Modeling a multiple-chain emeraldine gas sensor for NH₃ and NO₂ detection

• Hana Sustkova and
• Jan Voves

Beilstein J. Nanotechnol. 2022, 13, 721–729, doi:10.3762/bjnano.13.64

• several chains were modeled, between two chains (Figure 3 and Figure 4). Also, the orientation of the gas molecule was varied. Apart from these variations, one position and one orientation of the gas molecule was determined utilizing energy minimizing optimization. For all these situations, computation of

• up to four molecules were placed near the chain according to the optimization, either next to the doped nitrogen atom (D) or next to the undoped one (U). For ammonia, the nitrogen of NH3 was 2.09 Å away from the doped/undoped nitrogen of the PANI chain, while the bond length between N and H was

• as well. The I–V characteristics were computed for several molecule positions near the doped and near the undoped nitrogen atoms, see above. The molecule orientation was estimated through molecular dynamics optimization. The resistance from the linear part of the I–V characteristics was used to

Nanoarchitectonics of the cathode to improve the reversibility of Li–O₂ batteries

• Hien Thi Thu Pham,
• Jonghyeok Yun,
• So Yeun Kim,
• Sang A Han,
• Jung Ho Kim,
• Jong-Won Lee and
• Min-Sik Park

Beilstein J. Nanotechnol. 2022, 13, 689–698, doi:10.3762/bjnano.13.61

• optimization of ZnxCoy particles, we demonstrated an extremely high discharge capacity of ≈16,000 mAh·g−1 for the Zn4Co1–C/CNT composite cathode and stable cycling performance up to 137 cycles at a current density of 200 mA·g−1. We believe that our findings could offer useful design principles for advanced

Fabrication and testing of polymer microneedles for transdermal drug delivery

• Vahid Ebrahiminejad,
• Zahra Faraji Rad,
• Philip D. Prewett and
• Graham J. Davies

Beilstein J. Nanotechnol. 2022, 13, 629–640, doi:10.3762/bjnano.13.55

• characteristics such as operating temperature, axial force range, and embossing time depend on material properties, geometrical size, and complexity, requiring multiple optimization studies. MN arrays must be capable of being handled without risk of damage and must penetrate the skin with low force to the

• power of 100 mW were selected after process optimization to reduce MN fabrication time and delamination from the substrate. GWL files are then imported to NanoWrite software (Nanoscribe GmbH, Karlsruhe, Germany), which is synced with NanoScribe to initiate the polymerization. The IP-S negative-tone

Stimuli-responsive polypeptide nanogels for trypsin inhibition

• Petr Šálek,
• Jana Dvořáková,
• Sviatoslav Hladysh,
• Diana Oleshchuk,
• Ewa Pavlova,
• Jan Kučka and
• Vladimír Proks

Beilstein J. Nanotechnol. 2022, 13, 538–548, doi:10.3762/bjnano.13.45

• substituents compared to PHEG-Tyr nanogel [25]. This assumption is also supported by the DH dependence (Figure 3a) showing a DH maximum at pH 7.4. Adsorption and release of BSA and AAT Next, optimization studies of in vitro loading of 125I-radiolabeled BSA as a model protein and its release from PHEG-Tyr and

• itself and AAT loaded onto PHEG-Tyr nanogel. This pilot in vitro study was crucial for the development of functional, fully biocompatible, and biodegradable nanogel carriers. The study will serve for subsequent optimization of the inhibition effect of PHEG-Tyr nanogel loaded with AAT at varying trypsin

• trypsin and, possibly, for the treatment of pancreatitis. Further studies will serve for future optimization of the new nanogel systems. The optimum ratio between trypsin and AAT-loaded nanogels and the inhibition activity of the delivery system in the pH range from 7 and 7.2, which is also relevant for

Ethosomal (−)-epigallocatechin-3-gallate as a novel approach to enhance antioxidant, anti-collagenase and anti-elastase effects

