Hierarchically structured nanoporous carbon tubes for high pressure carbon dioxide adsorption

• Julia Patzsch,
• Deepu J. Babu and
• Jörg J. Schneider

Beilstein J. Nanotechnol. 2017, 8, 1135–1144, doi:10.3762/bjnano.8.115

• storage vessel as well as in the adsorption chamber. The setup was calibrated at 25 °C using high purity N2 (99.999%) and the density values were obtained from the NIST database. The calibration values were validated by measuring CO2 (99.998%) adsorption on a Norit R1 extra™ device at 25 °C following the

• was further subjected to an in situ activation process by overnight heating in vacuum at a temperature of 150 °C. CO2 adsorption measurements were carried out at 25 °C and CO2 density values, for a given pressure and temperature, were obtained from the NIST database. As the errors tend to accumulate

Triptycene-terminated thiolate and selenolate monolayers on Au(111)

• Jinxuan Liu,
• Martin Kind,
• Björn Schüpbach,
• Daniel Käfer,
• Stefanie Winkler,
• Wenhua Zhang,
• Andreas Terfort and
• Christof Wöll

Beilstein J. Nanotechnol. 2017, 8, 892–905, doi:10.3762/bjnano.8.91

• , experimentally found: 1452 cm−1). The triptycene spectrum was taken from the NIST database [60]. The calculated spectra were used to aid the assignment of the vibrational bands and to estimate the direction of the corresponding transition dipole moments (TDMs). XPS Note that due to the limitations of the

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

• taken from structures available in the Cambridge Structural Database (CSD) [35]. For β-CD, the coordinates were procured from the structure of inclusion complex β-cyclodextrin·S-(+)-ibuprofen chlathrate hydrate (refcode TUXKUS) [36]; for γ-CD data was taken from the inclusion complex γ

Nanoscale isoindigo-carriers: self-assembly and tunable properties

• Tatiana N. Pashirova,
• Andrei V. Bogdanov,
• Lenar I. Musin,
• Julia K. Voronina,
• Irek R. Nizameev,
• Marsil K. Kadirov,
• Vladimir F. Mironov,
• Lucia Ya. Zakharova,
• Shamil K. Latypov and
• Oleg G. Sinyashin

Beilstein J. Nanotechnol. 2017, 8, 313–324, doi:10.3762/bjnano.8.34

• pentagons based on the XRD data for isoindigo derivatives available in the Cambridge Structural Database. As seen in Figure S8 (Supporting Information File 1), the surface of the oxindole fragment of isoindigo derivatives, for which the crystal structure is currently known is in the range of 0.84–0.87 nm2

From iron coordination compounds to metal oxide nanoparticles

• Mihail Iacob,
• Carmen Racles,
• Codrin Tugui,
• George Stiubianu,
• Adrian Bele,
• Liviu Sacarescu,
• Daniel Timpu and
• Maria Cazacu

Beilstein J. Nanotechnol. 2016, 7, 2074–2087, doi:10.3762/bjnano.7.198

• present any peaks, indicating that both samples are amorphous, while the diffractogram of sample NPT2 (Supporting Information File 1, Figure S9) shows diffraction peaks, which coincide with those from the JCPDS 04-0755 database and are characteristic for maghemite (γ-Fe2O3). The morphology of the

• nm). Comparing the diffraction peaks identified in the WAXD patterns of NPC1–NPC3 samples (Supporting Information File 1, Figure S21) with those from the ICDD database for different oxides, it was determined that the peaks in the NPC1 and NPC3 spectra coincide with those of the well-established

Effect of nanostructured carbon coatings on the electrochemical performance of Li_1.4Ni_0.5Mn_0.5O_2+x-based cathode materials

• Konstantin A. Kurilenko,
• Oleg A. Shlyakhtin,
• Oleg A. Brylev,
• Dmitry I. Petukhov and
• Alexey V. Garshev

Beilstein J. Nanotechnol. 2016, 7, 1960–1970, doi:10.3762/bjnano.7.187

• diffractometer (Rigaku) in the reflection mode with Cu Kα radiation and a curved-graphite [2] monochromator placed in the reflected beam (2θ range 10–90°, step 0.02°, acquisition time 3 s per step).The analysis of diffraction patterns was performed by using WinXPow software and PDF-2 powder diffraction database

