Multiscale modelling of biomolecular corona formation on metallic surfaces

• Parinaz Mosaddeghi Amini,
• Ian Rouse,
• Julia Subbotina and
• Vladimir Lobaskin

Beilstein J. Nanotechnol. 2024, 15, 215–229, doi:10.3762/bjnano.15.21

• count of AA residues. We estimated the concentration of each protein and lactose based on their weight fraction in milk and considering the fact that cow milk has 30–39 g/L of protein and 45–55 g/L of lactose in total. The molar mass of each protein was taken from AlphaFold database [44]. Following this

CdSe/ZnS quantum dots as a booster in the active layer of distributed ternary organic photovoltaics

• Gabriela Lewińska,
• Piotr Jeleń,
• Zofia Kucia,
• Maciej Sitarz,
• Łukasz Walczak,
• Bartłomiej Szafraniak,
• Jerzy Sanetra and
• Konstanty W. Marszalek

Beilstein J. Nanotechnol. 2024, 15, 144–156, doi:10.3762/bjnano.15.14

• QDs in ternary systems. Information about the materials taken from measurements was entered into the material database of GPVDM. A customized blend of P3HT:PC71BM was also used in the simulations. Simulations of current and voltage characteristics were performed (Figure 11). The change in performance

• the reference cells (6 and 6′ devices in Table 5). The fill factor for all devices with QDs remained essentially unchanged. The original reference cell efficiency obtained for materials from the program database was 4.63% (with PEDOT:PSS) and −5.24% without PEDOT:PSS. The open-circuit voltage varies

In situ optical sub-wavelength thickness control of porous anodic aluminum oxide

• Aleksandrs Dutovs,
• Raimonds Popļausks,
• Oskars Putāns,
• Vladislavs Perkanuks,
• Aušrinė Jurkevičiūtė,
• Tomas Tamulevičius,
• Uldis Malinovskis,
• Iryna Olyshevets,
• Donats Erts and
• Juris Prikulis

Beilstein J. Nanotechnol. 2024, 15, 126–133, doi:10.3762/bjnano.15.12

• − 0.76f for the visible band [4], where f is the porosity. In the present work, a RI value of 1.40 ± 0.01 at 600 nm was obtained for the porous layer in air using SE fitting, while the corresponding value for the barrier layer was 1.768 according to the SE software database for aluminum oxide. During

• in the built-in n,k database. The mixture was described as Bruggeman effective medium approximation [44]. The experimental spectra were smoothed by built-in spline smoothing tool prior to fitting. Variables changed during fitting were thicknesses of phases 1 and 2, and volume concentrations of

Assessing phytotoxicity and tolerance levels of ZnO nanoparticles on Raphanus sativus: implications for widespread adoptions

• Pathirannahalage Sahan Samuditha,
• Nadeesh Madusanka Adassooriya and
• Nazeera Salim

Beilstein J. Nanotechnol. 2024, 15, 115–125, doi:10.3762/bjnano.15.11

• wurtzite structure and is consistent with the Inorganic Crystal Structure Database card number (ICSD card No. 067454) for the pure ZnO phase with space group P63mc (Figure 1a). All the diffraction peaks at angles (2θ) of 31.77°, 34.43°, 36.26°, 47.55°, 56.61°, 62.89°, 66.39°, 67.98°, and 69.10° correspond

Isolation of cubic Si₃P₄ in the form of nanocrystals

• Polina K. Nikiforova,
• Sergei S. Bubenov,
• Vadim B. Platonov,
• Andrey S. Kumskov,
• Nikolay N. Kononov,
• Tatyana A. Kuznetsova and
• Sergey G. Dorofeev

Beilstein J. Nanotechnol. 2023, 14, 971–979, doi:10.3762/bjnano.14.80

• ), (220), and (311) reflections of a cubic lattice with a cell parameter of 5.04 Å. An ICDD database search uncovered a cubic sphalerite type SiP phase with a lattice constant of 5.241 Å; the substantial difference of the observed value confirms formation of a new substance [20]. According to DFT