• Çiğdem Yücel,
• Gökçe Şeker Karatoprak,
• Sena Yalçıntaş and
• Tuğba Eren Böncü

Beilstein J. Nanotechnol. 2022, 13, 491–502, doi:10.3762/bjnano.13.41

• characterized in vitro. Optimization of ETHs composed of 2–4% (w/v) of soya phosphatidylcholine (SPC) and 15–45% (v/v) of ethanol was performed based on characterization parameters (Table 1). The F3 formulation was chosen as the optimum one. A sample of F3 was examined by scanning electron microscopy (SEM

• systems, and the effects of changes in the composition of the formulations on their characterization were examined. It was emphasized that appropriate optimization of vesicular systems is necessary to yield their therapeutic efficacy in topical applications [32]. In another study, an ethosomal formulation

• control group (Figure 5). Here, it was thought that the very strong antioxidant capacity of BHT was dominant. Studies of ethosomal formulations developed with EGCG are scarce. To the best of our knowledge, there is only one study that shows the optimization conditions to encapsulate green tea extract into

Electrostatic pull-in application in flexible devices: A review

• Teng Cai,
• Yuming Fang,
• Yingli Fang,
• Ruozhou Li,
• Ying Yu and
• Mingyang Huang

Beilstein J. Nanotechnol. 2022, 13, 390–403, doi:10.3762/bjnano.13.32

• . NEM switches with low voltage and a high number of switching cycles are the main direction of research. Structure optimization: The design of NEM switches with low voltage mainly considers the number of electrodes, mechanical structure, and driving mode. According to the number of electrodes, NEM

Engineered titania nanomaterials in advanced clinical applications

• Padmavati Sahare,
• Paulina Govea Alvarez,
• Juan Manual Sanchez Yanez,
• Gabriel Luna-Bárcenas,
• Samik Chakraborty,
• Sujay Paul and
• Miriam Estevez

Beilstein J. Nanotechnol. 2022, 13, 201–218, doi:10.3762/bjnano.13.15

• rigorous investigation of fundamental properties of TiO2 is essential regarding risk assessment and subsequent performance optimization in vivo. Additionally, since significant investment is required for pre-clinical and clinical studies, the majority of current research products fails in clinical

Theoretical understanding of electronic and mechanical properties of 1T′ transition metal dichalcogenide crystals

• Seyedeh Alieh Kazemi,
• Sadegh Imani Yengejeh,
• Vei Wang,
• William Wen and
• Yun Wang

Beilstein J. Nanotechnol. 2022, 13, 160–171, doi:10.3762/bjnano.13.11

• electronic optimization loop is set to 1 × 10−5 eV. To investigate the elastic constants of the TMDs according to the generalized Hooke’s law, the energies as a function of strain (ε) in the strain range −2.5% ≤ ε ≤ 2.5% with an increment of 0.5% are calculated. The elastic constants Cij are obtained by

Design aspects of Bi₂Sr₂CaCu₂O_8+δ THz sources: optimization of thermal and radiative properties

• Mikhail M. Krasnov,
• Natalia D. Novikova,
• Roger Cattaneo,
• Alexey A. Kalenyuk and
• Vladimir M. Krasnov

Beilstein J. Nanotechnol. 2021, 12, 1392–1403, doi:10.3762/bjnano.12.103

• μm. Consequently, epoxy is not the major problem for crystal devices (unless it is very thick de > 50 μm). For a real device self-heating will depend on the actual geometry, thicknesses, and material parameters. However, our analysis indicates that the optimization is much more important and

• general, our analysis indicated that self-heating optimization is much more important and efficient for whisker devices due to the low intrinsic c-axis heat resistance (caused by the small thickness of the whisker). Furthermore, the cross-like geometry prevents an overlap between the whisker and the

Electrical, electrochemical and structural studies of a chlorine-derived ionic liquid-based polymer gel electrolyte