Nanostructured TiO₂-based gas sensors with enhanced sensitivity to reducing gases

• Wojciech Maziarz,
• Anna Kusior and
• Anita Trenczek-Zajac

Beilstein J. Nanotechnol. 2016, 7, 1718–1726, doi:10.3762/bjnano.7.164

• the PDF-2 database. Scanning electron microscopy (SEM) images of top- and side-view of the samples were obtained with a NOVA NANO SEM 200 (FEI) instrument. Gas sensitivity measurements For gas sensitivity measurements, a custom-made apparatus, presented in Figure 1, was used. The sensors were placed

Influence of synthesis conditions on microstructure and phase transformations of annealed Sr₂FeMoO_6−x nanopowders formed by the citrate–gel method

• Marta Yarmolich,
• Nikolai Kalanda,
• Sergey Demyanov,
• Herman Terryn,
• Jon Ustarroz,
• Maksim Silibin and
• Gennadii Gorokh

Beilstein J. Nanotechnol. 2016, 7, 1202–1207, doi:10.3762/bjnano.7.111

• collected with an angular step of 0.05° at 5 s per step. The XRD patterns were refined using the ICSD-PDF2 (Release 2000) database and the FULLPROF [19] and PowderCell [25] Rietveld refinement programs. The heat capacity of the nanopowders of SFMO-4, SFMO-6, and SFMO-9 were measured in the temperature range

High antiviral effect of TiO₂·PL–DNA nanocomposites targeted to conservative regions of (−)RNA and (+)RNA of influenza A virus in cell culture

• Asya S. Levina,
• Marina N. Repkova,
• Elena V. Bessudnova,
• Ekaterina I. Filippova,
• Natalia A. Mazurkova and
• Valentina F. Zarytova

Beilstein J. Nanotechnol. 2016, 7, 1166–1173, doi:10.3762/bjnano.7.108

• replication. To find the most conservative regions of segment 5, we analyzed nucleotide sequences of various subtypes of IAV available in the NCBI Influenza Virus Resource database (http://www.ncbi.nlm.nih.gov). We have chosen the four most conservative regions, i.e. the noncoding region located on the 3’-end

Manufacturing and investigation of physical properties of polyacrylonitrile nanofibre composites with SiO₂, TiO₂ and Bi₂O₃ nanoparticles

• Tomasz Tański,
• Wiktor Matysiak and
• Barbara Hajduk

Beilstein J. Nanotechnol. 2016, 7, 1141–1155, doi:10.3762/bjnano.7.106

• dedicated database of PAN-ICSD files was used. The resulting polymer composite nanofibres were quantitatively and qualitatively analysed using EDX microanalysis and surface topography imaging using a Zeiss Supra 35 SEM, with a Trident XM4 X-ray spectrometer supplied by EDAX. Based on the SEM micrographs

• line was observed, the so-called widening of the liquid, which indicates an amorphous crystal structure (Figure 2). The angular position of the diffraction line was, according to data contained in the ICDD JCPDS database, that of amorphous SiO2. Figure 3 shows TEM images of the studied nanopowders

Characterisation of thin films of graphene–surfactant composites produced through a novel semi-automated method

• Nik J. Walch,
• Alexei Nabok,
• Frank Davis and
• Séamus P. J. Higson

Beilstein J. Nanotechnol. 2016, 7, 209–219, doi:10.3762/bjnano.7.19

• oxide (SiO2) which is typically present on the surface of Si; (3) the deposited layer of PAH/graphene(−)SDS. The ambient was air. Optical parameters for Si and SiO2 were taken from the J. A. Woollam database. The fitting was first performed for ellipsometric spectra of the Si/SiO2 substrate. For the set

Single-molecule magnet behavior in 2,2’-bipyrimidine-bridged dilanthanide complexes

• Wen Yu,
• Frank Schramm,
• Eufemio Moreno Pineda,
• Yanhua Lan,
• Olaf Fuhr,
• Jinjie Chen,
• Hironari Isshiki,
• Wolfgang Wernsdorfer,
• Wulf Wulfhekel and
• Mario Ruben

