Heterogeneous reactions in a HFCVD reactor: simulation using a 2D model

• Xochitl Aleyda Morán Martínez,
• José Alberto Luna López,
• Zaira Jocelyn Hernández Simón,
• Gabriel Omar Mendoza Conde,
• José Álvaro David Hernández de Luz and
• Godofredo García Salgado

Beilstein J. Nanotechnol. 2024, 15, 1627–1638, doi:10.3762/bjnano.15.128

• interaction with the walls. In a study of the deposition of silicon dioxide using an atmospheric-pressure plasma-enhanced CVD reactor, the reactor performance was shown to be strongly affected by the flow dynamics [33][34]. Distribution and concentration of species As previously mentioned, temperature and

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

• interdisciplinary approach is to integrate advances in biotechnology, nanomaterials, biomedical robotics, and genetic engineering into the broader field of nanomedicine. On a larger scale, the application of nanotechnology in medicine enhances efficiency, accelerates processes, and improves functional performance

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

• heavy metal ion monitoring in environmental samples involve complex analytical instrumental techniques such as atomic absorption spectroscopy, inductively coupled plasma mass spectrometry, and high-performance liquid chromatography [8][9]. Environmental remediation of P-NP requires processes such as

• grafting magnetic nanoparticles with ʟ-carnosine significantly enhanced the catalytic performance of the nanoparticles [15]. In another study, metal-organic framework nanoparticles fabricated with ʟ-carnosine were employed for arsenic removal via an adsorption mechanism. The maximum removal of arsenic was

• linear plot of the absorption as a function of the concentration of the detected metal ions. ʟ-carnosine-capped silver nanoparticles as the catalytic agent ʟ-car-AgNPs were evaluated regarding their catalytic performance in the degradation of P-NP as a model substrate. P-NP is reduced and forms p

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

• “modelling equivalent” of a RR. We demonstrate here a novel approach to evaluate the performance of different models for the same endpoint (nanomaterials’ zeta potential) trained using a common dataset, through generation of a consensus model, leading to increased confidence in the model predictions and

• individual performance. This combination aims to leverage the strengths of each model, reducing individual biases and enhancing overall prediction accuracy. Validation In line with the OECD QSAR model validation principles [22][55], all models presented in this work were validated externally using the exact

• validation set to assess the model’s generalization on new (previously unseen) data, which is crucial for its practical application in regulatory settings. According to the OECD’s fourth principle [22], statistical model validation is indispensable for assessing a model’s performance. To quantify the model’s

Electrochemical nanostructured CuBTC/FeBTC MOF composite sensor for enrofloxacin detection

• Thi Kim Ngan Nguyen,
• Tien Dat Doan,
• Huy Hieu Luu,
• Hoang Anh Nguyen,
• Thi Thu Ha Vu,
• Quang Hai Tran,
• Ha Tran Nguyen,
• Thanh Binh Dang,
• Thi Hai Yen Pham and
• Mai Ha Hoang

Beilstein J. Nanotechnol. 2024, 15, 1522–1535, doi:10.3762/bjnano.15.120

• coefficients of determination of 0.9990, 0.9954, and 0.9992, respectively, depending on the accumulation duration. The sensor achieved a low detection limit of 3 nM and demonstrated good reproducibility, with a relative standard deviation of 3.83%. Furthermore, the sensor demonstrated effective performance in

• techniques. The synergistic effects of CuBTC and FeBTC are considered promising for enhancing the performance of enrofloxacin sensors in aqueous solutions. Results and Discussion Characterization of (Cu)(Fe)BTC In the XRD pattern in Figure 1a, the FeBTC sample shows peaks at 2θ values of 6.26°, 10.34°, 10.85

• electrode composition. For the determination of ENR, square wave adsorptive stripping voltammetry (SW-AdSV) was employed because of its superior performance in comparison to the cyclic voltammetric method. Figure 6b illustrates the square wave voltammograms (SWVs) depicting the electrochemical response of

