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Search results for: TOXICOLOGICAL SCREENING
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Forced Degradation Studies of Ivabradine and In Silico Toxicology Predictions for Its New Designated Impurities
PublicationAll activities should aim to eliminate genotoxic impurities and/or protect the API against degradation. There is a necessity to monitor impurities from all classification groups, hence ivabradine forced degradation studies were performed. Ivabradine was proved to be quite durable active substance, but still new and with insufficient stability data. Increased temperature, acid, base, oxidation reagents and light were found to cause...
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Improving methods to calculate the loss of ecosystem services provided by urban trees using LiDAR and aerial orthophotos
PublicationIn this paper we propose a methodology for combining remotely sensed data with field measurements to assess selected tree parameters (diameter at breast height (DBH) and tree species) required by the i-Tree Eco model to estimate ecosystem services (ES) provided by urban trees. We determined values of ES provided by trees in 2017 in Racibórz (a city in South Poland) and estimated the loss of ES from January 1, 2017 to March 5, 2017,...
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Application of passive sampling techniques as a usable tool in the field of environmental quality monitoring
PublicationAnalysis of literature data published for the past 20 years leads to the conclusion, that passive sampling technique has been developing very quickly and is commonly used in the field of monitoring pollutants in air, water and soil environment. The popularity of application of passive sampling techniques in analytical and environmental chemistry results from its many advantages e.g.: Simplicity in use, low costs of exploitation,...
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Efficient Extraction of Fermentation Inhibitors by Means of Green Hydrophobic Deep Eutectic Solvents
PublicationThe methods for hydrogen yield efficiency improvements, the gaseous stream purification in gaseous biofuels generation, and the biomass pretreatment are considered as the main trends in research devoted to gaseous biofuel production. The environmental aspect related to the liquid stream purification arises. Moreover, the management of post-fermentation broth with the application of various biorefining techniques gains importance....
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A novel chemiluminescent immunoassay based on original acridinium ester labels as better solution for diagnosis of human toxoplasmosis than conventional ELISA test
PublicationToxoplasma gondii infection is one of the most common human zoonosis. Laboratory diagnosis of this disease is mainly based on the results of serological methods detecting specific antibodies in the patient’s sera. In this study we aimed to evaluate the performance of a chemiluminescence immunoassay (CLIA) based on the use of a novel immunochemical reagent in the form of the conjugate of original acridinium label (AL) attached to...
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Determination of Pesticide Residues in Honeybees using Modified QUEChERS Sample Work-Up and Liquid Chromatography-Tandem Mass Spectrometry
PublicationIncreasing emissions of chemical compounds to the environment, especially of pesticides, is one of factors that may explain present honeybee colony losses. In this work, an analytical method employing liquid chromatography-tandem mass spectrometry (LC-MS/MS) was optimized for the simultaneous screening of 19 pesticides which have not been yet determined in honeybee samples from northern Poland (Pomerania). The sample preparation,...
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Optical method supported by machine learning for dynamics of C‐reactive protein concentrations changes detection in biological matrix samples
PublicationIn this article we present the novel spectroscopy method supported with machine learning for real-time detection of infectious agents in wastewater. In the case of infectious diseases, wastewater monitoring can be used to detect the presence of inflammation biomarkers, such as the proposed C-reactive protein, for monitoring inflammatory conditions and mass screening during epidemics for early detection in communities of concern,...
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Detection of gaseous compounds with different techniques
PublicationSensing technology has been developed for detection of gases in some environmental, industrial, medical, and scientific applications. The main tasks of these works is to enhance performance of gas sensors taking into account their different applicability and scenarios of operation. This paper presents the descriptions, comparison and recent progress in some existing gas sensing technologies. Detailed introduction to optical sensing...
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Folding‐upon‐repair DNA nanoswitches for monitoring DNA repair enzymes activity
PublicationWe demonstrate here a new class of DNA‐based nanoswitches that, upon enzymatic repair, could undergo a conformational change mechanism leading to a change in fluorescent signal. Such folding‐upon‐repair DNA nanoswitches are synthetic DNA sequences containing O6‐methyl‐guanine (O6‐MeG) nucleobases and labelled with a fluorophore/quencher optical pair. The nanoswitches are rationally designed so that only upon enzymatic demethylation...
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Glutathione-mediated conjugation of anticancer drugs: an overview of reaction mechanisms and biological significance for drug detoxification and bioactivation.