Low temperature atomic layer deposition of cobalt using dicobalt hexacarbonyl-1-heptyne as precursor

• Mathias Franz,
• Mahnaz Safian Jouzdani,
• Lysann Kaßner,
• Marcus Daniel,
• Frank Stahr and
• Stefan E. Schulz

Beilstein J. Nanotechnol. 2023, 14, 951–963, doi:10.3762/bjnano.14.78

• of layer thickness while achieving better conformal coatings than any other deposition technique. The commonly used ALD database “Atomic Limits” [7] (based on the reviews of Puurunen [8], Miikkulainen et al. [9], Knoops et al. [10], and Mackus et al. [11]) currently lists 23 different ALD processes

A wearable nanoscale heart sound sensor based on P(VDF-TrFE)/ZnO/GR and its application in cardiac disease detection

• Yi Luo,
• Jian Liu,
• Jiachang Zhang,
• Yu Xiao,
• Ying Wu and
• Zhidong Zhao

Beilstein J. Nanotechnol. 2023, 14, 819–833, doi:10.3762/bjnano.14.67

• heart sounds, and saved in WAV format using the experimental self-built heart sound acquisition system. The heart sound data in the PhysioNet/Computing in Cardiology Challenge 2016 (PhysioNet/CinC Challenge 2016) database includes 2461 normal heart sounds and 665 abnormal heart sounds in WAV format. All

• normal heart sounds are labeled “−1”, and all abnormal heart sounds are labeled “1”. As the heart sound acquisition environment in the database is different, the collected heart sound signal may contain electromagnetic interference, lung sounds, and other noise. In the experiment, a 20 to 200 Hz band

• -pass filter and 50 Hz notch filter were generated using MATLAB's built-in “fdatool” tool, both of which use a third-order Butterworth filter. Since the amplitude of heart sound signals varies greatly due to the different devices used for collecting heart sound database data, the Z-Score function in

Cross-sectional Kelvin probe force microscopy on III–V epitaxial multilayer stacks: challenges and perspectives

• Mattia da Lisca,
• José Alvarez,
• James P. Connolly,
• Nicolas Vaissiere,
• Karim Mekhazni,
• Jean Decobert and
• Jean-Paul Kleider

Beilstein J. Nanotechnol. 2023, 14, 725–737, doi:10.3762/bjnano.14.59

• sample. The widths and doping concentrations of the layers were chosen as reported in Table 1, whereas the other physical parameters (e.g., energy gaps) are present in the Silvaco database [21]. Note that in order to simulate the InP:Zn region, we have specified just one Zn doping concentration of 1.5

Titania nanoparticles for photocatalytic degradation of ethanol under simulated solar light

• Evghenii Goncearenco,
• Iuliana P. Morjan,
• Claudiu Teodor Fleaca,
• Florian Dumitrache,
• Elena Dutu,
• Monica Scarisoreanu,
• Valentin Serban Teodorescu,
• Alexandra Sandulescu,
• Crina Anastasescu and
• Ioan Balint

Beilstein J. Nanotechnol. 2023, 14, 616–630, doi:10.3762/bjnano.14.51

• obtained powders are presented in Figure 1. The calcined TiO2 nanopowders show both anatase and rutile phases, corresponding to ICDD database powder diffraction files (PDFs) no. #04-002-2751 and #04-008-7850, respectively. The ratio between anatase and rutile phases has been calculated using the equations

Evaluation of electrosynthesized reduced graphene oxide–Ni/Fe/Co-based (oxy)hydroxide catalysts towards the oxygen evolution reaction

• Karolina Cysewska,
• Marcin Łapiński,
• Marcin Zając,
• Jakub Karczewski,
• Piotr Jasiński and
• Sebastian Molin

