Development and Implementation of a Sustainable Modelling Platform for NanoInformatics
This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement 814426 NanoinformaTIX
nanoinformatix
NPO_354 CHEBI_51050 ENM_9000006 NPO_1373 NPO_1544 NPO_1892 NPO_1542 NPO_401nanoreg
NPO_1373 CHEBI_51050 NPO_1892 NPO_1542 NPO_354 ENM_9000006 CHEBI_133349 CHEBI_133326 CHEBI_59999 CHEBI_18246 NPO_606 NPO_157 NPO_943 CHEBI_3311 NPO_1550 CHEBI:18246 CHEBI_51135 CHEBI_133333 CHEBI_133337 CHEBI_133340 CHEBI_33418 NPO_401 ENM_9000007nanoreg2
CHEBI_51050 NPO_1373 NPO_1542 NPO_354 NPO_1892 CHEBI_133326 ENM_9000006 ENM_9000005 NPO_199nanotest
NPO_1548 CHEBI_51050 NPO_1373 NPO_1559enpra
CHEBI_51050 NPO_354 NPO_1542 NPO_1892 CHEBI_59999marina
CHEBI_51050 NPO_1373 NPO_354 NPO_1542 NPO_1892 CHEBI_16412 CHEBI_59999 CHEBI_133326nanogenotox
NPO_354 CHEBI_59999 CHEBI_51050 NPO_1373 NPO_1542sanowork
CHEBI_51050 NPO_1892 ENM_9000241 NPO_606 NPO_1373 CHEBI_46666 CHEBI_82297calibrate
NPO_1373 NPO_1544 CHEBI_59999 CHEBI_51050 NPO_1892 CHEBI_82297cananolab
nanoinformatix
CBMN HPRT DTT consumption assay Temperature Programmed Surface Reaction (TPSR) Barrier crossing and ICP-MS Buckingham potentials + Wolf summation Nearest neighbour search with cut-off value Calculated values of Hamaker from Butt HJ, Kappl M. Surface and interfacial forces. Weinheim: Wiley-VCH; 2010 anatase at 25 °C, titration. From Ridleay et al., Langmuir, Vol. 22, No. 26, 2006 Docking and MD Simulations (Patchdock and NAMD) c1+c2, c1 and c2 principle curvatures PackMem, during the last 100ns PBE+U DFTB Classical MD, (a) software: GROMACS 2016 Force Field Matsui et al. Umbrella Sampling GROMACS built-in routine SASA Classical MD, software: DL_POLY 4.09+Plumed Force Field Matsui et al. Umbrella Sampling software: AMS, ReaxFF Kim et al., neutral pH, in water, 310 K after annealing up to 1600K 3 FOLD O SUBSURFACE 2 FOLD O BULK EXP BULK PBE DFTB/DFT(B3LYP) VALUE (DFT(B3LYP)) Nitrogen adsorption isotherm Faure et al., Sci. Technol. Adv. Mater., 2013, 14:023001 Z.Zhang et al., Scientific Reports, 2016, 6:34135 Calculated values in water of Hamaker from Butt HJ, Kappl M. Surface and interfacial forces. Weinheim: Wiley-VCH; 2010 Comprehensive Biomaterials II, Elsevier 2017 Docking and MD Simulations (Patchdock and NAMD) software: AMS, ReaxFF, neutral pH, in water, 310 K after annealing up to 1600K Y. Han et al., Water Research 90 (2016) 247e257 from Ellipsometry measurement (T–W) method in water titration Embedded-atom method potentialsnanoreg
MTS CELL VIABILITY ASSAY Impedance adherent cells ALAMAR BLUE Impedance flow cytometry NRU Spectrophotometric Method viability COMET RT-PCR MICRONUCLEUS ASSAY COMET FPG CBMN assay Manual scoring LUCIFER YELLOW Intestinal barrier integrity intestinal barrier integrity SEM-EDX TEM ELISA Annexin V_PI (FACS) Griess Reagent LUMINEX® Reaction Oxygen Species Detection DLS Batch Dispersion Quality supplier WAXS VSSA SUPPLIER TGA Filtration ICP-MS DAPI Hoechst 33342 CELL COUNTER Nuclear Intensity Nuclear area CFE Mitochondrial Membrane Potential dye Lysosomal dye Ki-67 apoptosis cell cycle cleaved caspase-3 Genotoxicity ATM phospho S1981 H2AX phospho S139 p53 phospho s15 Annexin V (Apoptosis) / PI (Necrosis) Nanoparticle tracking Analysis SEM SOP-Toxicity Test with Daphnia magna (without NOM) Weighing Optical Microscope FACS analysis Colorimetric assay Keylab cell counter CCK8 assay Pig-A gene Swiss roll HE-Pycnometer in vitro oral mucosa 3D model Confocal microscopy TEM/STEM SAXS OECD TG487 MTT assay ELISA MULTIPLEX method barrier test May grunwald giemsa coloration of BAL cells cytospin biochemistry automate ICP-MS automatic count WAXD sp_ICP-MS Aerosol Characterisation XRD Dustiness JRCNM01001a ISO 10872:2010 Water QualityDetermination of the toxic effects of sediment and soil samples on growth, fertility and reproduction of Caenorhabditis elegans OECD TG 202 Acute Toxicity OECD TG 201 ATR-FTIR HAADF-STEM CHN-analysis commercial kits manual count ICP-OES Potentiometry PSEUDOKIRCHNERIELLA SUBCAPITATA CLS Colimetry Propidium iodide Manual count /100 cells vibrofluidization Vortex Shaker LDH DCFH2-DA EDX TRYPAN BLUE PrestoBlue protocol A13261nanoreg2