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

• , Turin, Corso Duca degli Abruzzi 24, Italy 10.3762/bjnano.15.119 Abstract This perspective article explores the convergence of advanced digital technologies, including high-performance computing (HPC), artificial intelligence, machine learning, and sophisticated data management workflows. The primary

• digital methodologies in advanced research. Keywords: artificial intelligence; high-performance computing; HPC; machine learning; materials modelling; multiscale modelling; nanomaterials; semantic data management; Introduction Digital technologies have ushered in a new era of materials science, enabling

• performance of materials before they are synthesized [1][2][3]. This approach enables the discovery of materials with, for example, improved mechanical strength, enhanced thermal conductivity, superior electrical properties, or other tailored characteristics. Simulations provide crucial insights at different

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

• compatibility with established technologies (the semiconductor industry can adopt it to enhance the performance of devices) [28]. Strain can be introduced in graphene using different methods, namely, by exploiting a mismatch in thermal expansion between graphene and the underlying substrate, by transferring

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

• performance of Pt(CO)2Cl2 and Pt(CO)2Br2 as Pt precursors and comparing the differences in H2+-, He+-, and Ar+-induced Pt deposition. To determine precursor and ion identity effects on the deposition mechanism, we employ a surface analysis approach under UHV conditions to determine the ion-induced

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

• manipulate the transmission of light modes, similar to how nanostructures have been utilized to regulate electron-related phenomena. Here we study the optical performance of a one-dimensional stacked photonic crystal based on LN and TiO2/SiO2. We studied the quarter wavelength multi-layered stack using

• applications. Moreover, its platform with established fabrication techniques guarantees consistent device performance. Finally, the potential for integration with other photonic components on a single chip, coupled with its CMOS compatibility, paves the way for highly sophisticated photonic integrated circuits

• "super-emission" scales with the system size, meaning larger systems shine brighter. The reverse phenomenon (i.e., superabsorption [35][36]) enhances light absorption for larger systems and holds promise for creating high-performance quantum batteries. However, directly observing superabsorption is

Various CVD-grown ZnO nanostructures for nanodevices and interdisciplinary applications

• The-Long Phan,
• Le Viet Cuong,
• Vu Dinh Lam and
• Ngoc Toan Dang

Beilstein J. Nanotechnol. 2024, 15, 1390–1399, doi:10.3762/bjnano.15.112

• electronic/optoelectronic devices, energy storage/generation systems, and renewable energy conversion devices with high performance and low-power consumption [1][2][3]. In comparison to semiconductors, ZnO has attracted much more attention. This is due to ZnO having outstanding semiconductor behaviours in

Out-of-plane polarization induces a picosecond photoresponse in rhombohedral stacked bilayer WSe₂

• Guixian Liu,
• Yufan Wang,
• Zhoujuan Xu,
• Zhouxiaosong Zeng,
• Lanyu Huang,
• Cuihuan Ge and
• Xiao Wang

Beilstein J. Nanotechnol. 2024, 15, 1362–1368, doi:10.3762/bjnano.15.109

• lead to a high-efficiency photoelectric conversion that has the potential to surpasses the Shockley–Queisser limit [24][31][32][33][34]. In this regard, constructing 2D vdW semiconductors with OOP polarization and moderate bandgap holds great promise for high-performance self-powered BPVE devices. More

• deposited onto the heterojunctions through metal thermal evaporation. Material and performance characterization The optical images of heterojunctions were obtained using a microscope (ZEISS, Axio Scope A1). The SHG and PL measurements were performed by using a scanning confocal microscope (WITec, alpha 300R

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

• and durability. For instance, low-friction coatings inspired by Hymenoptera cuticles can be applied to materials to reduce wear and tear, thereby enhancing performance, and extending the lifespan of the material. Surface roughness can have beneficial effects on the overall aerodynamic characteristics