Beilstein J. Nanotechnol. 2016, 7, 126–137, doi:10.3762/bjnano.7.15

• atoms. Full crystallographic details can be found in CIF format (see the Cambridge Crystallographic Data Centre database, 1427566, 1419831–1419834). These data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html (or from Cambridge Crystallographic Data Centre, 12 Union

Nanoinformatics for environmental health and biomedicine

• Rong Liu and
• Yoram Cohen

Beilstein J. Nanotechnol. 2015, 6, 2449–2451, doi:10.3762/bjnano.6.253

• implementing effective mechanisms for collecting, validating, storing, sharing, analyzing, modeling, and applying that information.” [1]. At present, nanoinformatics focuses primarily on: nano-data management and database development, nano-data curation, assessment of the value of information in nano-data

• nanomaterials. In one contribution, the latest version of caNanoLab is described along with a critical discussion of the challenges associated with database development for nanomaterials, as well as the needs for nano-data curation and sharing by the biomedical research community [4]. The latest development of

• the eNanoMapper database for nanomaterial safety information is summarized in another contribution [5], while a third contribution reports on the NanoE-Tox database that is concerned with the ecotoxicity of nanomaterials [6]. In addition, important improvements are reported for the Nanotechnology

Mapping bound plasmon propagation on a nanoscale stripe waveguide using quantum dots: influence of spacer layer thickness

• Chamanei S. Perera,
• Alison M. Funston,
• Han-Hao Cheng and
• Kristy C. Vernon

Beilstein J. Nanotechnol. 2015, 6, 2046–2051, doi:10.3762/bjnano.6.208

• waveguide was chosen to be 750 nm to visualise easily under an optical microscope. Silver stripe waveguides were designed to be excited using a 633 nm laser. Permittivities of the materials used in modelling were, Silver as −16.4 + 1.13i [12], ITO as 3.42 + 0.22i from Sopra database, glass 2.3, and SiO2 as

An ISA-TAB-Nano based data collection framework to support data-driven modelling of nanotoxicology

• Richard L. Marchese Robinson,
• Mark T. D. Cronin,
• Andrea-Nicole Richarz and
• Robert Rallo

Beilstein J. Nanotechnol. 2015, 6, 1978–1999, doi:10.3762/bjnano.6.202

• entry of data into (web-based) searchable databases may not be possible for domain experts (e.g., nanotoxicologists in experimental labs) with little or no informatics support. These researchers may not have their own, in-house database systems and data entry to a third party database at the point of

• files to tab-delimited text files to facilitate computational analysis and database submission. Since there is a growing interest in the use of ISA-TAB-Nano as a community standard for organising nanomaterial data, from a variety of individual researchers and organizations [3][28][29][30][31][32], it is

• compressed ZIP archive (see section 5). 5 NanoPUZZLES Python program to facilitate computational analysis and database submission Excel-based ISA-TAB-Nano templates are presented in this publication and elsewhere [17][23]. However, ISA-TAB-Nano files (Investigation, Study, Assay, Material) are commonly

Nanocuration workflows: Establishing best practices for identifying, inputting, and sharing data to inform decisions on nanomaterials

• Christina M. Powers,
• Karmann A. Mills,
• Stephanie A. Morris,
• Fred Klaessig,
• Sharon Gaheen,
• Nastassja Lewinski and
• Christine Ogilvie Hendren

Beilstein J. Nanotechnol. 2015, 6, 1860–1871, doi:10.3762/bjnano.6.189

• metadata, data completeness, database integration), while the focus of this article is on the nanocuration workflow, or the process of identifying, inputting, and reviewing nanomaterial data in a data repository. In particular, the article discusses: 1) the rationale and importance of a defined workflow in

• (temporal metadata, data completeness, database integration), while the specific focus of this article is on the nanocuration workflow, or the process of identifying, inputting, and reviewing nanomaterial data in a data repository (Figure 1). Discussion i. Importance and relevance of the workflow to

• generate a large number of products and applications. Continuing the current tendency for each organization to maintain its own database with local interpretations of acceptable test protocols and data interpretation will impede the pace of innovation when organizations repeat work already done, but not

Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries

• Luc Aymard,
• Yassine Oumellal and
• Jean-Pierre Bonnet

Beilstein J. Nanotechnol. 2015, 6, 1821–1839, doi:10.3762/bjnano.6.186

• the cell (Eeq) is: This calculation was applied for different binary and ternary hydrides used to represent the different intermetallic families. The HSC database [7] and literature data [8] were used to obtain the ΔfH, ΔfG and ΔfS values. I.2.1 Binary hydrides: Figure 2a shows the equilibrium

NanoE-Tox: New and in-depth database concerning ecotoxicity of nanomaterials

• Katre Juganson,
• Angela Ivask,
• Irina Blinova,
• Monika Mortimer and
• Anne Kahru

Beilstein J. Nanotechnol. 2015, 6, 1788–1804, doi:10.3762/bjnano.6.183

• database NanoE-Tox that is available as Supporting Information File 2. The database is based on existing literature on ecotoxicology of eight ENMs with different chemical composition: carbon nanotubes (CNTs), fullerenes, silver (Ag), titanium dioxide (TiO2), zinc oxide (ZnO), cerium dioxide (CeO2), copper

• oxide (CuO), and iron oxide (FeOx; Fe2O3, Fe3O4). Altogether, NanoE-Tox database consolidates data from 224 articles and lists altogether 1,518 toxicity values (EC50/LC50/NOEC) with corresponding test conditions and physico-chemical parameters of the ENMs as well as reported toxicity mechanisms and

• sensitive organism (data derived from three or more articles) the toxicity order was as follows: Ag > ZnO > CuO > CeO2 > CNTs > TiO2 > FeOx. We believe NanoE-Tox database contains valuable information for ENM environmental hazard estimation and development of models for predicting toxic potential of ENMs

Nanotechnology in the real world: Redeveloping the nanomaterial consumer products inventory

• Marina E. Vance,
• Todd Kuiken,
• Eric P. Vejerano,
• Sean P. McGinnis,
• Michael F. Hochella Jr.,
• David Rejeski and
• Matthew S. Hull

Beilstein J. Nanotechnol. 2015, 6, 1769–1780, doi:10.3762/bjnano.6.181

• environmental exposure data to complete life cycle assessments. There are inherent limitations to this type of database, but these modifications to the inventory addressed the majority of criticisms raised in published literature and in surveys of nanotechnology stakeholders and experts. The development of

• standardized methods and metrics for nanomaterial characterization and labelling in consumer products can lead to greater understanding between the key stakeholders in nanotechnology, especially consumers, researchers, regulators, and industry. Keywords: consumer products; database; inventory; nanoinformatics

• the CPI database [7]. Since the creation of the CPI, other nanotechnology-related inventories have been developed around the world. In 2006, a German company launched a freely accessible internet database of nanotechnology products [8]. The website associated with this database was not accessible at

The eNanoMapper database for nanomaterial safety information

• Nina Jeliazkova,
• Charalampos Chomenidis,
• Philip Doganis,
• Bengt Fadeel,
• Roland Grafström,
• Barry Hardy,
• Janna Hastings,
• Markus Hegi,
• Vedrin Jeliazkov,
• Nikolay Kochev,
• Pekka Kohonen,
• Cristian R. Munteanu,
• Haralambos Sarimveis,
• Bart Smeets,
• Pantelis Sopasakis,
• Georgia Tsiliki,
• David Vorgrimmler and
• Egon Willighagen

Beilstein J. Nanotechnol. 2015, 6, 1609–1634, doi:10.3762/bjnano.6.165

• originating from diverse systems. Within this cluster, eNanoMapper works towards supporting the collaborative safety assessment for ENMs by creating a modular and extensible infrastructure for data sharing, data analysis, and building computational toxicology models for ENMs. Results: The eNanoMapper database

• solution builds on the previous experience of the consortium partners in supporting diverse data through flexible data storage, open source components and web services. We have recently described the design of the eNanoMapper prototype database along with a summary of challenges in the representation of

• ENM data and an extensive review of existing nano-related data models, databases, and nanomaterials-related entries in chemical and toxicogenomic databases. This paper continues with a focus on the database functionality exposed through its application programming interface (API), and its use in

