DNA origami deposition on native and passivated molybdenum disulfide substrates

• Xiaoning Zhang,
• Masudur Rahman,
• David Neff and
• Michael L. Norton

Beilstein J. Nanotechnol. 2014, 5, 501–506, doi:10.3762/bjnano.5.58

• ordered array. These results are of crucial importance, as they support the hypothesis that the van der Waals interaction between MoS2 and the DNA in the origami is of sufficient strength to destabilize the hydrogen bonds as well as the π–π stacking interactions in the relatively short duplex regions

Morphological characterization of fullerene–androsterone conjugates

• Alberto Ruiz,
• Margarita Suárez,
• Nazario Martin,
• Fernando Albericio and
• Hortensia Rodríguez

Beilstein J. Nanotechnol. 2014, 5, 374–379, doi:10.3762/bjnano.5.43

• appendage of these monoadducts, may be responsible of the difference size between both diastereomeric pairs, considering the different strength of the hydrogen bonds between these groups and water. Similar behavior has been observed in C60 monoadducts with one or two hydrophilic heads [19][20][21][22]. For

Exploring the complex mechanical properties of xanthan scaffolds by AFM-based force spectroscopy

• Hao Liang,
• Guanghong Zeng,
• Yinli Li,
• Shuai Zhang,
• Huiling Zhao,
• Lijun Guo,
• Bo Liu and
• Mingdong Dong

Beilstein J. Nanotechnol. 2014, 5, 365–373, doi:10.3762/bjnano.5.42

• isopropanol instead of water. Xanthan likely forms more hydrogen bonds in water than in isopropanol, and therefore the stiffness measured in isopropanol should be less than that in water. The discrepancy of measured persistence length between our study and the previous study could also suggest that the

Some reflections on the understanding of the oxygen reduction reaction at Pt(111)

• Ana M. Gómez-Marín,
• Ruben Rizo and
• Juan M. Feliu

Beilstein J. Nanotechnol. 2013, 4, 956–967, doi:10.3762/bjnano.4.108

• through the water network, because of the necessary similar molecular composition of this intermediate and water, which would enable the formation of hydrogen bonds. It is important to remark that the formation of this soluble intermediate is dependent on the potential, i.e., at low ω, the aforementioned

Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport

• Pavel V. Komarov,
• Pavel G. Khalatur and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2013, 4, 567–587, doi:10.3762/bjnano.4.65

Novel composite Zr/PBI-O-PhT membranes for HT-PEFC applications

• Mikhail S. Kondratenko,
• Igor I. Ponomarev,
• Marat O. Gallyamov,
• Dmitry Y. Razorenov,
• Yulia A. Volkova,
• Elena P. Kharitonova and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2013, 4, 481–492, doi:10.3762/bjnano.4.57

• level of several phosphoric acid molecules per PBI monomer unit. Only one PA molecule is really bound to the protonated N-atom, the other molecules are retained by hydrogen bonds. This acid–base bonding requires an immobilized proton to be excluded from the proton transport. In contrast, the direct

Molecular dynamics simulations of mechanical failure in polymorphic arrangements of amyloid fibrils containing structural defects

• Hlengisizwe Ndlovu,
• Alison E. Ashcroft,
• Sheena E. Radford and
• Sarah A. Harris

Beilstein J. Nanotechnol. 2013, 4, 429–440, doi:10.3762/bjnano.4.50

• subjected to “stretch”, in spite of the fact that they contain different numbers of hydrogen bonds (Figure 3b). Moreover, a systematic simulation study of the relationship between thermodynamic stability and the symmetry class of fibrils has shown that in (non-Q/N)-rich sequences, the antiparallel fibrils

• fibril lengths, the mean peak force during SMD was normalised to the number of interfaces probed. Figure 6b shows that all three fibril models register an increase in the mean peak force per interface upon elongation. This indicates that the increase in the total number of hydrogen bonds between the

• marginal at 9%. The ranking of peak force per interface amongst the polymorphs is reflected in the total number of backbone and side-chain hydrogen bonds present in each model (Figure 3d). We also investigated the dependence of the mechanical response to the “peel” deformation, which interrogates the

Nanoscopic surfactant behavior of the porin MspA in aqueous media

• Ayomi S. Perera,
• Hongwang Wang,
• Tej B. Shrestha,
• Deryl L. Troyer and
• Stefan H. Bossmann

Beilstein J. Nanotechnol. 2013, 4, 278–284, doi:10.3762/bjnano.4.30

• motion of MspA with increasing temperature may lead to a changing dynamics of the forming and breaking of hydrogen bonds as the temperature is increased. We are unable at this point to provide a qualitative analysis of this phenomenon. The zeta potential of MspA vesicles in 1× PBS as a function of

• kJ·mol−1 per bridge/repulsion) in supramolecular binding [30]. The pH of both media ((5 × 10−5)× PBS and 1× PBS) was exactly 7.20 at 296 K. Therefore, we assume that the extent of hydrogen bonding events between the MspA “heads” in the bilayer occurs when forming vesicles from both media. Hydrogen bonds

Influence of the solvent on the stability of bis(terpyridine) structures on graphite