PublicationThe effectiveness of many anticancer drugs depends on the creation of specific metabolites that may alter their therapeutic or toxic properties. One significant route of biotransformation is a conjugation of electrophilic compounds with reduced glutathione, which can be non-enzymatic and/or catalyzed by glutathione-dependent enzymes. Glutathione usually combines with anticancer drugs and/or their metabolites to form more polar...
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Model tests of cast-in-place piles formed by using different types of auger
PublicationModel tests are still a popular research tool used to observe and determine the mechanisms of pile-soil interaction. Due to the significant scale effect, the results of model tests performed in the 1g system can only be analysed from the qualitative side. This article describes and presents the results of 1g pile model tests carried out for comparative purposes. There were tested the effectiveness and efficiency of various types...
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Forced degradation studies of ivabradine and in silico toxicology predictions for its new designated impurities
PublicationAll activities should aim to eliminate genotoxic impurities and/or protect the API againstdegradation. There is a necessity to monitor impurities from all classification groups,hence ivabradine forced degradation studies were performed. Ivabradine was provedto be quite durable active substance, but still new and with insufficient stability data.Increased temperature, acid, base, oxidation reagents and...
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Recent advances on SOA formation in indoor air, fate and strategies for SOA characterization in indoor air - A review
PublicationRecent studies proves that indoor air chemistry differs in many aspects from atmospheric one. People send up to 90 % of their life indoors being exposed to pollutants present in gas, particle and solid phase. Particle phase indoor is composed of particles emitted from various sources, among which there is an indoor source – secondary chemical reactions leading to formation of secondary organic aerosol (SOA). Lately, researchers'...
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Meconium analysis as a promising diagnostic tool for monitoring fetal exposure to toxic substances: Recent trends and perspectives
PublicationPrenatal exposure to toxic substances is an important public health problem. Many biological specimens obtained from the fetus or mother are used for biomonitoring. Each material reflects exposure in a specific time period and has different advantages and disadvantages in terms of accuracy, time window of detection and cost/benefit ratio. Recently, meconium has become the matrix of choice in toxicology screening for detecting exposure...
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Evaluation of Three Peptide Immobilization Techniques on a QCM Surface Related to Acetaldehyde Responses in the Gas Phase
PublicationThe quartz-crystal microbalance is a sensitive and universal tool for measuring concentrations of various gases in the air. Biochemical functionalization of the QCM electrode allows a label-free detection of specific molecular interactions with high sensitivity and specificity. In addition, it enables a real-time determination of its kinetic rates and affinity constants. This makes QCM a versatile bioanalytical screening tool for...
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Topological Model of an Electromagnetic Environment Inside a Ship for Electromagnetic Compatibility (EMC) Analysis
PublicationThe mutual electromagnetic (EM) interactions between electrical and electronic devices in a segmented space, such as a ship's environment, ared described. Firstly, the topological structure of a ship's segmented internal environment, which consists of many electrical screening walls (shielding planes), is presented. Then, taking into account the ship's topological structure, a general description of the EM disturbance distribution,...
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Estimation of respiration rate using an accelerometer and thermal camera in eGlasses
PublicationRespiration rate is a very important vital sign. Different methods of respiration rate measurement or estimation have been developed. However, especially interesting are those that enable remote and unobtrusive monitoring. In this study, we investigated the use of smart glasses for the estimation of respiration rate especially useful for indoors applications. Two methods were analyzed. The first one is based on measurements of...
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Development of different methods for drugs and psychoactive substances extraction from hair samples and their identification based on HPLC-ESI-QTOF analysis
PublicationOver the past decade, the use of non-controlled designer drugs and drug of abuse has rapidly increased. Hair, as a human matrix, enables detection of drugs incorporated into its structure. Studies of presence and identification of drug metabolites in human hair samples has been performed using liquid chromatography electrospray ionization quadrupole time of flight mass spectrometry (HPLC-ESI-QTOF-MS) with steady alternation of...
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Low-Cost Behavioral Modeling of Antennas by Dimensionality Reduction and Domain Confinement
PublicationBehavioral modeling has been rising in importance in modern antenna design. It is primarily employed to diminish the computational cost of procedures involving massive full-wave electromagnetic (EM) simulations. Cheaper alternative offer surrogate models, yet, setting up data-driven surrogates is impeded by, among others, the curse of dimensionality. This article introduces a novel approach to reduced-cost surrogate modeling of...