• modulus [61]. Understanding the mechanical properties and composition of leafcutter ant mandibles could offer valuable insights into biomimetic design principles, potentially inspiring the development of innovative tools and instruments with enhanced performance and adaptability for various applications

• [62][63]. Recently, the mandibles of leafcutter ants have inspired the design of a biomimetic stubble-cutting device, showcasing excellent performance and potential applications in agriculture [64]. Ant mandibles offer valuable inspiration for the enhancement of medical tools and devices. For instance

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

• , metal composition, centrifugation, and NaOH amount, were investigated for their impact on the performance of CTAB-capped nanoparticles in heavy metal detection and 4-NP degradation. CTAB-Au nanospheres demonstrated limited heavy metal ion detection capability but exhibited remarkable efficiency in

• performance were available using CTAB-capped gold or silver nanoparticles. Unfortunately, only very few studies described CTAB-capped nanoparticles as detection and catalytic systems without surface modifications, linkers, or buffers because of the strong binding of CTAB on the nanoparticle surface. Designing

• . Quantification of CTAB through UHPLC The quantification of bound CTAB on the nanoparticles’ surface was analyzed using ultrahigh-performance liquid chromatography (UHPLC; Shimadzu, Nexera, Tokyo, Japan). The chromatography system equipped with an SPD-M20A photodiode array (PDA) detector with a wavelength range

Mn-doped ZnO nanopowders prepared by sol–gel and microwave-assisted sol–gel methods and their photocatalytic properties

• Cristina Maria Vlăduț,
• Crina Anastasescu,
• Silviu Preda,
• Oana Catalina Mocioiu,
• Simona Petrescu,
• Jeanina Pandele-Cusu,
• Dana Culita,
• Veronica Bratan,
• Ioan Balint and
• Maria Zaharescu

Beilstein J. Nanotechnol. 2024, 15, 1283–1296, doi:10.3762/bjnano.15.104

• -structural characterizations of the resulting materials and investigates their photocatalytic performance for the mineralization of oxalic acid in aqueous solutions under simulated solar irradiation. Results and Discussion As-prepared samples The synthesis process involved the preparation of precursor

Enhanced catalytic reduction through in situ synthesized gold nanoparticles embedded in glucosamine/alginate nanocomposites

• Chi-Hien Dang,
• Le-Kim-Thuy Nguyen,
• Minh-Trong Tran,
• Van-Dung Le,
• Nguyen Minh Ty,
• T. Ngoc Han Pham,
• Hieu Vu-Quang,
• Tran Thi Kim Chi,
• Tran Thi Huong Giang,
• Nguyen Thi Thanh Tu and
• Thanh-Danh Nguyen

Beilstein J. Nanotechnol. 2024, 15, 1227–1237, doi:10.3762/bjnano.15.99

• of dyes, such as 4-nitrophenol (4-NiP) to harmless 4-aminophenol, a precursor for the synthesis of drugs like paracetamol and phenacetin, shows promise for producing dyes, cosmetics, and pharmaceuticals [27]. Plasmonic MNPs enhance catalytic performance by absorbing both dye molecules and BH4− ions

• nanoparticles is anticipated to impart excellent catalytic performance in the reduction of organic dyes. Thermal properties of blank and AuNPs@GluN/Alg nanocomposites were assessed through TGA measurements in an airflow of 20 mL/min and a heating rate of 10 °C/min (Figure 3D). Similar kinds of thermal behavior

• cycle, with 70% and 80% retention, respectively. These findings underscore the effectiveness of AuNPs@GluN/Alg in facilitating the recyclable reduction of 2-NiP. A comparison of MNPs–alginate-based catalysts shows that the AuNPs@GluN/Alg nanocatalyst significantly enhanced catalytic performance in the

