Ultralow-energy amorphization of contaminated silicon samples investigated by molecular dynamics

• Grégoire R. N. Defoort-Levkov,
• Alan Bahm and
• Patrick Philipp

Beilstein J. Nanotechnol. 2023, 14, 834–849, doi:10.3762/bjnano.14.68

• implantation. The silicon–oxygen and silicon–hydrogen bond lengths are 1.60 and 1.46 Å, respectively, and give a peak in this region, which can be used to estimate the water implantation. At lower energies, the peak intensities related to water species are at their highest, whereas the argon implantation peak

New trends in nanobiotechnology

• Pau-Loke Show,
• Kit Wayne Chew,
• Wee-Jun Ong,
• Sunita Varjani and
• Joon Ching Juan

Beilstein J. Nanotechnol. 2023, 14, 377–379, doi:10.3762/bjnano.14.32

• the interaction between peptides with physiological proteins. Through the study, the selection and rapid design of peptides based on peptide binding sites, hydrogen bond number, and binding affinity were obtained. It was also concluded the potential role of these peptides in the prevention of

Biocatalytic synthesis and ordered self-assembly of silica nanoparticles via a silica-binding peptide

• Mustafa Gungormus

Beilstein J. Nanotechnol. 2023, 14, 280–290, doi:10.3762/bjnano.14.25

• silica precipitation in vitro [29][30][31][32]. The catalytic activity of these proteins is thought to be similar to the serine–histidine–aspartic acid (SHD) catalytic triad [33][34]. In this model, a hydrogen bond between serine and histidine increases the nucleophilicity of serine. Aspartic acid

• hydrogen bond formed between the serine residues of two peptide molecules can increase the nucleophilicity. If this is the case, the nucleophilic attack of serine can facilitate hydrolysis of TEOS. However, a second and more likely speculation is that the SiBP mediates the hydrolysis through arginine

Single-step extraction of small-diameter single-walled carbon nanotubes in the presence of riboflavin

• Polina M. Kalachikova,
• Anastasia E. Goldt,
• Eldar M. Khabushev,
• Timofei V. Eremin,
• Timofei S. Zatsepin,
• Elena D. Obraztsova,
• Konstantin V. Larionov,
• Liubov Yu. Antipina,
• Pavel B. Sorokin and
• Albert G. Nasibulin

Beilstein J. Nanotechnol. 2022, 13, 1564–1571, doi:10.3762/bjnano.13.130

• curvature of the isoalloxazine groups. A dextran fragment was deposited on the riboflavin molecules (Figure 5). Dextran–riboflavin interaction was studied in two different geometries, namely over free ribityl chains or over a hydrogen bond between adjacent isoalloxazine groups of riboflavin molecules on the

Bioselectivity of silk protein-based materials and their bio-inspired applications

• Hendrik Bargel,
• Vanessa T. Trossmann,
• Christoph Sommer and
• Thomas Scheibel

Beilstein J. Nanotechnol. 2022, 13, 902–921, doi:10.3762/bjnano.13.81

• regular secondary structure within one type of silk allows for the condensed packing of protein, as well as the formation of hydrogen bonds, leading to tightly connected intra- and inter-protein chains [111]. While the crystalline regions exhibit a high hydrogen bond density accounting for the strength of

• a silk fibre, the unordered amorphous regions with less hydrogen bond density induce flexibility [109]. Besides considerable variations in arthropods, the silk of silkworms and related moths, and that of orb-weaving spiders share some features. Their silk proteins are often of high molecular weight

Efficient liquid exfoliation of KP₁₅ nanowires aided by Hansen's empirical theory

• Zhaoxuan Huang,
• Zhikang Jiang,
• Nan Tian,
• Disheng Yao,
• Fei Long,
• Yanhan Yang and
• Danmin Liu

Beilstein J. Nanotechnol. 2022, 13, 788–795, doi:10.3762/bjnano.13.69

• coefficient and the Hansen solubility parameters for KP15 According to the Hansen’s theory [19], the dispersed concentration C of a KP15 dispersion prepared by liquid exfoliation can be expressed by Equation 1 as follows. where δD is the intermolecular dispersion force, δH is the intermolecular hydrogen bond