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Chemometric Evaluation of WWTPs’ Wastewaters and Receiving Surface Waters in Bulgaria
PublicationWastewater treatment plant (WWTP) installations are designed and operated to reduce the quantity of pollutants emitted to surface waters receiving treated wastewaters. In this work, we used classical instrumental studies (to determine chemicals and parameters under obligations put with Directive 91/271/EEC), ecotoxicological tools (Sinapis alba root growth inhibition (SA-RG) and Heterocypris incongruens mortality (MORT) and growth...
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Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublicationBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
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Evaluation of flavour profiles in e-cigarette refill solutions using gas chromatography–tandem mass spectrometry
PublicationMany flavour compounds that are present in e-liquids for e-cigarettes are responsible for specific tastes and smoking sensations for users. Data concerning content and specific types of flavours is often limited and unknown to users. The aim of the research was to define and compare flavour profiles of e-liquids with the same group taste from different manufacturers. Gas chromatography coupled with tandem mass spectrometry (GC–MS/MS)...
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Application of gas chromatography–tandem mass spectrometry for the determination of amphetamine-type stimulants in blood and urine
PublicationAmphetamine, methamphetamine, phentermine, 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxymethamphetamine (MDMA), and 3,4-methylenedioxy-N-ethylamphetamine (MDEA) are the most popular amphetamine-type stimulants. The use of these substances is a serious societal problem worldwide. In this study, a method based on gas chromatography-tandem mass spectrometry (GC-MS/MS) with simple and rapid liquid-liquid extraction (LLE)...
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Identification of novel psychoactive substances 25B-NBOMe and 4-CMC in biological material using HPLC-Q-TOF-MS and their quantification in blood using UPLC–MS/MS in case of severe intoxications
PublicationThis paper describes cases of poisoning caused by new psychoactive substances such as: 25BNBOMe (2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine) and 4-CMC (1-(4-chlorophenyl)-2-(methylamino)-1-propanone). The analytical procedure includes rapid and selective method for the extraction and determination of 4-CMC and 25B-NBOMe in blood samples using UPLC–MS/MS technique. To the best of our knowledge,this is...
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N-doped carbon nanospheres as selective fluorescent probes for mercury detection in contaminated aqueous media: chemistry, fluorescence probing, cell line patterning, and liver tissue interaction
PublicationA precise nano-scale biosensor was developed here to detect Hg2+ in aqueous media. Nitrogen-doped carbon nanospheres (NCS) created from the pyrolysis of melamine–formaldehyde resin were characterized by FESEM, XRD, Raman spectra, EDS, PL, UV–vis spectra, and N2 adsorption–desorption, and were used as a highly selective and sensitive probe for detecting Hg2+ in aqueous media. The sensitivity of NCS to Hg2+ was evaluated by photoluminescence...
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Thermal Instability of Choline Chloride-Based Deep Eutectic Solvents and Its Influence on Their Toxicity─Important Limitations of DESs as Sustainable Materials
PublicationDeep eutectic solvents (DESs) have become a hot topic in many branches of science due to their remarkable properties. They have been studied in a wide variety of applications. In particular, choline chloride (ChCl)-based DESs are one of the most commonly used representatives of these fluids. Nevertheless, in order to apply DESs in some fields, it is essential to guarantee their stability, reusability, and biocompatibility. In this...
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Relationship between conversion rate of glucosinolates to isothiocyanates/indoles and genotoxicity of individual parts of Brassica vegetables
PublicationThe studies on the characterisation of glucosinolates (GLs) and their breakdown products in Brassicaceae species focus mainly on the edible parts. However, other products, e.g., dietary supplements, may be produced also from non-edible parts such as roots or early forms of growth: seeds or sprouts. Biological activity of these products depends on quantitative and qualitative GL composition, but is also strictly determined by GL...
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The data exchange between smart glasses and healthcare information systems using the HL7 FHIR standard
PublicationIn this study we evaluated system architecture for the use of smart glasses as a viewer of information, as a source of medical data (vital sign measurements: temperature, pulse rate, and respiration rate), and as a filter of healthcare information. All activities were based on patient/device identification procedures using graphical markers or features based on visual appearance. The architecture and particular use cases were implemented...
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The Usefulness of Cyclic Diamidines with Different Core-substituents as Antitumor Agents
PublicationA series of related polycationic compds. has been screened for potential antitumor activity by the NCI's in vitro testing (one dose primary anticancer assay and the NCI-60 full panel screening). The GI50 values of triazines 3 and 4 are on av. 1.9 μM and 2.4 μM, resp. Furan 8 deserves mention too (1.9 μM). The biol. test results showed that carbazole 10 possessed cytotoxic activity in the nanomolar range, much better than...