• Daniela Künzel and
• Axel Groß

Beilstein J. Nanotechnol. 2013, 4, 269–277, doi:10.3762/bjnano.4.29

• . Dreiding/QEq, Compass and CVFF have stronger hydrogen bonds of 105 to 137 meV. Although they yield water–water distances that are too small, their densities agree very well with the experimental result. With less than 40 meV, UFF greatly underestimates the hydrogen bonds, resulting in particularly low

• , it is important to note that liquid water is only poorly reproduced by the force fields considered in this study due to problems with the reliable description of intermolecular hydrogen bonds and liquid densities. For TCB on the other hand, the force-field results are reasonably accurate, possibly

• because hydrogen bonds are less important in the TCB bonding. Validation step 2: solvation energies As a further validation, we addressed the interaction between solvent and dissolved organic molecule, which should be reproduced accurately for a meaningful description of the system. As test systems, we

Friction and durability of virgin and damaged skin with and without skin cream treatment using atomic force microscopy

• Bharat Bhushan,
• Si Chen and
• Shirong Ge

Beilstein J. Nanotechnol. 2012, 3, 731–746, doi:10.3762/bjnano.3.83

• relative humidity increases, the coefficient of friction of all untreated and treated skin samples increases. As discussed earlier, the hydrophilic groups in the humectants of skin cream tend to form hydrogen bonds with water molecules, such that the humectants help the skin surface to attract water

Paper modified with ZnO nanorods – antimicrobial studies

• Mayuree Jaisai,
• Sunandan Baruah and
• Joydeep Dutta

Beilstein J. Nanotechnol. 2012, 3, 684–691, doi:10.3762/bjnano.3.78

• grown on glass substrates [25]. The proper attachment of the ZnO nanorods to the paper is crucial for commercial applications. Cellulose, the major ingredient of softwood pulp, is a long-chain polymer with hydroxyl groups that can form hydrogen bonds with the surface oxygen atoms of ZnO nanoparticles

Dimer/tetramer motifs determine amphiphilic hydrazine fibril structures on graphite

• Loji K. Thomas,
• Nadine Diek,
• Uwe Beginn and
• Michael Reichling

Beilstein J. Nanotechnol. 2012, 3, 658–666, doi:10.3762/bjnano.3.75

• functionalities can efficiently stabilize structures through intermolecular hydrogen bonds. On the other hand, the alkyl chains are expected to promote self-assembly into extended structures through interchain van der Waals interactions as well as adsorption on HOPG due to their epitaxial match with the C–C bonds

• partially compensated by additional interdimer hydrogen bonds (see Figure 5a). Due to a perfect interdigitation of alkyl chains, the fibril has only a weak interaction with the substrate. We speculate that defects introduce internal stress resulting in a small bending of the initially planar sheet. A fibril

• fragment may result if the specific zigzag structure facilitates a hydrogen-bond closure from open hydrogen bonds, as indicated (unbonded H atoms at the top of the net and O atoms at the bottom) in Figure 5a. Fibril fragments can grow with different diameters depending on the number of molecules in the

Spontaneous dissociation of Co₂(CO)₈ and autocatalytic growth of Co on SiO₂: A combined experimental and theoretical investigation

• Kaliappan Muthukumar,
• Harald O. Jeschke,
• Roser Valentí,
• Evgeniya Begun,
• Johannes Schwenk,
• Fabrizio Porrati and
• Michael Huth

Beilstein J. Nanotechnol. 2012, 3, 546–555, doi:10.3762/bjnano.3.63

• charges on the CO ligands (Table 2, second and third columns) confirm this observation. Nevertheless, the formation of hydrogen bonds with surface hydroxyls leads to some charge redistribution within the adsorbed molecule, resulting in a reduction of positive charge from +0.74 to +0.55 on Co. Also, we

Surface functionalization of aluminosilicate nanotubes with organic molecules

• Wei Ma,
• Weng On Yah,
• Hideyuki Otsuka and
• Atsushi Takahara

Beilstein J. Nanotechnol. 2012, 3, 82–100, doi:10.3762/bjnano.3.10

• silicate on the inner wall [22]. The latest crystallographic study showed that the imogolite tubes pack in a monoclinic arrangement through hydrogen bonds that form between the tubes (Figure 2) [24]. The artificial method to prepare imogolite was proposed by Farmer et al. in 1977 using the mild chemistry

Self-organizing bioinspired oligothiophene–oligopeptide hybrids

• Alexey K. Shaytan,
• Eva-Kathrin Schillinger,
• Elena Mena-Osteritz,
• Sylvia Schmid,
• Pavel G. Khalatur,
• Peter Bäuerle and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2011, 2, 525–544, doi:10.3762/bjnano.2.57

• to the local free-energy minimum where all local degrees of freedom (torsion angles, side chain conformations, hydrogen bonds) achieve their optimal positions. Then, these optimal arrangements were used to construct long fibrillar aggregates, the dynamic and statistical behaviors of which were

• step, two molecules were arranged into two single-layered periodic structures with a parallel and an antiparallel arrangement of β-strands, the peptide segments in both cases were aligned in register so as to maximize the number of interstrand hydrogen bonds, which was monitored during the system

