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

• . These metrics collectively provide a comprehensive assessment of model accuracy and reliability. The mean absolute error (MAE, Equation 1) and the root mean squared error (RMSE, Equation 2) were used to evaluate the accuracy of the models applied on both train and test sets. MAE measures the average

• actual and predicted endpoint values of the i-th sample, respectively, and and are the average endpoint values of the experimental and predicted values, respectively. Applicability domain To ensure the robustness and reliability of predictive models, particularly adhering to the OECD guidelines

• of their extrapolation-based nature, which inherently carries more uncertainty than interpolation [22]. In the present study, the leverage method [61] was employed to assess the prediction reliability. This was done to empower users to apply the models with greater confidence to external datasets and

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

• detected in the original samples. However, in the spiked samples, the sensor yielded favourable results with recoveries ranging from 90.2% to 121.3%, indicating the reliability of the sensor and its effectiveness in real-world applications. Conclusion CuBTC and FeBTC metal-organic frameworks (MOFs) were

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

• gain deeper insights and make informed decisions. Through the integration of simulation data with experimental measurements, researchers can validate and refine computational models, improving their accuracy and reliability. Advanced data analysis techniques, such as statistical analysis, machine

• strategies heavily rely on data from various sources, including experimental measurements, simulations, and literature databases. However, ensuring the accessibility, reliability, and interoperability of data remains a significant hurdle. Standardization efforts and data sharing platforms are essential to

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

• power, the ultrafast response time remains consistent, highlighting the reliability of the high-speed heterojunction photodetector across different conditions, confirming its potential application in the field of optoelectronics. Our findings enhance the comprehension of the impact of polarization on

• that the heterojunction exhibits an even shorter response time (Figure 3a,b). It is the OOP polarization within the bilayer WSe2 that accelerates the intrinsic response time of the heterojunction. To verify the reliability of the experimental results, we subsequently conducted TRPC measurements at

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

• surfaces can prevent the wear of moving parts in devices such as hard drives and printers, ensuring longer operational life and reliability. The mechanisms behind the cuticle’s friction-reducing properties also include the ability to repel dust and contaminants, which further extends the applications of

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

• nanoparticles are not hemolytic. Remarkably, the functionalized SiO2NPs are more internalized by tumor cells than their healthy counterparts. Investigations of this nature play a crucial role in garnering results with greater reliability, allowing the development of nanoparticle-based pharmaceutical drugs that

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

• inhibition of the zebrafish hatching enzyme ZHE1 with the nano-qRASTR approach to improve the model quality, predictability, and reliability significantly. Materials and Methods Dataset The percentage decrease in enzymatic activity expressed in the form of enzyme inhibition to zebrafish in % (%EIzebrafish

• -randomization procedure, the study calculated the mean values of R2 and Q2 for the 100 randomly generated models. External dataset for data gap filling and prediction reliability Our prepared external dataset consists of 35 MONPs that were used to predict toxicity for zebrafish. External prediction quality is

• also checked through the “Prediction Reliability Tool” that employs the AD to our external prediction that is evaluated by three criteria: (1) The mean absolute error is calculated for leave-one-out predictions using the ten most similar training compounds for each query molecule. (2) The

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

• comparison results. To improve the validity of the toxicity profile of the NPs, it is important to ensure the accuracy, reliability, and reproducibility of the experimental data. In the end, we expect that the obtained toxicity data could be comprehensively compared with other toxicity reports. Schematic

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

• ], increased responsivity, unwavering reliability, ultrafast response time, and a substantial reduction in device size. The introduction of large, two-dimensional (2D) detector arrays has further increased the complexity of the detector optimization. In response to these multifaceted challenges and the quest

• stability, retaining reliability at temperatures reaching up to 200 °C. This exceptional thermal resilience makes it ideally suited for demanding high-temperature applications, showing its potential across various industries. Transmission electron microscopy (TEM) and Raman characterizations of the VACNTs

