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Search for "solvation" in Full Text gives 36 result(s) in Beilstein Journal of Nanotechnology.

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

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  • bonding and/or ionic solvation has been reported for various materials such as poly(N-isopropylacrylamide) (PNIPAAm) [68][69], dextrans [69], poly(ethyleneimine) (PEI) [70][71], and chitosan [72]. Concerning proteins, several studies have reported different molecules to generate effective antiadhesive
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Published 08 Sep 2022

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

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  • solvation potentials are neglected, while van der Waals potential, the nondirectional hydrogen bond term, the hydrophobic term, and a conformational entropy penalty are considered) [20][21]. It can be observed that the binding energy values (Table 1 and Table 2) are significantly lower than the binding
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Published 22 Jul 2022

Sputtering onto liquids: a critical review

  • Anastasiya Sergievskaya,
  • Adrien Chauvin and
  • Stephanos Konstantinidis

Beilstein J. Nanotechnol. 2022, 13, 10–53, doi:10.3762/bjnano.13.2

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Published 04 Jan 2022

Identifying diverse metal oxide nanomaterials with lethal effects on embryonic zebrafish using machine learning

  • Richard Liam Marchese Robinson,
  • Haralambos Sarimveis,
  • Philip Doganis,
  • Xiaodong Jia,
  • Marianna Kotzabasaki,
  • Christiana Gousiadou,
  • Stacey Lynn Harper and
  • Terry Wilkins

Beilstein J. Nanotechnol. 2021, 12, 1297–1325, doi:10.3762/bjnano.12.97

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Published 29 Nov 2021

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

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  • solvent. The solvation property determines the chemical (especially electrochemical) synthesis technology. Therefore, studying the solvation properties of a solvent is quite important for potential applications. DESs, due to their good solvation and electroconductivity properties, have been utilized in
  • surface coating with nanoparticles through electrodeposition. A general electrodeposition setup consists of three electrodes, that is cathode, anode, and a reference electrode [78]. The solvation property and the conductivity of DESs also play a critical role in determining the physical structure, yield
  • plasmonic metal nanomaterials with controlled size and shape for biological applications. In this way, the presence of the surfactant shall cause minimal or no cytotoxicity while maintaining the integrity of the nanoparticles. The higher degree of solvation observed in DESs leads to the complete dissolution
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Published 18 Aug 2021

Electrokinetic characterization of synthetic protein nanoparticles

  • Daniel F. Quevedo,
  • Cody J. Lentz,
  • Adriana Coll de Peña,
  • Yazmin Hernandez,
  • Nahal Habibi,
  • Rikako Miki,
  • Joerg Lahann and
  • Blanca H. Lapizco-Encinas

Beilstein J. Nanotechnol. 2020, 11, 1556–1567, doi:10.3762/bjnano.11.138

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  • obtained from SEM and DLS were similar to those previously obtained from EHD jetting [56]. The size difference between the SEM and DLS measurements resulted from the particle solvation state since they swell in water. A swelling behavior of a similar magnitude was observed in both ultrapure H2O and in the
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Published 13 Oct 2020

Self-assembly and spectroscopic fingerprints of photoactive pyrenyl tectons on hBN/Cu(111)

  • Domenik M. Zimmermann,
  • Knud Seufert,
  • Luka Ðorđević,
  • Tobias Hoh,
  • Sushobhan Joshi,
  • Tomas Marangoni,
  • Davide Bonifazi and
  • Willi Auwärter

Beilstein J. Nanotechnol. 2020, 11, 1470–1483, doi:10.3762/bjnano.11.130

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  • experiments, the photophysical characterization in solution, and the DFT modeling (in vacuum and with toluene solvation) evidence a reduction of the molecular gap when proceeding from di- to tetrasubstituted pyrene derivatives, but with effects that are different depending on the chemical surrounding. Results
  • calculations (CAM-B3LYP/6-31G**, toluene CPCM solvation) [69][73] were further performed, and the results are summarized in Figure 8c, Figure 8d, and Tables S1–S3. The main transitions for the trans-pyrene seemed to originate from the HOMO→LUMO transition (estimated at λ = 411 nm (3.02 eV), f = 1.82) and the
  • polarizable continuum model (CPCM) was used to introduce nonspecific solvation effects. The spectra were generated either with GaussView 5 [94] or GaussSum [95], assuming a half-width of 0.15 eV for proper simulation. The IP and EA were determined as the vertical energy difference between the neutral molecule
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Published 29 Sep 2020