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Efficient optimization approaches for microwave assisted extraction of high-quality antioxidant compounds from Salvia officinalis L.: UHPLC-HRMS differential analysis of phenolic profiles obtained by ultrasound and microwave extraction
PublicationThe study aims to optimize MAE of total phenolic compounds (TPC) and antioxidant capacity from Salvia officinalis L. leaves using a definitive screening design (DSD) and I-optimal design. UHPLC-HRMS analysis was used to identify and compare the composition of MAE and UAE optimal extracts. The results showed that DSD and I-optimal design were successfully applied for the optimization of MAE targeting phenolics and other antioxidants...
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Evaluation of Respiration Rate Using Thermal Imaging in Mobile Conditions
PublicationRespiratory rate is very important vital sign that should be measured and documented in many medical situations. The remote measurement of respiration rate can be especially valuable for medical screening purposes (e.g. severe acute respiratory syndrome (SARS), pandemic influenza, etc.). In this chapter we present a review of many different studies focused on the measurements and estimation of respiration rate using thermal imaging...
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Machine Learning and Electronic Noses for Medical Diagnostics
PublicationThe need for noninvasive, easy-to-use, and inexpensive methods for point-of-care diagnostics of a variety of ailments motivates researchers to develop methods for analyzing complex biological samples, in particular human breath, that could aid in screening and early diagnosis. There are hopes that electronic noses, that is, devices based on arrays of semiselective or nonselective chemical sensors, can fill this niche. Electronic...
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Determination of aminoglycoside antibiotics: current status and future trends
PublicationThe use of aminoglycoside antibiotics is prevalent in medicine and agriculture. Their overuse increases their mobility in the environment, resulting in a need for reliable methods for their determination in a variety of matrices. However, the properties of aminoglycosides, in particular their high polarity, make the development of such methods a non-trivial task, inciting researchers to tackle this complex issue from different...
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Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublicationApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
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Magnetic superhydrophobic melamine sponges for crude oil removal from water
PublicationThis paper proposes the preparation of a new sorbent material based on melamine sponges (MS) with superhydrophobic, superoleophilic, and magnetic properties. This study involved impregnating the surface of commercially available MS with eco-friendly deep eutectic solvents (DES) and Fe3O4 nanoparticles. The DES selection was based on the screening of 105 eutectic mixtures using COSMO-RS modeling. Other parameters affecting the efficiency...
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Modification of gradient HPLC method for determination of small molecules' affinity to human serum albumin under column safety conditions: Robustness and chemometrics study
PublicationIn the early stages of drug discovery, beyond the biological activity screening, determining the physicochemical properties that affect the distribution of molecules in the human body is an essential step. Plasma protein binding (PPB) is one of the most important investigated endpoints. Nevertheless, the methodology for measuring %PPB is significantly less popular and standardized than other physicochemical properties, like lipophilicity....
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Miniaturized passive emission test chamber for in-situ measurement of emissions of organic compounds
PublicationThe results of many different studies have demonstrated unequivocally that the quality of indoor air is often much worse than that of atmospheric air (outdoor). One of the main groups of chemical compounds present in indoor air, with proven harmfulness to health,are volatile organic compounds (VOCs). VOCs present indoor comprise a wide variety of hydrocarbons and hydrocarbons derivatives including aliphatic, aromatics, alkylbenzens,...
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Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublicationFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
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Blood concentrations of a new psychoactive substance 4-chloromethcathinone (4-CMC) determined in 15 forensic cases
PublicationPurpose: The 4-chloromethcathinone (4-CMC) is a synthetic derivative of cathinone and belongs to new psychoactive substances. Neither data on the effects of 4-CMC on the human body, nor on nontoxic, toxic and lethal concentrations in biological materials have been published in the literature. This paper describes the results of an analysis of the blood concentrations of 4-CMC determined in 15 forensic cases related to nonfatal...
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Modeling of pharmaceuticals mixtures toxicity with deviation ratio and best-fit functions models
PublicationThe present study deals with assessment of ecotoxicological parameters of 9 drugs (diclofenac (sodium salt), oxytetracycline hydrochloride, fluoxetine hydrochloride, chloramphenicol, ketoprofen, progesterone, estrone, androstenedione and gemfibrozil), present in the environmental compartments at specific concentration levels, and theirmutual combinations by couples against Microtox® and XenoScreen YES/YAS® bioassays. As the quantitative...
