List of works by Tomasz Puzyn

A New Metric for Long-Range Transport Potential of Chemicals

scientific article published on 10 March 2014

A chemoinformatics approach for the characterization of hybrid nanomaterials: safer and efficient design perspective

scientific article published on 01 June 2019

A quantitative structure-biodegradation relationship (QSBR) approach to predict biodegradation rates of aromatic chemicals

scientific article published on 28 March 2019

A strategy towards the generation of testable adverse outcome pathways for nanomaterials

scientific article

AOP173 key event associated pathway predictor – online application for the prediction of benchmark dose lower bound (BMDLs) of a transcriptomic pathway involved in MWCNTs-induced lung fibrosis

scientific article published in 2022

Addressing a bottle neck for regulation of nanomaterials: quantitative read-across (Nano-QRA) algorithm for cases when only limited data is available

article published in 2017

Advancing risk assessment of engineered nanomaterials: application of computational approaches

scientific article published on June 2012

Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives

scientific article published on 29 August 2016

Application and comparison of different chemometric approaches in QSPR modelling of supercooled liquid vapour pressures for chloronaphthalenes.

scientific article published in May 2007

Application of two-way hierarchical cluster analysis for the identification of similarities between the individual lipid fractions of Lucilia sericata

scientific article

Assessing therapeutic relevance of biologically interesting, ampholytic substances based on their physicochemical and spectral characteristics with chemometric tools

Calculation of quantum-mechanical descriptors for QSPR at the DFT level: is it necessary?

scientific article

Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models

article

Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models

scientific article

Characterization and influence of hydroxyapatite nanopowders on living cells

scientific article published on 27 December 2018

Chemoinformatic Approach to Assess Toxicity of Ionic Liquids

scientific article published in 2018

Chemometric analysis of correlations between electronic absorption characteristics and structural and/or physicochemical parameters for ampholytic substances of biological and pharmaceutical relevance

scientific article published on 9 December 2014

Chemometric approach to correlations between retention parameters of non-polar HPLC columns and physicochemical characteristics for ampholytic substances of biological and pharmaceutical relevance

scientific article published on 17 July 2018

Chlorinated cyclodiene pesticide residues in blue mussel, crab, and fish in the Gulf of Gdańsk, Baltic Sea.

scientific article published in November 2001

Combinatorial × computational × cheminformatics (C3) approach to characterization of congeneric libraries of organic pollutants

scientific article

Combined Experimental and Computational Approach to Develop Efficient Photocatalysts Based on RE-TiO2 Nanoparticles

Combined experimental and computational approach to developing efficient photocatalysts based on Au/Pd–TiO2 nanoparticles

Comment on “Filling environmental data gaps with QSPR for ionic liquids: Modeling n -octanol/water coefficient”

CompNanoTox2015: novel perspectives from a European conference on computational nanotoxicology on predictive nanotoxicology

scientific article published on 8 September 2017

Compilation of Data and Modelling of Nanoparticle Interactions and Toxicity in the NanoPUZZLES Project

scientific article

Computational Techniques Application in Environmental Exposure Assessment

Computational estimation of logarithm of n-octanol/air partition coefficient and subcooled vapor pressures of 75 chloronaphthalene congeners

article published in 2005

Computational prediction of 7-ethoxyresorufin-O-diethylase (EROD) and luciferase (luc) inducing potency for 75 congeners of chloronaphthalene

scientific article

ConGENER – A Tool for Modeling of the Congeneric Sets of Environmental Pollutants

article

Concentrations and fluxes of chloronaphthalenes in sediment from Lake Kitaura in Japan in past 15 centuries

scientific article published in January 2004

Concentrations of Mercury in Wild Growing Higher Fungi and underlying Substrate near Lake Wdzydze, Poland

Decision tree models to classify nanomaterials according to the DF4nanoGrouping scheme

scientific article published on 18 December 2017

Development of a novel in silico model of zeta potential for metal oxide nanoparticles: a nano-QSPR approach.

scientific article published on 26 September 2016

Dioxin-like compounds in pine needles around Tokyo Bay, Japan in 1999.

scientific article published on 26 February 2004

Direct QSPR: the most efficient way of predicting organic carbon/water partition coefficient (log K OC) for polyhalogenated POPs

article

Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling

scholarly article by Celina Sikorska et al published March 2016 in Chemometrics and Intelligent Laboratory Systems

Enhanced photocatalytic properties of lanthanide-TiO 2 nanotubes: An experimental and theoretical study

scholarly article by Paweł Mazierski et al published May 2017 in Applied Catalysis B: Environmental

