsuoka,
• Giovanna Carla Cadini Ruiz,
• Marcos Luciano Bruschi and
• Jéssica Bassi da Silva

Beilstein J. Nanotechnol. 2025, 16, 1209–1215, doi:10.3762/bjnano.16.89

• min. The dissolution profiles of the micellar systems were also evaluated using the Korsmeyer–Peppas model with lag time (tlag), which indicated a Fickian diffusion mechanism, preceded by a thermodynamically driven accommodation stage of PpIX into the micelles. The solubility of PpIX ranged from 0.138

• , including zero-order, first-order, Higuchi, and Korsmeyer–Peppas were evaluated for both conventional and micellar systems. However, most of them could not fit the results. The best fit was obtained by using the Korsmeyer–Peppas model with lag time (tlag), only for the systems containing P407 (Table 1). The

• lag time parameter in the model reflects the initial phase of micelle formation and the subsequent accommodation of PpIX into the micellar core, which precedes the diffusion-driven dissolution process [23]. Among the systems evaluated, water + P407 and EtOH77 + P407 exhibited the highest correlation

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

• (WHO) for larvicidal bioassays, which applies the cumulative normal distribution model. In contrast, the bioassay conducted with the nanocomposite produced by the conventional ionic gelation method (CS/TPP–rot, Figure 5A) showed an LC50 of 157.02 ppm and an LC90 of 246.52 ppm, a value notably higher

• Probit regression performed in RStudio with the glm() function (binomial family, probit link). The lethal concentrations (LC50 and LC90) were calculated based on the estimated model parameters [40]. Cellular viability assessment by MTT assay The cellular viability of human skin fibroblasts (HSF) exposed

• formazan crystals were solubilized with acidified isopropanol, and the absorbance was measured at 570 nm using a microplate reader (Thermo Labsystems Multiskan, model 352). A positive control (2% Triton X-100) and a negative control (culture medium without treatment) were used. Cellular viability was

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