Design and selection of peptides to block the SARS-CoV-2 receptor binding domain by molecular docking

• Kendra Ramirez-Acosta,
• Ivan A. Rosales-Fuerte,
• J. Eduardo Perez-Sanchez,
• Alfredo Nuñez-Rivera,
• Josue Juarez and
• Ruben D. Cadena-Nava

Beilstein J. Nanotechnol. 2022, 13, 699–711, doi:10.3762/bjnano.13.62

• . The docked complex was superimposed onto the crystallized complex using PyMOL and an RMSD calculation was performed. Proposing new peptides based on hydrogen-bond formation Based on the selected APD peptides, new peptides were designed in order to improve the capability to block the SARS-CoV-2 RBD

• complex showed a low RMSD of 0.31 Å (Figure 3). Generally, an RMSD value of 2 Å or lower is considered a good docking, thus confirming the validity of the protocol [48]. Proposing new peptides based on hydrogen-bond formation Since hydrogen bonds play an important role in the formation and stabilization

• peptide design, in which complex algorithms are used to generate a large peptide library [49][50]. In contrast, designing peptides based on hydrogen bond interactions allows one to generate peptides that target specific sites while reducing computation time [51]. Figure 4 shows the most frequent amino

Tin dioxide nanomaterial-based photocatalysts for nitrogen oxide oxidation: a review

• Viet Van Pham,
• Hong-Huy Tran,
• Thao Kim Truong and
• Thi Minh Cao

Beilstein J. Nanotechnol. 2022, 13, 96–113, doi:10.3762/bjnano.13.7

• photocatalytic mechanisms, and the polymer photodegradation of the resulting nanocomposite using DFT techniques. The results confirmed that the interaction between NO and PANI is indeed a hydrogen bond and photogenerated holes serve as the primary factor of the photocatalytic NO removal [35]. Moreover, this

Morphology-driven gas sensing by fabricated fractals: A review

• Vishal Kamathe and
• Rupali Nagar

Beilstein J. Nanotechnol. 2021, 12, 1187–1208, doi:10.3762/bjnano.12.88

• superior diffusion and adsorption/desorption properties. Also, there was a synergistic effect of hydrogen bond formation and reducing abilities of the tested gas. Figure 21f and Figure 21g illustrate response and recovery time curves of the sensor when exposed to vapors of formic and acetic acid at 260 °C

The role of deep eutectic solvents and carrageenan in synthesizing biocompatible anisotropic metal nanoparticles

• Nabojit Das,
• Akash Kumar and
• Raja Gopal Rayavarapu

Beilstein J. Nanotechnol. 2021, 12, 924–938, doi:10.3762/bjnano.12.69

• possible to modulate the viscosity of DESs, especially NADES, by varying the composition ratio of hydrogen bond donor and hydrogen bond acceptor components [29]. Also, the growth mechanisms and nucleation processes of nanoparticles are highly modulated by the components of DESs through modifying reduction

• melting points, which interact via hydrogen bond to form a fluid at room temperature with a freezing temperature much below that of the individual precursor components. These strong hydrogen bonds restrict the recrystallization of the parent compounds [72]. There are numerous reports on DESs from various

• combinations of compounds by self-association between hydrogen bond donors and acceptors. The most extensively studied to date involve mixtures of choline chloride (hydrogen bond acceptor) with urea, ethylene glycol, or glycerol (hydrogen bond donors) in a molar ratio of 1:2 [25]. However, more DESs can be

Surface-enhanced Raman scattering of water in aqueous dispersions of silver nanoparticles

• Paulina Filipczak,
• Krzysztof Hałagan,
• Jacek Ulański and
• Marcin Kozanecki

Beilstein J. Nanotechnol. 2021, 12, 497–506, doi:10.3762/bjnano.12.40

• , due to the presence of vibrational overtones and combinational modes in the UV–vis absorption spectrum of liquid water. Woutersen and Bakker [21] showed that fast intermolecular transfer of vibrational energy is present only in structured systems, such as the hydrogen bond network in liquid water