Beilstein J. Nanotechnol. 2023, 14, 420–433, doi:10.3762/bjnano.14.34

• pattern of the samples. The reflections of nickel hydroxide were detected at 2θ of around 10.8° and 22.5° (following the JCDS database (38–715)), for NiFe-GO, CoNiFe-GO, CoNiFe, and CoNiFe-GO, respectively, confirming a typical pattern of layered double hydroxides (LDHs) [34]. The analysis showed that the

Nanotechnology – a robust tool for fighting the challenges of drug resistance in non-small cell lung cancer

• Filip Gorachinov,
• Fatima Mraiche,
• Diala Alhaj Moustafa,
• Ola Hishari,
• Yomna Ismail,
• Jensa Joseph,
• Maja Simonoska Crcarevska,
• Marija Glavas Dodov,
• Nikola Geskovski and
• Katerina Goracinova

Beilstein J. Nanotechnol. 2023, 14, 240–261, doi:10.3762/bjnano.14.23

• in mortality. Also, it is the second most frequently diagnosed cancer (11.4% of the total cases), surpassed only by female breast cancer (11.7%) [1][2][3]. According to the WHO International Agency for Research on Cancer in 2020 (GLOBOCAN database), around 1.8 million new lung mortalities were

Liquid phase exfoliation of talc: effect of the medium on flake size and shape

• Samuel M. Sousa,
• Helane L. O. Morais,
• Joyce C. C. Santos,
• Ana Paula M. Barboza,
• Bernardo R. A. Neves,
• Elisângela S. Pinto and
• Mariana C. Prado

Beilstein J. Nanotechnol. 2023, 14, 68–78, doi:10.3762/bjnano.14.8

• talc, when compared with the crystallographic database, and many are labeled. The insert shows the structure and chemical formula of talc [23]. Figure 1b shows the mineral that was milled to a fine powder. The powder was mixed with the exfoliation medium and subjected to mechanical energy provided by

Two-step single-reactor synthesis of oleic acid- or undecylenic acid-stabilized magnetic nanoparticles by thermal decomposition

• Mykhailo Nahorniak,
• Pamela Pasetto,
• Jean-Marc Greneche,
• Volodymyr Samaryk,
• Sandy Auguste,
• Anthony Rousseau,
• Nataliya Nosova and
• Serhii Varvarenko

Beilstein J. Nanotechnol. 2023, 14, 11–22, doi:10.3762/bjnano.14.2

• refinement. The collected XRD patterns were compared with the standard of maghemite and magnetite available in the International Centre for Diffraction Database (ICDD). Specific structural and magnetic properties of the synthesized NPM were studied using 57Fe Mössbauer spectroscopy at 77 K. The samples were

In search of cytotoxic selectivity on cancer cells with biogenically synthesized Ag/AgCl nanoparticles

• Mitzi J. Ramírez-Hernández,
• Mario Valera-Zaragoza,
• Omar Viñas-Bravo,
• Ariana A. Huerta-Heredia,
• Miguel A. Peña-Rico,
• Erick A. Juarez-Arellano,
• David Paniagua-Vega,
• Eduardo Ramírez-Vargas and
• Saúl Sánchez-Valdes

Beilstein J. Nanotechnol. 2022, 13, 1505–1519, doi:10.3762/bjnano.13.124

• letter number 56540 (Inorganic Crystal Structure Database, ICSD). This pattern corresponds to the crystallographic planes (111), (200), (220), (311), and (222) of the NaCl-type face-centered cubic crystal structure. According to the results, the pineapple peel extract (PPeel extract) is amorphous (i.e

Frequency-dependent nanomechanical profiling for medical diagnosis

• Santiago D. Solares and
• Alexander X. Cartagena-Rivera

Beilstein J. Nanotechnol. 2022, 13, 1483–1489, doi:10.3762/bjnano.13.122

• enable the generation of a database with rigorous nanomechanical measurements in a variety of healthy and diseased tissues, either classified by demographics and biometric factors, or according to disease progress for a specific patient. Figure 1 exemplifies an overall strategy for integrating AFM-based