Estimating persistence of brominated and chlorinated organic pollutants in air, water, soil, and sediments with the QSPR-based classification scheme

article

Evaluating the toxicity of TiO2-based nanoparticles to Chinese hamster ovary cells and Escherichia coli: a complementary experimental and computational approach

scientific article

Evaluation criteria for the quality of published experimental data on nanomaterials and their usefulness for QSAR modelling

scientific article

Experimental and computational study of Tm-doped TiO2: The effect of Li+ on Vis-response photocatalysis and luminescence

scientific article published in September 2019

Extrapolating between toxicity endpoints of metal oxide nanoparticles: Predicting toxicity to Escherichia coli and human keratinocyte cell line (HaCaT) with Nano-QTTR.

scientific article published on 11 January 2016

Filling environmental data gaps with QSPR for ionic liquids: Modeling n-octanol/water coefficient

scientific article

From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.

scientific article

Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids

scientific article published on February 2016

Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS

Global versus local QSAR models for predicting ionic liquids toxicity against IPC-81 leukemia rat cell line: The predictive ability

article

Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy

article

How do the partitioning properties of polyhalogenated POPs change when chlorine is replaced with bromine?

scientific article published in July 2008

How should the completeness and quality of curated nanomaterial data be evaluated?

journal article published in 2016

How the configurational changes influence on molecular characteristics. The alkyl 3-azido-2,3-dideoxy-D-hexopyranosides - Theoretical approach

scientific article published on 20 June 2019

How the structure of ionic liquid affects its toxicity to Vibrio fischeri?

scientific article published on 10 June 2016

How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach.

scientific article published on 23 November 2017

How the “Liquid Drop” Approach Could Be Efficiently Applied for Quantitative Structure–Property Relationship Modeling of Nanofluids

article

How thermal stability of ionic liquids leads to more efficient TiO2-based nanophotocatalysts: Theoretical and experimental studies

scientific article published on 25 March 2020

ILPC: simple chemometric tool supporting the design of ionic liquids

scientific article (publication date: 2016)

Identifying natural compounds as multi-target-directed ligands against Alzheimer's disease: an in silico approach.

scientific article

Inflow of polonium, uranium and plutonium radionuclides in Odra River catchment area assessment by environmetric expertise

scholarly article by Bogdan Skwarzec et al published 4 October 2011 in Journal of Radioanalytical and Nuclear Chemistry

Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models

article

Mercury content and its bioconcentration factors in wild mushrooms at Łukta and Morag, northeastern Poland

scientific article published on 23 April 2003

Metabolomic Biomarkers in Urine of Cushing's Syndrome Patients

scientific article published on 29 January 2017

Metal Oxide Nanoparticles: Size-Dependence of Quantum-Mechanical Properties

article

Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C60 fullerene using Nano-QSPR.

scientific article

Modeling the overall persistence and environmental mobility of sulfur-containing polychlorinated organic compounds

scientific article published in February 2010

Molecular features of thymidine analogues governing the activity of human thymidine kinase

Multi-Objective Genetic Algorithm (MOGA) As a Feature Selecting Strategy in the Development of Ionic Liquids’ Quantitative Toxicity–Toxicity Relationship Models

scientific article published on 14 December 2018

Multivariate analysis of the bioaccumulation of polychlorinated biphenyls (PCBs) in the marine pelagic food web from the southern part of the Baltic Sea, Poland

scientific article

Nano(Q)SAR: Challenges, pitfalls and perspectives ⬇️

scientific article published on 11 September 2014

Nano-QSAR modeling for ecosafe design of heterogeneous TiO2-based nano-photocatalysts

scholarly article by Alicja Mikołajczyk et al published 2018 in Environmental science. Nano

Nano-quantitative structure–activity relationship modeling using easily computable and interpretable descriptors for uptake of magnetofluorescent engineered nanoparticles in pancreatic cancer cells

article

Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli

scientific article

Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across

scientific article published on 4 December 2014

Octanol/water partition coefficients of chloronaphthalenes

scientific article published in January 2005

On enumeration of congeners of common persistent organic pollutants

scientific article published on 17 June 2010

On the replacement of empirical parameters in multimedia mass balance models with QSPR data

scientific article

Optimal descriptor as a translator of eclectic information into the prediction of membrane damage: the case of a group of ZnO and TiO2 nanoparticles.

scientific article published in August 2014

Optimal descriptor as a translator of eclectic information into the prediction of thermal conductivity of micro-electro-mechanical systems

article by Alla P. Toropova et al published 20 June 2013 in Journal of Mathematical Chemistry