• Ashish Gupta,
• Amrita Jain,
• Manju Kumari and
• Santosh K. Tripathi

Beilstein J. Nanotechnol. 2021, 12, 1252–1261, doi:10.3762/bjnano.12.92

• %)} was chosen as the optimized blend. After the optimization of polymer and ionic liquid blends, a liquid electrolyte was introduced in the system. Accordingly, different weight percentages of the polymer/ionic liquid blend, {(PVdF-HFP)-[BDiMIM][Cl]} (4:6), in the solution of an optimized liquid

• electrolyte PC-Mg(ClO4)2 (0.3 M) system were tested and the optimization curve is shown in Figure 4. As it can be seen from Figure 4, the maximum conductivity of the liquid electrolyte PC-Mg(ClO4)2 at room temperature is found to be ≈3.36 × 10−3 S·cm−1. Upon the addition of different weight percentages of a

A review on slip boundary conditions at the nanoscale: recent development and applications

• Ruifei Wang,
• Jin Chai,
• Bobo Luo,
• Xiong Liu,
• Jianting Zhang,
• Min Wu,
• Mingdan Wei and
• Zhuanyue Ma

Beilstein J. Nanotechnol. 2021, 12, 1237–1251, doi:10.3762/bjnano.12.91

• . Investigating the effect of gas bubbles on the effective slip length is also of great value especially in the design and optimization of superhydrophobic surfaces, which have lots of applications due to their superlubricating potential [112][113][114]. The liquid flow behavior on such surfaces can be described

Two dynamic modes to streamline challenging atomic force microscopy measurements

• Alexei G. Temiryazev,
• Andrey V. Krayev and
• Marina P. Temiryazeva

Beilstein J. Nanotechnol. 2021, 12, 1226–1236, doi:10.3762/bjnano.12.90

• that errors in choosing this parameter can lead to image distortion and noise, as well as damage to the probe. It can be seen from the foregoing that the choice of scanning parameters depends on both the characteristics of the sample and the sharpness of the probe. Optimization, as a rule, requires a

• , can have fixed values. For example, we can use p1 = 70–80%, p2 = p1 + 4%, Tline = 1 s, Tdir = 0.8 s, Vup = 5 µm/s, Vdown = 2 µm/s. Such a set will provide high-quality images of various samples. Further optimization of the parameters may be needed to address specific goals, for example, to reduce the

First-principles study of the structural, optoelectronic and thermophysical properties of the π-SnSe for thermoelectric applications

• Muhammad Atif Sattar,
• Najwa Al Bouzieh,
• Maamar Benkraouda and
• Noureddine Amrane

Beilstein J. Nanotechnol. 2021, 12, 1101–1114, doi:10.3762/bjnano.12.82

• ) volumes, respectively, and Bo and represent the bulk modulus and its first-order pressure derivative, respectively [9][56][57]. The volume–energy optimization curve of the π-SnSe is shown in Figure 2. The computed ground-state structural parameters are presented in Table 1. For the π-SnSe system, our DFT

• . Each Sn atoms sits on the apex of the trigonal pyramidal surrounded by three Se atoms at the trigonal base with a Sn–Se bond distance of 2.6 Å. Volume–energy optimization curve of the π-SnSe fitted to the Murnaghan’s equation of state. The relaxed lattice constant is ab = 12.108 Å and the optimized

Assessment of the optical and electrical properties of light-emitting diodes containing carbon-based nanostructures and plasmonic nanoparticles: a review

• Keshav Nagpal,
• Erwan Rauwel,
• Frédérique Ducroquet and
• Protima Rauwel

Beilstein J. Nanotechnol. 2021, 12, 1078–1092, doi:10.3762/bjnano.12.80

• determined. Enhancing hole mobility: hole injection and transport layers The optimization of charge carrier injection also consists of reducing the driving voltage of the LED. For achieving this, holes should be readily injected from the high-work-function anode surface (e.g., ITO, SWNT), while the electrons

A new method for obtaining model-free viscoelastic material properties from atomic force microscopy experiments using discrete integral transform techniques