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The 12 principles of green analytical chemistry and the SIGNIFICANCE mnemonic of green analytical practices
PublicationThe current rapid development of green analytical chemistry (GAC) requires clear, concise guidelines in the form of GAC principles that will be helpful in greening laboratory practices. The existing principles of green chemistry and green engineering need revision for their use in GAC because they do not fully meet the needs of analytical chemistry. In this article we propose a set of 12 principles consisting of known concepts...
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Nondestructive Optical Sensing of Flavonols and Chlorophyll in White Head Cabbage ( Brassica oleracea L. var. capitata subvar. alba ) Grown under Different Nitrogen Regimens
PublicationA multiparametric optical sensor was used to nondestructively estimate phytochemical compounds in white cabbage leaves directly in the field. An experimental site of 1980 white cabbages (Brassica oleracea L. var. capitata subvar. alba), under different nitrogen (N) treatments, was mapped by measuring leaf transmittance and chlorophyll fluorescence screening in one leaf/cabbage head. The provided indices of flavonols (FLAV) and...
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Determination of 3-MCPD and 2-MCPD esters in edible oils, fish oils and lipid fractions of margarines available on Polish market
Publication3-monochloropropane-1,2-diol (3-MCPD) and 2-monochloropropane-1,3-diol (2-MCPD) are intensively investigated food contaminants, which recently emerged as a serious problem within the discovery of high levels of their fatty acid esters in lipid samples. In order to monitor the concentrations of mentioned toxicants in edible oils and fats, several analytical methods have been developed so far. This paper presents the screening research...
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The Use of Liquid Crystal Thermography in Selected Technical and Medical Applications—Recent Development
PublicationThermochromic liquid crystals (TLC) and true-colour digital image processing have been successfully used in non-intrusive technical, industrial and biomedical studies and applications. Thin coatings of TLC at surfaces are utilized to obtain detailed temperature distributions and heat transfer rates for steady or transient processes. Liquid crystals also can be used to make the temperature and velocity fields in liquids visible...
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Lead-free bismuth-based perovskites coupled with g–C3N4: A machine learning based novel approach for visible light induced degradation of pollutants
PublicationThe use of metal halide perovskites in photocatalytic processes has been attempted because of their unique optical properties. In this work, for the first time, Pb-free Bi-based perovskites of the Cs3Bi2X9 type (X = Cl, Br, I, Cl/Br, Cl/I, Br/I) were synthesized and subjected to comprehensive morphological, structural, and surface analyses, and photocatalytic properties in the phenol degradation reaction were examined. Furthermore,...
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Shoulder ultrasound in the diagnosis of the suprascapular neuropathy in athletes
PublicationPurpose: Shoulder pain and weakness are common symptoms in athletes who play sports connected with overhead throwing. Suprascapular neuropathy may be one of the reason of such signs.The aim of the study was to find out if ultrasound examination of the shoulder in athletes reveals signs of suprascapular neuropathy. Methods: This was a cross-sectional study in which 67 pro- fessional volleyball, handball and rugby players of polish...
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Current trends in analytical strategies for the determination of polybrominated diphenyl ethers (PBDEs) in samples with different matrix compositions – Part 2: New approaches to PBDEs determination
PublicationHerein, we review the latest technical solutions for polybrominated diphenyl ethers (PBDEs) determination in samples with different matrix compositions, largely focusing on gas chromatography but also presenting some liquid chromatography–based solutions. Moreover, we discuss the use of diverse sample injection techniques while considering the advantages and disadvantages of each injection system in the context of PBDEs analysis....
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Detection of debonding in reinforced concrete beams using ultrasonic transmission tomography and hybrid ray tracing technique
PublicationThis paper concerns inspection of reinforced concrete elements, with particular emphasis on assessing the quality of the adhesive connection between steel and concrete. A novel theoretical model was developed to determine the paths of transmitted, refracted and reflected elastic waves as well as a creeping wave propagated along the inclusion surface. Imaging the internal structure of tested beams was based on wave propagation measurements...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Application of GC-MS/MS technique for the determination of benzodiazepines in blood samples
PublicationAbstract Benzodiazepines (BZD) are widely used as pharmaceuticals in medicine. However, due to psychostimulatory effect of BZD, in the last decade, they are more and more often used as drugs of abuse. These compounds produce similar effects to classical illicit drugs and are sold as “legal” alternatives to them as new psychoactive substances (NPS). Currently new BZD, named designer benzodiazepines (DBZD), are synthesized each year...