• single layer fibrils, double layer fibrils result in almost planar tapes with a possible twist along the axis. The interactions between the adjacent single layer tapes strengthen the structure and molecular order by hydrogen bonds and steric interactions. However, the interactions also reduce the peptide

Inorganic–organic hybrid materials through post-synthesis modification: Impact of the treatment with azides on the mesopore structure

• Miriam Keppeler,
• Jürgen Holzbock,
• Johanna Akbarzadeh,
• Herwig Peterlik and
• Nicola Hüsing

Beilstein J. Nanotechnol. 2011, 2, 486–498, doi:10.3762/bjnano.2.52

• solvent (N,N-dimethylformamide, 1,1,3,3-tetramethylurea, 1,3-dimethyl-2-imidazolidinone) or a protic solvent that can form hydrogen bonds, such as water, was used. Keywords: inorganic–organic hybrid materials; mesoporous materials; nucleophilic substitution; silica; sol–gel chemistry; Introduction

Septipyridines as conformationally controlled substitutes for inaccessible bis(terpyridine)-derived oligopyridines in two-dimensional self-assembly

• Daniel Caterbow,
• Daniela Künzel,
• Michael G. Mavros,
• Axel Groß,
• Katharina Landfester and
• Ulrich Ziener

Beilstein J. Nanotechnol. 2011, 2, 405–415, doi:10.3762/bjnano.2.46

• ], and the molecules assemble into a broad variety of two-dimensional (2D) structures based on weak intermolecular C–H…N hydrogen bonds. Due to the directionality of the hydrogen bonds, the relative orientation of the peripheral pyridine rings has a strong impact on the 2D structure; in contrast, the

• ± 2° is observed. A closer look at the bright areas reveals small bright spots, which we attribute to the single (hetero)aromatic rings. The submolecular resolution allows for the suggestion of a tentative model. Self-assembly can be explained by the presence of intermolecular hydrogen bonds, which is

• isomers, the BTP molecules arrange in a similar fashion (Figure 5), forming intermolecular hydrogen bonds at comparable positions. In addition, the lattice constants of the relaxed network differ by less than 1%. For 2,4'-BTP (2), the Compass-optimized [32] lattice constant is 3.23 nm, and it is 3.26 nm

Influence of water on the properties of an Au/Mpy/Pd metal/molecule/metal junction

• Jan Kučera and
• Axel Groß

Beilstein J. Nanotechnol. 2011, 2, 384–393, doi:10.3762/bjnano.2.44

• compared to the adsorption energy of a single water molecule, e.g., for the Hdown structure on Pd(111) it is −0.56 eV per molecule. However, the dominating contribution is coming from intermolecular hydrogen bonds rather then from water–molecule interactions [16][18]. Consequently, because of the rather

• monomer and the palladium layer of the Au/Mpy/Pd complex. This corresponds to a water coverage () of 1/3 of a monolayer (ML) in which individual H2O molecules are relatively isolated from each other and do not form intermolecular hydrogen bonds. In the second step we add another H2O molecule to the layer

• bilayer. In the optimized structure the first type of water molecule (H2OO–Pd) is located at the top site above the Pdb atoms in a geometry similar to the one of a single H2O molecule on Au/Mpy/Pd (Table 1). Both H atoms of this H2OO–Pd molecule are involved in hydrogen bonds (H-bond) to two water

Intermolecular vs molecule–substrate interactions: A combined STM and theoretical study of supramolecular phases on graphene/Ru(0001)

• Michael Roos,
• Benedikt Uhl,
• Daniela Künzel,
• Harry E. Hoster,
• Axel Groß and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2011, 2, 365–373, doi:10.3762/bjnano.2.42

• presented in Figure 2. For both molecules, the intermolecular interactions are dominated by hydrogen bonds. In the case of the 3,3'-BTP the numbers 3,3' indicate the position of the outer nitrogen atoms which are responsible for hydrogen bonding between adjacent molecules. The strengths of these hydrogen

• bonds, however, are rather different for the two molecules. In the case of the 3,3'-BTP molecules, weak C–H…N-type hydrogen bonds are formed which are typically in the range of 100 meV [25]. The C–H…O-type hydrogen bonds formed between PTCDA molecules are somewhat stronger and result in intermolecular

• ]. Due to the position of the N atoms and of the resulting hydrogen bonds between the 3,3'-BTP molecules, the attachment of an additional molecule at the end of a molecular chain is not restricted to an anti-parallel arrangement, but can occur also at an angle of 60° with respect to the last molecule in

Dynamics of capillary infiltration of liquids into a highly aligned multi-walled carbon nanotube film

• Sławomir Boncel,
• Krzysztof Z. Walczak and
• Krzysztof K. K. Koziol

Beilstein J. Nanotechnol. 2011, 2, 311–317, doi:10.3762/bjnano.2.36

• , via hydrogen bonds, entangling individual CNTs. It was found recently that polysaccharides, wrapped around nanotubes, enabled their “solubility” to various levels of unbundling (rope-to-single-tube transition) [38]. The best dispersions were obtained when gum arabic was used as a natural surfactant