• Berkin Uluutku,
• Enrique A. López-Guerra and
• Santiago D. Solares

Beilstein J. Nanotechnol. 2021, 12, 1063–1077, doi:10.3762/bjnano.12.79

• in the time convolution of Equation 11 and simplifying, we obtain the equation we have previously used as the basis for extracting the viscoelastic model parameters and corresponding properties using non-linear least-squares optimization in our previous work: An alternate strategy is to turn to the

Uniform arrays of gold nanoelectrodes with tuneable recess depth

• Elena O. Gordeeva,
• Ilya V. Roslyakov,
• Alexey P. Leontiev,
• Alexey A. Klimenko and
• Kirill S. Napolskii

Beilstein J. Nanotechnol. 2021, 12, 957–964, doi:10.3762/bjnano.12.72

• segment were selectively etched away after turning the AAO template upside down (Figure 1d). Segment 1 – copper Optimization of the deposition potential (Ed) for the formation of the first Cu segment was performed in the range from −0.1 to −0.5 V. In the case of more negative potentials, an intensive

• AAO top surface. As a consequence, a narrower Ed range from −0.3 to −0.1 V was chosen for an optimization of the electrodeposition conditions for the third segment of Cu. The current density as a function of the time, recorded at different Ed, is demonstrated in Figure 2a. At stage I, a sharp drop in

• the commercial electrolyte Ecomet MB-16 [41]. Optimization of the deposition potential (Ed) in the range from −0.1 to −0.5 V was performed. The current efficiency was determined using gravimetric analysis of Cu layers on the plain Au electrodes. Au was electrodeposited from the commercial electrolyte

The role of convolutional neural networks in scanning probe microscopy: a review

• Ido Azuri,
• Irit Rosenhek-Goldian,
• Neta Regev-Rudzki,
• Georg Fantner and
• Sidney R. Cohen

Beilstein J. Nanotechnol. 2021, 12, 878–901, doi:10.3762/bjnano.12.66

• each training iteration, some of the “neurons” are ignored and their parameters are not updated during the optimization. This leads to reduction in the memorization of the training set resulting in better generalization. Dropout layers [13][18] in CNNs are usually used after the dense layers

• learning and linear programming (an optimization method) for tracking single cells in live-cell imaging of both fluorescent and bright-field images of the cell cytoplasm [112]. Newby et al. developed a CNN for fully automated submicrometer-scale localization of particles such as viruses, proteins, and drug

• . In data-driven control strategies such as the ones developed in one of our labs [128] the traditional optimization-based solvers can be replaced by machine learning, thereby ensuring faster and more accurate tracking of the sample without exciting unwanted resonances. CNNs are particularly promising

Comprehensive review on ultrasound-responsive theranostic nanomaterials: mechanisms, structures and medical applications

• Sepand Tehrani Fateh,
• Lida Moradi,
• Elmira Kohan,
• Michael R. Hamblin and
• Amin Shiralizadeh Dezfuli

Beilstein J. Nanotechnol. 2021, 12, 808–862, doi:10.3762/bjnano.12.64

• opportunity for the development of new biomaterials. The optimization of their responses to local/environmental stimuli can provide better-controlled drug delivery and superior therapeutic effects through the synergistic effect of various environmental stimuli [8][9]. These systems have been discussed in

• of PFP droplets. Therefore, a bubble-forming strategy may be useful in the clinical settings because the volume and morphology of the thermal ablation can be controlled by changes in both droplet concentration and acoustic pressure. This approach offers a new opportunity for the optimization of HIFU

Nanogenerator-based self-powered sensors for data collection

• Yicheng Shao,
• Maoliang Shen,
• Yuankai Zhou,
• Xin Cui,
• Lijie Li and
• Yan Zhang

Beilstein J. Nanotechnol. 2021, 12, 680–693, doi:10.3762/bjnano.12.54

• through material optimization and charge-accumulation strategies [4][62][64][68][69]. In addition, TENGs can be directly used as sensors. For example, TENGs can collect irregular and low-frequency wave energy to generate electricity from blue energy [70]. Self-powered sensors based on TENGs can collect

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

Stability and activity of platinum nanoparticles in the oxygen electroreduction reaction: is size or uniformity of primary importance?