Recent progress on field-effect transistor-based biosensors: device perspective

• Billel Smaani,
• Fares Nafa,
• Mohamed Salah Benlatrech,
• Ismahan Mahdi,
• Hamza Akroum,
• Mohamed walid Azizi,
• Khaled Harrar and
• Sayan Kanungo

Beilstein J. Nanotechnol. 2024, 15, 977–994, doi:10.3762/bjnano.15.80

• (≈108) and increased sensing speed through the extended cavity in the oxide–source region of the proposed biosensor structure. Furthermore, the fabrication of a silicon NW TFET-based biosensor has been reported by Gao et al. [84], targeting high sensitivity, versatility, and reliability for point-of

• scalability, which improves reliability as a hot electron impact is significantly reduced at lower operating bias voltages. Hence, it offers higher power efficiency and reliability. 2.2.21 Overlap gate-on-drain TFET-based biosensors. An overlap gate-on-drain (OGOD) TFET-based biosensor has been reported by

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

• ] and magnets are much better in terms of reliability and adhesion force than current biomimetic materials but need mating surfaces that are compatible. Traditional fasteners like screws, bolts, and nuts are available for assemblies that do not need to be disconnected frequently but are extremely strong

Investigation on drag reduction on rotating blade surfaces with microtextures

• Qinsong Zhu,
• Chen Zhang,
• Fuhang Yu and
• Yan Xu

Beilstein J. Nanotechnol. 2024, 15, 833–853, doi:10.3762/bjnano.15.70

• = 0.5 is 131.5 m/s, with an error of only 0.6% from the theoretical value of 130.67 m/s. This result serves as evidence supporting the reliability of the simplified simulation method; hence, the velocity in the local area simulation was set at 130.67 m/s. In Figure 10, two-dimensional flow streamlines

Simultaneous electrochemical determination of uric acid and hypoxanthine at a TiO₂/graphene quantum dot-modified electrode

• Vu Ngoc Hoang,
• Dang Thi Ngoc Hoa,
• Nguyen Quang Man,
• Le Vu Truong Son,
• Le Van Thanh Son,
• Vo Thang Nguyen,
• Le Thi Hong Phong,
• Ly Hoang Diem,
• Kieu Chan Ly,
• Ho Sy Thang and
• Dinh Quang Khieu

Beilstein J. Nanotechnol. 2024, 15, 719–732, doi:10.3762/bjnano.15.60

• , cost-effectiveness, and reliability. The use of modified electrodes has shown to improve significantly electrocatalytic activity and electrical conductivity of electrodes. Graphene, with sp2-hybridized carbon atoms in a single layer, has gained much attention because of its unique physicochemical

• , the other possible interferents exhibit no interference effect (with less than ±5% relative error) at 100-fold excess. This indicates that the designed modified electrode is a highly selective sensor for URI and HYP. A human urine sample was used as real sample to investigate the reliability of the

• the applicability and reliability of the proposed method (Table 2). Conclusion TiO2/GQDs were prepared from peroxo titanium complexes, and GQDs were derived from ground coffee as precursor, which offers several advantages such as easy dispersion and functionalization during the synthesis. A simple

Enhancing higher-order modal response in multifrequency atomic force microscopy with a coupled cantilever system

• Wendong Sun,
• Jianqiang Qian,
• Yingzi Li,
• Yanan Chen,
• Zhipeng Dou,
• Rui Lin,
• Peng Cheng,
• Xiaodong Gao,
• Quan Yuan and
• Yifan Hu

Beilstein J. Nanotechnol. 2024, 15, 694–703, doi:10.3762/bjnano.15.57

• scaled up from a multifrequency AFM microscale cantilever. The reliability of the coupled system theory is demonstrated by exploring the macroscale modal response, which provides pre-validation for subsequent microscale applications. Therefore, we established a macroscale experimental platform to emulate

Aero-ZnS prepared by physical vapor transport on three-dimensional networks of sacrificial ZnO microtetrapods

• Veaceslav Ursaki,
• Tudor Braniste,
• Victor Zalamai,
• Emil Rusu,
• Vladimir Ciobanu,
• Vadim Morari,
• Daniel Podgornii,
• Pier Carlo Ricci,
• Rainer Adelung and
• Ion Tiginyanu