• , which favours the presence of resonance. This indicates that OH oscillators of water molecules can reach the resonant state provided that they are strongly linked to each other via hydrogen bonds. All factors considered destructive to the hydrogen bond structure (e.g., temperature) make the resonance

• species in the dispersion (e.g., citrate, sodium, potassium, bromide – only in the AgNPs yellow sample) because ionic additives result in the decrease of the low frequency component around 3200 cm−1 due to their destructive impact on the hydrogen bond network in liquid water [17]. Moreover, the observed

PTCDA adsorption on CaF₂ thin films

• Philipp Rahe

Beilstein J. Nanotechnol. 2020, 11, 1615–1622, doi:10.3762/bjnano.11.144

• herringbone pattern, are not compatible with the three-fold rotational symmetry and the surface lattice dimensions. The adsorption geometry seems to especially block the common hydrogen bond motif between PTCDA molecules. Conclusion Adsorption properties of PTCDA molecules on Si(111)-(7 × 7), CaF1/Si(111

Adsorption and self-assembly of porphyrins on ultrathin CoO films on Ir(100)

• Feifei Xiang,
• Tobias Schmitt,
• Marco Raschmann and
• M. Alexander Schneider

Beilstein J. Nanotechnol. 2020, 11, 1516–1524, doi:10.3762/bjnano.11.134

• that are oriented parallel to each other. This bond mediates the interaction along the vertical direction in Figure 6b. The second is a hydrogen bond between a CN group and the macrocycle of a molecule nearby (along the horizontal direction in Figure 6b). A structural analysis of Figure 6b reveals a

• superstructure with respect to the quasi-hexagonal structure of the CoO 2BL film (red rectangle in Figure 6b). Arranging 2 in its gas phase configuration within this cell, we find that the CN groups of the dipolar bond have a distance of 0.4 nm and that the hydrogen bond has a length of 0.3 nm between the N atom

• and the closest H atom of the macrocycle. Expecting some distortions of the molecule on the surface, this is well in the range of dipolar and hydrogen bond distances [25][30][45]. From the molecular orientation of the assembly marked by the black rectangle in Figure 6a, shown in detail in Figure 6c

A few-layer graphene/chlorin e6 hybrid nanomaterial and its application in photodynamic therapy against Candida albicans

• Selene Acosta,
• Carlos Moreno-Aguilar,
• Dania Hernández-Sánchez,
• Beatriz Morales-Cruzado,
• Erick Sarmiento-Gomez,
• Carla Bittencourt,
• Luis Octavio Sánchez-Vargas and
• Mildred Quintana

Beilstein J. Nanotechnol. 2020, 11, 1054–1061, doi:10.3762/bjnano.11.90

• negatively affected, resulting in the interaction by H-bond formation. Thus, FLG and Ce6 interact by means of π–π stacking, Ce6–Ce6 transition dipole, hydrogen bond formation, hydrophobic, and electron-donor interactions [36]. The observed changes in the UV–vis spectrum of FLG- Ce6 corroborates the TEM

Three-dimensional solvation structure of ethanol on carbonate minerals

• Hagen Söngen,
• Ygor Morais Jaques,
• Peter Spijker,
• Christoph Marutschke,
• Stefanie Klassen,
• Ilka Hermes,
• Ralf Bechstein,
• Lidija Zivanovic,
• John Tracey,
• Adam S. Foster and
• Angelika Kühnle

Beilstein J. Nanotechnol. 2020, 11, 891–898, doi:10.3762/bjnano.11.74

• hydrogen creates a hydrogen bond with a protruding oxygen of a carbonate group. During the time of the simulation (10 ns), all ethanol molecules in the first layer exhibit a highly confined lateral position, which fits to the observed lateral order. In rare cases, we observed that some of the hydrogens

• from the OH group switch the hydrogen bond back and forth to a neighboring carbonate group within a very similar distance during the simulation run, which we further discuss in Supporting Information File 1. To compare the MD simulations with the AFM data, we use the well-established “solvent–tip

Identification of physicochemical properties that modulate nanoparticle aggregation in blood