How decision analysis can further nanoinformatics

• Matthew E. Bates,
• Sabrina Larkin,
• Jeffrey M. Keisler and
• Igor Linkov

Beilstein J. Nanotechnol. 2015, 6, 1594–1600, doi:10.3762/bjnano.6.162

• Information Library (NIL) is a database from the National Institute for Occupational Safety and Health (NIOSH) that aggregates the physical characteristics of nanomaterials for industrial users, researchers, and health professionals to access and share [7]. The NanoHub offers a collaborative workspace for

Experiences in supporting the structured collection of cancer nanotechnology data using caNanoLab

• Stephanie A. Morris,
• Sharon Gaheen,
• Michal Lijowski,
• Mervi Heiskanen and
• Juli Klemm

Beilstein J. Nanotechnol. 2015, 6, 1580–1593, doi:10.3762/bjnano.6.161

• Laboratory (caNanoLab) data portal is an online nanomaterial database that allows users to submit and retrieve information on well-characterized nanomaterials, including composition, in vitro and in vivo experimental characterizations, experimental protocols, and related publications. Initiated in 2006

• review, comparison, and re-use, with the ultimate goal of accelerating the translation of nanotechnology-based cancer therapeutics, diagnostics, and imaging agents to the clinic. In this paper, we will discuss challenges associated with developing a nanomaterial database and recognized needs for

• -based database that allows users to submit and retrieve information on highly described nanomaterials used in biomedicine. We provide an overview of caNanoLab functionality and the release of caNanoLab 2.0, which contains new features and enhancements that address some of the barriers to data sharing

Influence of surface chemical properties on the toxicity of engineered zinc oxide nanoparticles to embryonic zebrafish

• Zitao Zhou,
• Jino Son,
• Bryan Harper,
• Zheng Zhou and
• Stacey Harper

Beilstein J. Nanotechnol. 2015, 6, 1568–1579, doi:10.3762/bjnano.6.160

• of data variance, PCA effectively reduced the dimensions of the dataset with keeping most information. It eliminated the correlation between different independent variables by creating different linear combinations which are independent of each other [40]. PCA was conducted on the database that

• individual NP exposure dataset is comprised of results from experiments conducted at 8 exposure concentrations, thus the final matrix of the database was comprised of 136 rows and 8 columns (17 materials × 8 concentrations × 8 surface chemical properties). The first two principle components (PCs), whose

Using natural language processing techniques to inform research on nanotechnology

• Nastassja A. Lewinski and
• Bridget T. McInnes

Beilstein J. Nanotechnol. 2015, 6, 1439–1449, doi:10.3762/bjnano.6.149

• database. Text extraction was conducted, with fuzzy logic used to cleanse the data. Fuzzy matching techniques were used to identify and combine similar entities. List Process, Matrix Process, Factor Analysis, Technology Group Clustering, and Concept Hierarchy were used in the framework to analyze the

• database. Multi-dimensional scaling was employed with a path erasing algorithm. The data presented focused on identifying leading countries, companies and inventors in the nanotechnology field. At the time of publication, the top three patenting institutions representing the top three patenting countries

Simulation tool for assessing the release and environmental distribution of nanomaterials

• Haoyang Haven Liu,
• Muhammad Bilal,
• Anastasiya Lazareva,
• Arturo Keller and
• Yoram Cohen

Beilstein J. Nanotechnol. 2015, 6, 938–951, doi:10.3762/bjnano.6.97

• interface for scenario design and results visualization, (2) MendNano, which is a fate and transport model for estimating environmental ENM concentrations, (3) lifecycle environmental assessment for release of nanomaterials (LearNano) model for estimating ENM release rates, (4) a parameter database, and (5

• ) a repository for building a library of scenarios and simulation cases. The RedNano graphical user interface (GUI) provides guidance for scenario design and parameter specification; the latter may be obtained from an integrated parameter database, input manually, or calculated by various submodels

• provided in standard numerical formats. Additionally, scenario input data as well as intermediary and final simulation results are stored in the scenario database. The RedNano integrated simulation tool was designed as a client–server web application using a standard web development environment (i.e., HTML