Beilstein J. Nanotechnol. 2024, 15, 490–499, doi:10.3762/bjnano.15.44

• and electronic transitions in the prepared materials can be deduced with a high degree of reliability from the performed analysis, the determination of the microscopic origin of the recombination centers responsible for the observed emission bands is problematic with the available data. Nevertheless

Exploring the relationships between physiochemical properties of nanoparticles and cell damage to combat cancer growth using simple periodic table-based descriptors

• Joyita Roy and
• Kunal Roy

Beilstein J. Nanotechnol. 2024, 15, 297–309, doi:10.3762/bjnano.15.27

• Golbraikh and Tropsha [34], R2 should be greater than 0.6 and should be greater than 0.5 to meet the standard requirements of external validation. A true external set was also used to evaluate the predicting power of the model. This was done using the prediction reliability indicator (PRI) tool available

• from the DTC lab software tools (http://teqip.jdvu.ac.in/QSAR_Tools/). To further validate model 2 for the similarity-based prediction, we have performed chemical read-across analysis. Prediction reliability indicator (PRI) tool Ensuring the reliability of predictions for a new set of data is a vital

• task. By making robust predictions based on molecular features, we can estimate the external set accurately. In this study, we used the Prediction Reliability Indicator tool [35] (http://teqip.jdvu.ac.in/QSAR_Tools/) to predict the response of a true external set comprising 49 MeOx NPs. The tool

Determining by Raman spectroscopy the average thickness and N-layer-specific surface coverages of MoS₂ thin films with domains much smaller than the laser spot size

• Felipe Wasem Klein,
• Jean-Roch Huntzinger,
• Vincent Astié,
• Damien Voiry,
• Romain Parret,
• Houssine Makhlouf,
• Sandrine Juillaguet,
• Jean-Manuel Decams,
• Sylvie Contreras,
• Périne Landois,
• Ahmed-Azmi Zahab,
• Jean-Louis Sauvajol and
• Matthieu Paillet

Beilstein J. Nanotechnol. 2024, 15, 279–296, doi:10.3762/bjnano.15.26

• ) ratio for N and N + 1 is sufficient to ensure a rather good reliability only for N ≤ 5. In summary, for exfoliated MoS2, considering jointly the three Raman criteria (i) value of ΔωA−E, (ii) value of the normalized integrated intensities of the A1g and E12g modes, and (iii) value of the A2D(Si)/A0(Si

• would be close in twisted and 2Hc-stacked MoS2 multilayers. However, as previously recalled, the sensitivity of this ratio to the SiO2 thickness and the gap between the A2D(Si)/A0(Si) ratios for N and N + 1 permit to ensure the determination of N with a rather good reliability only for N ≤ 5. DLI-PP-CVD

Ultrasensitive and ultrastretchable metal crack strain sensor based on helical polydimethylsiloxane

• Shangbi Chen,
• Dewen Liu,
• Weiwei Chen,
• Huajiang Chen,
• Jiawei Li and
• Jinfang Wang

Beilstein J. Nanotechnol. 2024, 15, 270–278, doi:10.3762/bjnano.15.25

• loading and unloading attributed to the viscoelastic properties of PDMS. Moreover, the sensor exhibited exceptionally rapid response behavior, further affirming its reliability. The hysteresis of the helical sensor was assessed at a strain of 280% and a stretching speed of 10% per minute in a complete

Quantitative wear evaluation of tips based on sharp structures

• Ke Xu and
• Houwen Leng

Beilstein J. Nanotechnol. 2024, 15, 230–241, doi:10.3762/bjnano.15.22

• morphology to verify the reliability of the tip morphology determination based on TipCheck samples. The findings in Figure 9 show that as the number of scans increases during SEM observation, the tip diameter fluctuates, and the ETD rises. This observation suggests that a high-intensity electron beam scan

Development and characterization of potential larvicidal nanoemulsions against Aedes aegypti