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

• demonstrate favorable tumor penetration and intratumoral diffusion. Active targeting strategies, incorporating ligands for specific tumor receptor binding, serve to further enhance usNP tumor selectivity and therapeutic performance. Numerous preclinical studies have already demonstrated the potential of

• [10][11][12]. Reasons for the poor clinical performance of passive tumor targeting are the considerable heterogeneity of the EPR effect in humans, alongside the restricted diffusion of NPs across the dense tumor stroma [4][5][13][14]. Reasons for the limited performance of active targeting include its

• incorporation of active targeting strategies is expected to further enhance the selectivity and performance of usNPs for cancer treatment. By designing usNPs to target surface receptors on cancer cells, tumor retention can be improved by minimizing particle intravasation back to tumor blood vessels. Active

Synthesis, characterization and anticancer effect of doxorubicin-loaded dual stimuli-responsive smart nanopolymers

• Ömür Acet,
• Pavel Kirsanov,
• Burcu Önal Acet,
• Inessa Halets-Bui,
• Dzmitry Shcharbin,
• Şeyda Ceylan Cömert and
• Mehmet Odabaşı

Beilstein J. Nanotechnol. 2024, 15, 1189–1196, doi:10.3762/bjnano.15.96

• was highest at 41 °C and pH 7.4 (Figure 4B). The temperature and pH sensitivity eliminates the need for other external stimuli. The time-dependent DOX release experiments conducted here under different conditions demonstrated that the dual response of the SNPs may improve the DD performance compared

• effective release of active ingredients. The design of the release conditions of the drug, as well as the encapsulation, are critical because of the low solubility of cancer drugs. Smart nanopolymeric platforms exhibit good in vitro or in vivo DR performance at various drug loading levels. The results here

• show that the response of polymeric nanoplatforms to dual/multiple stimuli can further improve DD performance compared to nanoplatform systems that are responsive to only one stimulus. Temperature- and pH-sensitive nanopolymers were synthesized and characterized by FTIR, SEM, and zeta potential

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

• function mode to accelerate the discovery of the hyperparameters [53]. All the above was used through the AutoAI tool within IBM Watson, an automatized routine to select the model with the best performance among those available in the platform. Since this method does not produce exportable mathematical

• metrics and to determine the most accurate models between methodologies. The metrics proposed to evaluate the performance of the predictive models were mean squared error (MSE), mean absolute percentage error (MAPE), mean absolute error (MAE), and root mean squared error (RMSE). These metrics were

• performance offered by the Extra Trees algorithm of Watson AI, a comparison with a family of MLR models was made. Supporting Information File 1 contains the cross-validation for all reported MLR models. Table S2 (Supporting Information File 1) shows the docking scores obtained for the validation set by using

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

• astonishing device performance. We use ab initio modeling for the material prediction, while classical drift–diffusion drives the device simulations. Hybrid functionals calculate electronic and optical properties to maintain high accuracy. The structural stability has been verified using phonon spectra. The E

• -term instability, poor device scalability, and the use of toxic compounds, have yet to be resolved [6]. Recent advancements have seen the integration of two-dimensional (2D) materials with PSCs, opening new avenues for enhancing their performance and addressing current challenges with the PSCs [7][8

• ]. Integrating 2D materials in PSCs can improve their performance. The 2D materials can provide protective layers that work like a shield to the perovskite materials to protect them from environmental degradation caused by moisture and oxygen and provide better device scalability to the PSCs, which makes large

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

• ; Introduction Nanomaterials, which are defined as materials that fall in the range of 1–100 nanometers two-dimensionally, are commonly used in the fields of biomedicine, catalysis, and electricity because of their stable and unique performance, small size, and large surface area [1]. Nanomaterials encompass a

Photocatalytic methane oxidation over a TiO₂/SiNWs p–n junction catalyst at room temperature

• Qui Thanh Hoai Ta,
• Luan Minh Nguyen,
• Ngoc Hoi Nguyen,
• Phan Khanh Thinh Nguyen and
• Dai Hai Nguyen