• nanomechanical measurements into medical diagnosis, which includes specialized in vivo sensing, computer analysis (AFM force spectroscopy analysis), communication with the healthcare provider, and mining of the aggregate community database. Given the mechanical nature of AFM, the above strategy naturally fits

• evaluate when and where there is value added when introducing the desired method, and such evaluation should be based on quantifiable indicators. Fifth, if a clear benefit is identified, the team could proceed to a pilot evaluation stage at the clinical or hospital level, where a database of patient

Structural studies and selected physical investigations of LiCoO₂ obtained by combustion synthesis

• Monika Michalska,
• Paweł Ławniczak,
• Tomasz Strachowski,
• Adam Ostrowski and
• Waldemar Bednarski

Beilstein J. Nanotechnol. 2022, 13, 1473–1482, doi:10.3762/bjnano.13.121

• values (a0 = 2.81498 Å, c0 = 14.0493 Å, V0 = 96.41 Å3) of the ICDD PDF card. All the lattice constants are similar to “ideal” patterns (in the PDF4+2021 ICDD database, the lattice constants for a fixed stoichiometric dispersion pattern are a = 2.792–2.856 Å, c = 14.033–14.289 Å) and are within the range

Rapid and sensitive detection of box turtles using an electrochemical DNA biosensor based on a gold/graphene nanocomposite

• Abu Hashem,
• M. A. Motalib Hossain,
• Ab Rahman Marlinda,
• Mohammad Al Mamun,
• Khanom Simarani and
• Mohd Rafie Johan

Beilstein J. Nanotechnol. 2022, 13, 1458–1472, doi:10.3762/bjnano.13.120

• NCBI database (https://www.ncbi.nlm.nih.gov/) and aligned using the MEGA5.2 [73] sequence alignment software followed by ClustalW [74] to find intraspecies conserved and interspecies hypervariable regions. The specific DNA sequence of BT was selected as a probe by comparing the BT cytb gene sequence

• sequences in the online database. The designed probe was modified with a thiol modifier to facilitate covalent attachment with AuNPs on the modified electrode surface, and a six-carbon spacer arm was added to facilitate extrusion from the electrode surface. The designed DNA sequences were synthesised from

Straight roads into nowhere – obvious and not-so-obvious biological models for ferrophobic surfaces

• Wilfried Konrad,
• Christoph Neinhuis and
• Anita Roth-Nebelsick

Beilstein J. Nanotechnol. 2022, 13, 1345–1360, doi:10.3762/bjnano.13.111

• -down strategy. They were included into various information resources on functional biological models, such as the popular and widely used “Ask nature” database (Biomimicry Institute, 2020. AskNature – Innovation Inspired by Nature. https://asknature.org/, [6]). In other words, once their functional

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

• peptides to neutralize the infective mechanism of SARS-CoV-2 through the RBD is an interesting strategy. The binding ability of 104 peptides (University of Nebraska Medical Center’s Antimicrobial Peptide Database) to the RBD was assessed using molecular docking. Based on the molecular docking results

• was used to perform molecular docking of 104 biological peptides, selected from the University of Nebraska Medical Center’s Antimicrobial Peptide Database (APD) [22][23][24], and theoretical peptides with the region of the SARS-CoV-2 RBD that binds to the cellular receptor ACE2 (called the RBD active

• Database [22][23][24]. The peptides were selected based on their previously reported antiviral activity in order to perform a massive docking experiment. PDB files were gathered for those peptides that possess a reported three-dimensional structure and a 3D structure was predicted through I-TASSER’s and

Interfacial nanoarchitectonics for ZIF-8 membranes with enhanced gas separation

• Season S. Chen,
• Zhen-Jie Yang,
• Chia-Hao Chang,
• Hoong-Uei Koh,
• Sameerah I. Al-Saeedi,
• Kuo-Lun Tung and
• Kevin C.-W. Wu