• Jonatas L. Duarte,
• Leonardo Delello Di Filippo,
• Anna Eliza Maciel de Faria Mota Oliveira,
• Rafael Miguel Sábio,
• Gabriel Davi Marena,
• Tais Maria Bauab,
• Cristiane Duque,
• Vincent Corbel and
• Marlus Chorilli

Beilstein J. Nanotechnol. 2024, 15, 104–114, doi:10.3762/bjnano.15.10

• the release of cymene and myrcene from the nanoemulsions was performed at specific time intervals: 30 min and 1, 2, 4, 6, 8, 12, and 24 h. Each measurement was repeated six times to ensure reliability. The released compounds were quantified by high-performance liquid chromatography, following a

unDrift: A versatile software for fast offline SPM image drift correction

• Tobias Dickbreder,
• Franziska Sabath,
• Lukas Höltkemeier,
• Ralf Bechstein and
• Angelika Kühnle

Beilstein J. Nanotechnol. 2023, 14, 1225–1237, doi:10.3762/bjnano.14.101

• determine the drift velocity from the apparent movement of stationary features either by automatic evaluation of the cross-correlation image or based on positions identified manually by the user. We demonstrate the performance and reliability of unDrift using three challenging examples, namely images

• stationary features, however, we find that algorithm II works with remarkable reliability. In contrast to algorithm II, algorithm III does not evaluate the mean shift between images but the apparent shift of single stationary features as described by Rahe and co-workers [5]. It is necessary to subsequently

A multi-resistance wide-range calibration sample for conductive probe atomic force microscopy measurements

• François Piquemal,
• Khaled Kaja,
• Pascal Chrétien,
• José Morán-Meza,
• Frédéric Houzé,
• Christian Ulysse and
• Abdelmounaim Harouri

Beilstein J. Nanotechnol. 2023, 14, 1141–1148, doi:10.3762/bjnano.14.94

• commonly observed in C-AFM because of highly localized electric fields at the tip apex leading to structural damage considerably affecting the measurement reliability. These effects are further amplified during scanning in contact mode due to shear forces and strong mechanical stress imposed on the tip

A bifunctional superconducting cell as flux qubit and neuron

• Dmitrii S. Pashin,
• Pavel V. Pikunov,
• Marina V. Bastrakova,
• Andrey E. Schegolev,
• Nikolay V. Klenov and
• Igor I. Soloviev

Beilstein J. Nanotechnol. 2023, 14, 1116–1126, doi:10.3762/bjnano.14.92

• anticrossing (in the case of leakage to P2, the blue curve in Figure 5c, this is the convergence of the first and second levels) and the acquired progression of Stuckelberg phases. Similar behaviour was also found for different initial states of the qubit, Figure 5d. We have evaluated the reliability of such

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

• Joyita Roy,
• Souvik Pore and
• Kunal Roy

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

• represents the domain that can be effectively predicted by the model that is based on the training set data. The samples within the domain of applicability can only explain the reliability of the predicted values. A William’s plot was used to determine the AD of the present work. The leverages were

The microstrain-accompanied structural phase transition from h-MoO₃ to α-MoO₃ investigated by in situ X-ray diffraction

• Zeqian Zhang,
• Honglong Shi,
• Boxiang Zhuang,
• Minting Luo and
• Zhenfei Hu

Beilstein J. Nanotechnol. 2023, 14, 692–700, doi:10.3762/bjnano.14.55

• contain any water molecules. The reliability factors of the former are 3.07%, 4.53%, 1.64%, and 5.43% for Rp, Rwp, Rexp, and RB, respectively, slightly better than those of the latter (3.70%, 6.08%, 1.64%, and 7.95%, respectively), suggesting the presence of water molecules in the MoO6 octahedra tunnel of

• ·H2O to grow into the shape of hexagonal prisms seen in Figure 1b. The crystal structure of the orthorhombic phase α-MoO3 Figure 3a represents the Rietveld refinement of the orthorhombic phase α-MoO3 from the sample calcinated at 450 °C. The reliability factors Rp, Rwp, Rexp, and RB are 3.22%, 4.54