Periodic table-based descriptors to encode cytotoxicity profile of metal oxide nanoparticles: a mechanistic QSTR approach

scientific article

Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology

scientific article published on 21 September 2017

Photocatalytic Activity of Er-TiO2 Nanocomposite

Polychlorinated biphenyls (PCBs) and their congener-specific accumulation in edible fish from the Gulf of Gdańsk, Baltic Sea.

scientific article published in August 2002

Predicting Physical Properties of Nanofluids by Computational Modeling

article published in 2017

Predicting enthalpy of vaporization for Persistent Organic Pollutants with Quantitative Structure–Property Relationship (QSPR) incorporating the influence of temperature on volatility

Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?

article

Predicting water solubility of congeners: chloronaphthalenes--a case study

scientific article

Prediction of dielectric constant of ionic liquids

Prediction of environmental partition coefficients and the Henry's law constants for 135 congeners of chlorodibenzothiophene.

scientific article

Prediction of log K(OA), T(C), and log P(L) for 281 chlorosubstituted pyrenes as the key parameters featuring environmental transport and fate of these compounds

scientific article published on September 2003

QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells

scientific article published on 6 April 2013

QSPR Modeling of Partition Coefficients and Henry’s Law Constants for 75 Chloronaphthalene Congeners by Means of Six Chemometric Approaches—A Comparative Study

article

QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners

Quantitative Structure–Activity Relationships (QSARs) in the European REACH System: Could These Approaches be Applied to Nanomaterials?

article published in 2009

Quantitative structure-activity relationships for the prediction of relative in vitro potencies (REPs) for chloronaphthalenes

scientific article published on April 2007

Rapid insight into C60 influence on biological functions of proteins

Rare earth ions doped K2Ta2O6 photocatalysts with enhanced UV–vis light activity

scholarly article by Anna Krukowska et al published May 2018 in Applied Catalysis B: Environmental

Reliability of environmental fate modeling results for POPs based on various methods of determining the air/water partition coefficient (log KAW)

Reply to the comment on "Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models" by D. A. Tasi, J. Csontos, B. Nagy, Z. Kónya and G. Tasi, Nanoscale, 2018, 10, C8NR02377H

Representing and describing nanomaterials in predictive nanoinformatics

scientific article published on 18 August 2022

Risk Governance of Emerging Technologies Demonstrated in Terms of its Applicability to Nanomaterials

scientific article published on 23 July 2020

Scanning electron microscopy image representativeness: morphological data on nanoparticles.

scientific article

Selection of Representative Congener for Polychlorinated Trans-Azobenzenes (PCt-ABs) Based on Comprehensive Thermodynamical and Quantum-Chemical Characterization

Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated?

Spectral density distribution moments as novel descriptors for QSAR/QSPR

Statistical properties of spectra of chloronaphthalenes

scholarly article by Dorota Bielińska-W a̧ ż et al published 7 December 2012 in Journal of Mathematical Chemistry

Structure-activity prediction networks (SAPNets): a step beyond Nano-QSAR for effective implementation of the safe-by-design concept

scientific article published on 13 October 2020

Temperature-dependent structure-property modeling of viscosity for ionic liquids

The Acid Strength of the Lewis-Brønsted Superacids - a QSPR Study

scientific article published on 12 February 2019

The Essential Elements of a Risk Governance Framework for Current and Future Nanotechnologies

scientific article

The performance of selected semi-empirical and DFT methods in studying C60 fullerene derivatives

Thermodynamical and quantum-chemical characterization and chemometrical selection of representative congeners oftrans-chloroazoxybenzene

article by Sławomir Piliszek et al published January 2007 in Journal of Environmental Science and Health. Part A: Toxic Hazardous Substances and Environmental Engineering

Toward the development of "nano-QSARs": advances and challenges

scientific article

Towards designing environmentally safe ionic liquids: the influence of the cation structure

Towards modelling of the environmental fate of pharmaceuticals using the QSPR-MM scheme

Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems

scientific article published on 25 February 2016

Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: hints from nano-QSAR studies

scientific article

Transcriptomics in Toxicogenomics, Part I: Experimental Design, Technologies, Publicly Available Data, and Regulatory Aspects

scientific article published on 15 April 2020

Transcriptomics in Toxicogenomics, Part III: Data Modelling for Risk Assessment

scientific article published on 08 April 2020

Using AOP-Wiki to support the ecotoxicological risk assessment of nanomaterials: first steps in the development of novel adverse outcome pathways

scientific article published in 2022

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles

scientific article published on 13 February 2011

Which structural features stand behind micelization of ionic liquids? Quantitative Structure-Property Relationship studies

Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach

article

“NanoBRIDGES” software: Open access tools to perform QSAR and nano-QSAR modeling

scholarly article by Pravin Ambure et al published October 2015 in Chemometrics and Intelligent Laboratory Systems

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