• Kirill O. Paperzh,
• Anastasia A. Alekseenko,
• Vadim A. Volochaev,
• Ilya V. Pankov,
• Olga A. Safronenko and
• Vladimir E. Guterman

Beilstein J. Nanotechnol. 2021, 12, 593–606, doi:10.3762/bjnano.12.49

• urgent task and the optimization of their structure seems to be one of the possible solutions. In the present paper, Pt/C electrocatalysts containing small (2–2.6 nm) nanoparticles (NPs) of a similar size, uniformly distributed over the surface of a carbon support, were obtained by the original method of

On the stability of microwave-fabricated SERS substrates – chemical and morphological considerations

• Limin Wang,
• Aisha Adebola Womiloju,
• Christiane Höppener,
• Ulrich S. Schubert and
• Stephanie Hoeppener

Beilstein J. Nanotechnol. 2021, 12, 541–551, doi:10.3762/bjnano.12.44

• ], nanogratings [18], or the customization of readily available structures (i.e., HR-DVD templates) [19]. The aim of these developments is not only the optimization of the nanoparticle arrangement to obtain high enhancement factors, but also to guarantee uniformity, homogeneity, the ease of fabrication, low

Boosting of photocatalytic hydrogen evolution via chlorine doping of polymeric carbon nitride

• Malgorzata Aleksandrzak,
• Michalina Kijaczko,
• Wojciech Kukulka,
• Daria Baranowska,
• Martyna Baca,
• Beata Zielinska and
• Ewa Mijowska

Beilstein J. Nanotechnol. 2021, 12, 473–484, doi:10.3762/bjnano.12.38

• . Three of the most popular modifications are: (i) coupling with other semiconductors [22][23], (ii) self-optimization of the crystal structure [24][25], and (iii) doping with heteroatoms [26][27]. Therefore, PCN is called the "holy grail" because it is believed that its modifications will result in

Rapid controlled synthesis of gold–platinum nanorods with excellent photothermal properties under 808 nm excitation

• Jialin Wang,
• Qianqian Duan,
• Min Yang,
• Boye Zhang,
• Li Guo,
• Pengcui Li,
• Wendong Zhang and
• Shengbo Sang

Beilstein J. Nanotechnol. 2021, 12, 462–472, doi:10.3762/bjnano.12.37

• + and K2PtCl4 on the morphology and optical properties of the synthesized Au@Pt NRs. After continuous optimization of the synthesis process, a precise and controllable synthesis method of dumbbell-like Au@Pt NRs was proposed (Scheme 1). Au@Pt NRs with ideal size and structure formed after depositing Pt

Reconstruction of a 2D layer of KBr on Ir(111) and electromechanical alteration by graphene

• Zhao Liu,
• Antoine Hinaut,
• Stefan Peeters,
• Sebastian Scherb,
• Ernst Meyer,
• Maria Clelia Righi and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2021, 12, 432–439, doi:10.3762/bjnano.12.35

• presented in Supporting Information File 1, Figure S2. Initially, a system with a periodicity of Ir(111) along the direction of 21 × aIr and along of × aIr (21 × ) was considered, resulting in a moiré pattern similar to the experimental observations. The structural optimization in a variable cell of this

• our previous investigations [56][57], because these corrections often overestimate the adsorption energies on metallic substrates [58][59]. The process of geometry optimization was stopped when the total energy and the forces converged under thresholds of 1 × 10−4 Ry and 1 × 10−3 Ry/bohr, respectively

• a triple-atom duplication along “BBC”) indicated in (a), respectively. DFT simulation of a monolayer KBr on Ir(111). (a) Optimization of a reconstructed KBr layer on Ir(111) with a cell size of 4 × 2 superimposed on the Ir(111) model and experimental data (Br− in red and K+ in blue, the size of the