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

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  • molecular dynamics (MD) simulations. Within a single AFM data set we are able to resolve both the first laterally ordered solvation layer of ethanol on the calcite surface as well as the following solvation layers that show no lateral order. Our experimental results are in excellent agreement with MD
  • reveals a qualitatively similar ethanol arrangement on both carbonates, indicating the general nature of this finding. Keywords: 3D AFM; calcite; ethanol; magnesite; MD simulation; solvation structure; Introduction Sedimentary rocks including the minerals calcite and magnesite are abundant constituents
  • obtained to date. Furthermore, no information on the interfacial orientation and binding configuration has been collected experimentally. Here, we report on high-resolution 3D AFM data that reveals both the lateral and the vertical solvation structure at the calcite–ethanol interface in a single data set
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Published 10 Jun 2020

Molecular architectonics of DNA for functional nanoarchitectures

  • Debasis Ghosh,
  • Lakshmi P. Datta and
  • Thimmaiah Govindaraju

Beilstein J. Nanotechnol. 2020, 11, 124–140, doi:10.3762/bjnano.11.11

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  • cancer genomes shows much lower hydrophobicity. The changes in solvation properties of DNA drastically affect the affinity towards metal nanoparticles. Based on these aspects, the authors have efficiently evaluated the affinity of genomic DNA towards metal nanoparticles depending on the methylation
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Published 09 Jan 2020

The different ways to chitosan/hyaluronic acid nanoparticles: templated vs direct complexation. Influence of particle preparation on morphology, cell uptake and silencing efficiency

  • Arianna Gennari,
  • Julio M. Rios de la Rosa,
  • Erwin Hohn,
  • Maria Pelliccia,
  • Enrique Lallana,
  • Roberto Donno,
  • Annalisa Tirella and
  • Nicola Tirelli

Beilstein J. Nanotechnol. 2019, 10, 2594–2608, doi:10.3762/bjnano.10.250

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  • object M and its Rg, The last two parameters are particularly important: A) ρ = 0.77 for a perfect sphere, ρ = 1.15–1.2 for random coils under θ-conditions and increasing with increasing solvation [30], i.e., it typically increases with decreasing compaction and statistical fluctuations. B) Dm expresses
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Published 30 Dec 2019

Review of advanced sensor devices employing nanoarchitectonics concepts

  • Katsuhiko Ariga,
  • Tatsuyuki Makita,
  • Masato Ito,
  • Taizo Mori,
  • Shun Watanabe and
  • Jun Takeya

Beilstein J. Nanotechnol. 2019, 10, 2014–2030, doi:10.3762/bjnano.10.198

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  • [149]. This kind of molecular recognition based on hydrogen bonding and/or electrostatic interaction is weakened in polar media such as water phase. Chemical species with uneven charge distribution within a molecule are stabilized by solvation with polar solvent molecules, which is highly
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Published 16 Oct 2019

Gold-coated plant virus as computed tomography imaging contrast agent

  • Alaa A. A. Aljabali,
  • Mazhar S. Al Zoubi,
  • Khalid M. Al-Batanyeh,
  • Ali Al-Radaideh,
  • Mohammad A. Obeid,
  • Abeer Al Sharabi,
  • Walhan Alshaer,
  • Bayan AbuFares,
  • Tasnim Al-Zanati,
  • Murtaza M. Tambuwala,
  • Naveed Akbar and
  • David J. Evans

Beilstein J. Nanotechnol. 2019, 10, 1983–1993, doi:10.3762/bjnano.10.195

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  • electrical double layer (solvation shell). Therefore, the size measured in DLS instruments appears to be slightly bigger than that measured by TEM [33]. Particles with PDI values below 0.1 are considered highly monodisperse [33]. Furthermore, to confirm the monodispersity of the particles the Cumulants fit
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Published 07 Oct 2019

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

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  • solution. The addition of appropriate organic solvents to the oligomerization system was found to result in well-grown nanoribbon networks. The organic solvents appeared to prevent irregular aggregation and subsequent precipitation of the nanosheets via solvation for further growth into the well-grown
  • oligomerization system in mixtures of an aqueous buffer solution and appropriate organic solvents was found to result in nanoribbon network structures for gel formation (Figure 1). It was suggested that the precipitation of the nanosheets was prevented effectively via solvation with the organic solvents through
  • nanosheet precursors was prevented effectively via solvation with the organic solvents mainly through hydrogen bonding from hydroxyl hydrogen on cellulose oligomers to the organic solvents, allowing further growth into higher-order structures (i.e., nanoribbon networks) in the bulk solution (Figure 10
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Published 26 Aug 2019