• Ludovica Soddu,
• Duong N. Trinh,
• Eimear Dunne,
• Dermot Kenny,
• Giorgia Bernardini,
• Ida Kokalari,
• Arianna Marucco,
• Marco P. Monopoli and
• Ivana Fenoglio

Beilstein J. Nanotechnol. 2020, 11, 550–567, doi:10.3762/bjnano.11.44

• groups/nm2 [31][32]. Both surfaces exhibit surface sites able to form hydrogen bonds or hydrophobic interaction with proteins. However, such tendency may be different since hydrogen bond formation obeys geometrical constraints due to the directional character of this bond. On the other hand, both silica

Multilayer capsules made of weak polyelectrolytes: a review on the preparation, functionalization and applications in drug delivery

• Varsha Sharma and
• Anandhakumar Sundaramurthy

Beilstein J. Nanotechnol. 2020, 11, 508–532, doi:10.3762/bjnano.11.41

• strength of the hydrogen bond between the pair, making it suitable for specific drug delivery applications. Hydrogen bonded PAA/polyvinylpyrrolidone (PVP) multilayer films on planar surfaces were first reported by Wang et al. in 1997 [46]. It was later extended to 3D systems in 2003 wherein PVP/methyl

• the film erosion rate, the effect of ionic strength was largely dependent on the type and valence state of the salts [51]. Although the hydrogen bond is much weaker than the electrostatic interactions, and could be easily damaged by the dissolution processes, their stimuli responsiveness and the

Synthesis and potent cytotoxic activity of a novel diosgenin derivative and its phytosomes against lung cancer cells

• Liang Xu,
• Dekang Xu,
• Ziying Li,
• Yu Gao and
• Haijun Chen

Beilstein J. Nanotechnol. 2019, 10, 1933–1942, doi:10.3762/bjnano.10.189

• and natural active ingredients in which the active ingredients, which contain sufficient polar functional groups such as COOH, OH, and NH2, are anchored to the polar head of phospholipids by polar and hydrogen-bond interactions [28]. Because of the interactions, phospholipids and natural active

Biocatalytic oligomerization-induced self-assembly of crystalline cellulose oligomers into nanoribbon networks assisted by organic solvents

• Yuuki Hata,
• Yuka Fukaya,
• Toshiki Sawada,
• Masahito Nishiura and
• Takeshi Serizawa

Beilstein J. Nanotechnol. 2019, 10, 1778–1788, doi:10.3762/bjnano.10.173

• . To gain insight into the mechanism underlying the nanoribbon network formation, we focused on the Kamlet–Taft solvent parameters, which are the most comprehensive and frequently used quantitative measure of solvent properties [58][59]. Among the three parameters, namely, the hydrogen bond donation

• ability (acidity) α, the hydrogen bond acceptor ability (basicity) β, and the dipolarity/polarizability π*, β was found to be correlated. The organic solvents with relatively high β-values were found to induce the nanoribbon network formation (Table 2). This finding suggests that the precipitation of the

Materials nanoarchitectonics at two-dimensional liquid interfaces

• Katsuhiko Ariga,
• Michio Matsumoto,
• Taizo Mori and
• Lok Kumar Shrestha

Beilstein J. Nanotechnol. 2019, 10, 1559–1587, doi:10.3762/bjnano.10.153

• between amphiphilic triimide with three alkyl chains, a monolayer component, and 1,4,7,10-tetraazacyclododecane (cyclen), a subphase template, was used to regulate the formation of hydrogen bonds between the imide functional groups as hydrogen-bond acceptors and the secondary amine moieties of cyclen as

• hydrogen-bond donors. The two-dimensional quick dewetting process on a Langmuir–Schaefer-type surface can induce a good dispersion of nanodisks. Although the heights of nanodisks reported so far are within a narrow range between 2.6 and 2.9 nm, their diameters can widely range from 46 to 73 nm depending on

• only at the shorter sides of the rectangle pieces where dangling DNA chains remained. The enhanced capability of hydrogen-bond formation at the air–water interface resulted in one-dimensional supramolecular polymers through inter-piece connections at the specific sides. Interestingly, dynamic motion is