Beilstein J. Nanotechnol. 2024, 15, 1132–1141, doi:10.3762/bjnano.15.92

• of TiO2 on p-type SiNWs. The TiO2/SiNWs heterostructure exhibited an outstanding OCM performance under simulated solar light irradiation compared to the single components. This enhanced efficiency was attributed to the intrinsic electrical field formed between n-type TiO2 and p-type SiNWs, which

• photocatalytic efficiency. For years, doping of metal nanoparticles (NPs) into a semiconductor matrix has been extensively studied to enhance photocatalytic CH4 oxidation performance. Metal NPs in, for example, Au/TiO2, Au@Pd/ZnO, and Pt@Cu/TiO2 composites act as electron scavenger centers and own more free

• recorded in a batch reactor under different wavelengths of light. As shown in Figure 6b, no products were detected under the visible-light irradiation. The photocatalytic performance under UV illumination was significantly lower than that under full illumination. Figure 7 shows the recyclability of the p–n

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

• performance in glucose detection. For instance, the surface of alginate-based nanoparticles can be modified with specific receptors or ligands that selectively bind to glucose molecules, improving the sensitivity and selectivity of the biosensor. Moreover, alginate-based nanoparticles have the potential for

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

• ], Au NPs on electrospun polymer nanofibers [33], and alloy Ag/Au NPs on filter paper [44]. However, the size-dependent SERS performance of NPs over time needed to be investigated, and the optimization of substrates, depending on their stability over time, was aimed to be studied. This study

• wavelengths and media. Subsequently, a flexible SERS substrate was developed by depositing 18 types of NPs produced onto a filter paper. It was found that substrates containing NPs generated at 1064 nm laser wavelength exhibited prominent performance, characterized by higher yield and larger particle size

• the laser beam was ensured using mirrors explicitly chosen for their optimal performance within the respective wavelength ranges. The laser beam was guided towards the processing region by mirrors and eventually focused on the sample surface by a lens of focal length (f) ≈10 cm at normal incidence

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

• production of nanocarbon-reinforced materials is paving the way for a new era of tissue engineering thanks to their application as high-performance biocompatible scaffolds [14][15] and implantable devices [16][17]. The key features of these materials should be compatible with the complexity of biological

• in Figure 1. Review Nanostructured carbon-containing materials at biological interfaces Interfaces between artificial and biological environments play a critical role for the design and long-term performance of any artificial implant [25][26]. The interface between an implant and the biological

• formation, suggesting that, in the specific case, NDs act only as protective layer rather than influencing the immunological response. GO-modified surfaces exhibited better performance in tuning the immunological response, as reported by El-Kamel et al. [93], who coated AZ91E Mg alloy staples used for

Bolometric IR photoresponse based on a 3D micro-nano integrated CNT architecture

• Yasameen Al-Mafrachi,
• Sandeep Yadav,
• Sascha Preu,
• Jörg J. Schneider and
• Oktay Yilmazoglu

Beilstein J. Nanotechnol. 2024, 15, 1030–1040, doi:10.3762/bjnano.15.84

• resistance (TCR). These properties are advantageous for new bolometric sensors with high voltage responsivity and broadband absorption from the infrared (IR) to the terahertz spectrum. Preliminary performance evaluations have shown current and voltage responsivities of 2 mA/W and 30 V/W, respectively, in

• ][8][9][10]. This performance is based on the high absorption of VACNTs coupled with their low reflectance over this broad spectrum. Vertical alignment and distribution of the CNTs are critical to achieving such efficient absorption, making VACNTs effective blackbody analogs for broad-spectrum

• measurements. The true performance of the original M-shaped CNT block with higher TCR, higher voltage, and higher current responsivity could be demonstrated. In this work, new noise measurements were performed and compared for both configurations. The new configuration 2 is superior regarding the optimization