Scavenging of reactive oxygen species by phenolic compound-modified maghemite nanoparticles

  • Małgorzata Świętek,
  • Yi-Chin Lu,
  • Rafał Konefał,
  • Liliana P. Ferreira,
  • M. Margarida Cruz,
  • Yunn-Hwa Ma and
  • Daniel Horák

Beilstein J. Nanotechnol. 2019, 10, 1073–1088, doi:10.3762/bjnano.10.108

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  • (Dn) was 11 nm (Figure 2b). As expected, the hydrodynamic diameter of γ-Fe2O3 in water (Dh = 91 nm) was substantially larger than the Dn value of the dry particles, as it consists of both nanoparticle core and solvation layer (Table 3). Moreover, Dh represents the Z-average particle diameter, which is
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Published 20 May 2019

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

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  • higher than 80 °C, which reduces the solvation of the PEO chains and thus weakens the interaction between PEO and silica [44]. A similar effect was observed with the present PIC structure directing agent when performing a material synthesis at pH 6.5 at 80 °C for 24 hours: the mesopore diameter of the
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Published 11 Jan 2019

Nanocomposites comprised of homogeneously dispersed magnetic iron-oxide nanoparticles and poly(methyl methacrylate)

  • Sašo Gyergyek,
  • David Pahovnik,
  • Ema Žagar,
  • Alenka Mertelj,
  • Rok Kostanjšek,
  • Miloš Beković,
  • Marko Jagodič,
  • Heinrich Hofmann and
  • Darko Makovec

Beilstein J. Nanotechnol. 2018, 9, 1613–1622, doi:10.3762/bjnano.9.153

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  • electron microscopy investigation of the prepared nanocomposites revealed that the magnetic nanoparticles were homogeneously dispersed in the PMMA matrix, even in amounts up to 53 wt %. The uniform dispersion of the nanoparticles in the PMMA matrix was attributed to the good solvation of the grafted PMMA
  • from the TEM images were 11.0 ± 2.3 nm and 10 nm, respectively (Supporting Information File 1, Figure S6). Considering the fact that the suspension of NP-RA was colloidal, the relatively large hydrodynamic size is related to the exceedingly good solvation of the RA chains by toluene. The increase in
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Published 01 Jun 2018

Fabrication and photoactivity of ionic liquid–TiO2 structures for efficient visible-light-induced photocatalytic decomposition of organic pollutants in aqueous phase

  • Anna Gołąbiewska,
  • Marta Paszkiewicz-Gawron,
  • Aleksandra Sadzińska,
  • Wojciech Lisowski,
  • Ewelina Grabowska,
  • Adriana Zaleska-Medynska and
  • Justyna Łuczak

Beilstein J. Nanotechnol. 2018, 9, 580–590, doi:10.3762/bjnano.9.54

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  • - and microstructure preparation with novel properties [15]. Especially, their polarity and affinity towards particles and precursors, transport and surface properties seem to be crucial for formation of the protective layer at the particle surface, thus electrosteric, solvation and viscous
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Published 14 Feb 2018

Green synthesis of fluorescent carbon dots from spices for in vitro imaging and tumour cell growth inhibition

  • Nagamalai Vasimalai,
  • Vânia Vilas-Boas,
  • Juan Gallo,
  • María de Fátima Cerqueira,
  • Mario Menéndez-Miranda,
  • José Manuel Costa-Fernández,
  • Lorena Diéguez,
  • Begoña Espiña and
  • María Teresa Fernández-Argüelles

Beilstein J. Nanotechnol. 2018, 9, 530–544, doi:10.3762/bjnano.9.51

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  • depending on the surface structure, interactions with the environment can be very selective and reversible. Changes of the optical properties have been attributed to electron transfer from the C-dots to other species, and it has been suggested that the solvent plays an important role due to solvation
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Published 13 Feb 2018

Bi-layer sandwich film for antibacterial catheters

  • Gerhard Franz,
  • Florian Schamberger,
  • Hamideh Heidari Zare,
  • Sara Felicitas Bröskamp and
  • Dieter Jocham

Beilstein J. Nanotechnol. 2017, 8, 1982–2001, doi:10.3762/bjnano.8.199

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  • , which acts in a threefold way: It should encase the silver grains completely and should touch the organic substrate. Only by meeting the first requirement, no direct access of the medium to the silver depot is ensured, which could cause uncontrolled solvation of Ag+ ions. By fulfilling the second demand
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Published 22 Sep 2017