Outstanding chain-extension effect and high UV resistance of polybutylene succinate containing amino-acid-modified layered double hydroxides

• Adam A. Marek,
• Vincent Verney,
• Christine Taviot-Gueho,
• Grazia Totaro,
• Laura Sisti,
• Annamaria Celli and
• Fabrice Leroux

Beilstein J. Nanotechnol. 2019, 10, 684–695, doi:10.3762/bjnano.10.68

• thickness of the LDH hydroxide layer ≈2.1 Å and the hydrogen bond distances ≈2.7 Å from these interlayer distances, one can estimate the space available for the organic anion along the c direction. A value of ≈4.7 Å was thus obtained for LDH/HIS and ≈10.9 Å for LDH/PHE. A comparison with the dimensions of

Polymorphic self-assembly of pyrazine-based tectons at the solution–solid interface

• Achintya Jana,
• Puneet Mishra and
• Neeladri Das

Beilstein J. Nanotechnol. 2019, 10, 494–499, doi:10.3762/bjnano.10.50

• pyrazine-based tectons will be utilized to form modular supramolecular structures using self-assembly based on hydrogen and halogen bonds on surfaces such as graphene [29]. Both the halogen bond and the hydrogen bond have comparable strengths [30][31], and have been utilized frequently in supramolecular

Biocompatible organic–inorganic hybrid materials based on nucleobases and titanium developed by molecular layer deposition

• Leva Momtazi,
• Henrik H. Sønsteby and
• Ola Nilsen

Beilstein J. Nanotechnol. 2019, 10, 399–411, doi:10.3762/bjnano.10.39

• N1–H (1508 cm−1) after coordination with titanium, as reported previously in Na-uracil thin films and explained by N–H···O hydrogen bond pairs formed between uracil molecules [30]. This may be due to the amorphous nature of our Ti-based complex, hampering the arrangement of the nucleobases. The

pH-mediated control over the mesostructure of ordered mesoporous materials templated by polyion complex micelles

• Emilie Molina,
• Mélody Mathonnat,
• Jason Richard,
• Patrick Lacroix-Desmazes,
• Martin In,
• Philippe Dieudonné,
• Thomas Cacciaguerra,
• Corine Gérardin and
• Nathalie Marcotte

Beilstein J. Nanotechnol. 2019, 10, 144–156, doi:10.3762/bjnano.10.14

• −) interacting either directly or through a mediator species (halide anion X− or alkaline cation M+),[1] while the other one proceeds through an electrically neutral route involving hydrogen bond interactions between neutral amine (S0) [2] or poly(ethylene oxide) (N0) [3] based SDA and neutral inorganic species

• acid units (AA in the DHBC), the hydrogen bond interaction ensuring the formation of the hybrid organic–inorganic interface between the ether oxygen (EO) of the PEO and the silica species (Si), and the self-condensation of silica species. The two molar ratios N/AA and EO/Si, respectively indicative of

• ). The EO/Si ratio is almost constant (EO/Si ≈0.6), which highlights the favorable hydrogen bond interactions between the ethylene oxide groups of PEO blocks and hydrolyzed silicic species (Si–OH) in this pH range. At an intermediate pH (5.5 < pH ≤ 6.9), the N/AA increase may reflect not only the

Nanocellulose: Recent advances and its prospects in environmental remediation

• Katrina Pui Yee Shak,
• Yean Ling Pang and
• Shee Keat Mah

Beilstein J. Nanotechnol. 2018, 9, 2479–2498, doi:10.3762/bjnano.9.232

• hydroxyapatite nanostructures can interact with cellulose structures effectively, resulting in the enhancement of nanocomposites properties due to their strong hydrogen bond, divalent character, and relatively small ionic radius. Anirudhan et al. [92] chemically modified a composite polymer to produce a poly

• are still rare since researchers mainly focused on adsorption of metals from diluted aqueous solution or photocatalysis as discussed in previous sections. Agglomeration remains an issue in the application of CNCs as flocculants. This is due to the hydrogen bond networks arising from the –OH groups on