COMET ALAMAR BLUE Impedance adherent cells CFE Dot-blot Nanoparticle Tracking Analysis DLS NTA Isothermal Titration Calorimetry (ITC) ZETA POTENTIAL CFDA-AM NRU OECD TG 202 OECD TG 201 EXPOSURE MTS CELL VIABILITY ASSAY Oxiblot® kit, Mercknanotest
radioactive tag labelling Expression of adhesion molecules flow cytometry DHE DCFH2-DA MTT Assay WST-1 LDH Propidium Iodide uptake IL6, TNF, etc By ELISA immunostaining COMET Cytokinesis Block Micronucleus Cytome (CBMN Cyt) NanoTest FeCell IC Chemical composition of particles HPLC-MS TEM SAD SAED DHE (Dihydroethidium) and Hoechst 33342 ICP-OES fluorescent rhodamine-labeledenpra
WST-1 LDH ALAMAR BLUE COMET Electron Paramagnetic Resonance (EPR) Fibroblast proliferationmarina
TEER NRU Resazurin LDH CFE Embryonic Stem Cell Test WST-1 ELISA Internalization of latex beads by cells, macrophage activity, inflammation Prothrombotic effects upon systemic administration Differential Centrifugal Sedimentation (DCS) SEM X-ray Photoelectron Spectroscopy (XPS) Electron Paramagnetic Resonance (EPR) TGA ALAMAR BLUE CFDA-AM OECD TG 202 OECD TG 225 OECD TG 217 Plant root length elongation Genotoxicity MICRONUCLEUS ASSAY ICP-MS ICP-OES DLS XRD Porosity OECD TG 210 OECD TG 201 systemic administrationnanogenotox
MICRONUCLEUS ASSAY COMET MLA-TK COMET FPG RICC TCC (Coulter counter) TRYPAN BLUE NRU XTT ICP-OES TEM SAXS TGA autopsy analysis blood kinetics analysis EDS DLS BET animal info Flow cytometry with PI staining XRDsanowork
MTT Assay ALAMAR BLUE Calcein-Ethidium LDH CFE Cytokinesis Block Micronucleus Cytome (CBMN Cyt) DAN fluorimetric assay ELISA COMET CTA DCFH2-DA GSH MDA Electron Paramagnetic Resonance (EPR) Haemolysis assay TEM/SEM DLS Z-Potential in HAM'S-F12 Z-Potential in Water electroacoustic analysis on naturally concentrated samples Raman Spectroscopy UV TEER X-ray Photoelectron Spectroscopy (XPS) Infrared spectroscopy BET Z-Potential in DMEMcalibrate
CellTiter-Glo (CTG) Automated hematology analyzer Short term oral toxicity Wright-Giemsa modified staining & optical microscopy Plasma (Heparin) Jejunum BAL cell celularity Histopathology COMET MICRONUCLEUS ASSAY AO Fluorescence Hyperspectral image analysis Quantitative PCR EPI-200-SIT OCL-200-EIT TEM DLS Supplier Life-history zFET Acridine Orange (AO) n.a.cananolab
nanoinformatix
16HBE14o- 16HBE14o-, dTHP-1 TK6 mTSCnanoreg
CACO-2 THP-1 A549 BEAS-2B 3T3 HepG2 GF SaOs CAKI-1 CALU-3 Hep3B U937 RAW 264.7 TK6 NHBE Peritoneal primary macrophages PERIPHERAL BLOOD - LEUKOCYTES BONE MARROW CELLS Liver cells SPLEEN CELLS Epithelial cells from colon Epithelial cells from duodenum Kidney cells OVARY CELLS Testicular cells epididymis-spermatozoa MLN PERIPHERAL BLOOD A549:THP1 brain cell V79 Lung cells BAL HMDMnanoreg2
CACO-2 A549 CALU-3 Caki-1 Hep3B NRK-52e carp leukocyte cell linenanotest
Lymphocytes leukocytes BALB/3T3 16HBE14o- A549 EC219 HCEC MDCK LLC-PK BeWo b30 Hepatocytes LN229 N11 ECp23 Kupffer cells K562 TK6enpra
LA-4 MH-S A549 HK-2 HepG2 mouse primary lung fibroblasts 16HBE human umbilical vein endothelial cells (huvec) 16HBE14o- J774 mouse primary lung fibroblasts, 3T3 and HFL-1marina
CACO-2 MH-S RAW 264.7 CALU-3 HMDM NIH3T3 mES TM3 Leydig cells ESnanogenotox
CACO-2 BEAS-2B human lymphocytes A549 16HBE L5178Y LH NHEK 16HBE14o- EFTsanowork
A549 BALB/3T3 RAW 264.7 cell-free sheep erythrocytes CALU-3calibrate
BEAS-2B Platelets Red blood cells Hemoglobin White blood cells Granulocytes Lymphocytes Monocytes Polymorphonuclear basophils Polymorphonuclear eosinophils Polymorphonuclear neutrophils BAL cells BAL fluid cells Liver tissue Lung tissuecananolab