Spin-chemistry concepts for spintronics scientists

  • Konstantin L. Ivanov,
  • Alexander Wagenpfahl,
  • Carsten Deibel and
  • Jörg Matysik

Beilstein J. Nanotechnol. 2017, 8, 1427–1445, doi:10.3762/bjnano.8.143

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Published 11 Jul 2017

Calculating free energies of organic molecules on insulating substrates

  • Julian Gaberle,
  • David Z. Gao and
  • Alexander L. Shluger

Beilstein J. Nanotechnol. 2017, 8, 667–674, doi:10.3762/bjnano.8.71

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  • trajectories are finite and it is difficult to determine how long such simulations need to be. Attempts to compute free energies have been made for, i.e., proteins [32][33][34], ion solvation [35][36], small molecular clusters [37][38] and small molecules on surfaces [39][40][41]. While well-converged results
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Published 21 Mar 2017

Association of aescin with β- and γ-cyclodextrins studied by DFT calculations and spectroscopic methods

  • Ana I. Ramos,
  • Pedro D. Vaz,
  • Susana S. Braga and
  • Artur M. S. Silva

Beilstein J. Nanotechnol. 2017, 8, 348–357, doi:10.3762/bjnano.8.37

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  • calculations by creating different complex geometries that could represent the real complex. The geometries were optimised at the M06-2X/6-31g(d) level with tight convergence criteria, including dispersion energy corrections (D3) and in the presence of a solvation model to simulate the presence of water. It
  • should be mentioned that all atoms were optimised at the same level of theory, i.e., the ONIOM approach was not considered. Afterwards NMR chemical shifts were estimated at the more accurate M06-2X/6-311g(d,p) level with D3 correction and the solvation model, while using the GIAO algorithm. Furthermore
  • evaluate the effects of solvation, to account for the effects of water the IEFPCM model was used for the description of the solvent continuum. Furthermore, the ONIOM approach was not used with all atoms being optimised at the same level of theory. The initial geometries of the hosts and the guest were
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Published 03 Feb 2017

Single pyrimidine discrimination during voltage-driven translocation of osmylated oligodeoxynucleotides via the α-hemolysin nanopore

  • Yun Ding and
  • Anastassia Kanavarioti

Beilstein J. Nanotechnol. 2016, 7, 91–101, doi:10.3762/bjnano.7.11

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  • and the nucleobase. It is not clear whether or not those interactions are direct or indirect via the corresponding solvation shells. It is plausible that the presence of OsBp inside the constriction site provides a highly confined environment in which the modified nucleotide is forced to rearrange to
  • a less favored configuration as well as to a different solvation shell that “carries along” only what is critically important; all these changes are then detected as current modulation and slower dwell time. In an attempt to understand the source of the differences between dT(OsBp) and dC(OsBp) we
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Published 22 Jan 2016

A facile method for the preparation of bifunctional Mn:ZnS/ZnS/Fe3O4 magnetic and fluorescent nanocrystals

  • Houcine Labiadh,
  • Tahar Ben Chaabane,
  • Romain Sibille,
  • Lavinia Balan and
  • Raphaël Schneider

Beilstein J. Nanotechnol. 2015, 6, 1743–1751, doi:10.3762/bjnano.6.178

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  • TEM because of the solvation layer around the QDs in aqueous solution. The lowest dH value of 11 nm was obtained for the Mn:ZnS/ZnS QDs. The dH increased with the thickness of the magnetic shell (Table 1). The highest dH (39 nm) was observed for Mn:ZnS/ZnS/Fe3O4 (3) nanocrystals. The DLS measurements
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Published 17 Aug 2015

Multiscale modeling of lithium ion batteries: thermal aspects

  • Arnulf Latz and
  • Jochen Zausch

Beilstein J. Nanotechnol. 2015, 6, 987–1007, doi:10.3762/bjnano.6.102

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  • ) simulations once the force fields for the interaction between the molecules are known [14][15]. Information on interface properties can be obtained from MD simulations and from DFT simulations [15]. MD simulations are especially relevant to study the solvation properties of the ions [15][16][17], which are
  • important to understand contribution of solvation forces to the intercalation kinetics. The actual barriers for intercalation can be addressed by DFT simulations [18]. The change in mechanical properties upon intercalation is very important to understand degradation phenomena in batteries. Usually the
  • simulations the determination of Gibbs free energies, entropies and insertion properties (e.g., kinetic barriers, chemical potential of adsorbed species, solvation energies) are obtained. The relation of these quantities to the actual heat production has to be derived from systematic thermodynamic theories
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Published 20 Apr 2015
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