Beilstein J. Nanotechnol. 2022, 13, 313–324, doi:10.3762/bjnano.13.26

• synthesis method. Figure 1a shows that the XRD patterns of the as-synthesized free-standing ZIF-8 thin film was identical to that of a ZIF-8 crystal simulated with data from Crystallography Open Database (Mercury, version 3.6), indicating the success of the synthesis of ZIF-8 crystals by interfacial

Chemical vapor deposition of germanium-rich CrGe_x nanowires

• Vladislav Dřínek,
• Stanislav Tiagulskyi,
• Roman Yatskiv,
• Jan Grym,
• Radek Fajgar,
• Věra Jandová,
• Martin Koštejn and
• Jaroslav Kupčík

Beilstein J. Nanotechnol. 2021, 12, 1365–1371, doi:10.3762/bjnano.12.100

• with the database PDF (00-004-0545) for cubic germanium (d111 = 0.3266 nm). The atomic elemental ratio [Cr]/[Ge] in the coating was in the range of 1:(6–7) (Supporting Information File 1, Figure S8). XP spectra showed the presence of Ge, Cr, and O. In order to reduce surface contamination and oxidized

Biocompatibility and cytotoxicity in vitro of surface-functionalized drug-loaded spinel ferrite nanoparticles

• Sadaf Mushtaq,
• Khuram Shahzad,
• Tariq Saeed,
• Anwar Ul-Hamid,
• Bilal Haider Abbasi,
• Nafees Ahmad,
• Waqas Khalid,
• Muhammad Atif,
• Zulqurnain Ali and
• Rashda Abbasi

Beilstein J. Nanotechnol. 2021, 12, 1339–1364, doi:10.3762/bjnano.12.99

• of 0.47, 0.25, 0.24, and 0.20 nm for FeO, CFO, NFO and ZFO, respectively, corresponding to (111), (311), (311), and (400), respectively. These planes are well-matched with the interplanar distance of the diffraction pattern standards obtained from their standard JCPDS database. Weight and atomic % of

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

• […] with the convenience of cell culture” [25] and that “zebrafish exhibit remarkable similarity to other high-order vertebrates including humans” [23]. Hence, the Nanomaterial Biological Interactions (NBI) Knowledgebase [26], a publicly available database of ENM embryonic zebrafish test results for

• various lethal and sub-lethal biological endpoints, determined at a range of test concentrations, is a valuable resource for developing human safety relevant nano-QSAR models. Importantly, all biological data from this database were obtained in the same laboratory (Harper Laboratory, Oregon State

pH-driven enhancement of anti-tubercular drug loading on iron oxide nanoparticles for drug delivery in macrophages

• Karishma Berta Cotta,
• Sarika Mehra and
• Rajdip Bandyopadhyaya

Beilstein J. Nanotechnol. 2021, 12, 1127–1139, doi:10.3762/bjnano.12.84

• distribution of these particles was also high, i.e., FWHM of 670.94 nm, resulting from the variation in particle aggregate sizes. The XRD pattern obtained for the synthesized particles were in accordance with the pattern observed in the XRD database for iron oxide (COD: 9013529) [32] (Figure 2c). The zeta

Fate and transformation of silver nanoparticles in different biological conditions

• Barbara Pem,
• Marija Ćurlin,
• Darija Domazet Jurašin,
• Valerije Vrček,
• Rinea Barbir,
• Vedran Micek,
• Raluca M. Fratila,
• Jesus M. de la Fuente and
• Ivana Vinković Vrček

Beilstein J. Nanotechnol. 2021, 12, 665–679, doi:10.3762/bjnano.12.53

• ) were dispersed in ultrapure water (UPW) and examined by TEM to confirm their original morphology. These coating agents were selected according to their relevance in biomedicine, as they are the most frequently used stabilization agents for AgNPs according to the Web of Science database [41]. Moreover

• three. The proton at position six overlapped with the solvent signal and thus is not shown. The peaks were assigned according to AIST Spectral Database for Organic Compounds [55]. Then, a 5 mM solution of AgNO3 was added and the mixture was left to react for 2 h. During that time, the solution became