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Search results for: deep eutectic solvent
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Using Deep Neural Network Methods for Forecasting Energy Productivity Based on Comparison of Simulation and DNN Results for Central Poland—Swietokrzyskie Voivodeship
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Using Deep Neural Network Methods for Forecasting Energy Productivity Based on Comparison of Simulation and DNN Results for Central Poland – Swietokrzyskie Voivodeship
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Thermally Stable and Deep Red Luminescence of Sr1–xBax[Mg2Al2N4]:Eu2+ (x = 0–1) Phosphors for Solid State and Agricultural Lighting Applications
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The role of solvent solubility parameters in the formation of intermittent low and high molecular weight polystyrene rich structures in a thin film resulting from water vapor induced phase separation
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Measurements of Activity Coefficients at Infinite Dilution for Organic Solutes in the Ionic Liquids N-Ethyl- and N-Octyl-N-methylmorpholinium Bis(trifluoromethanesulfonyl)imide. A Useful Tool for Solvent Selection
PublicationIn recent years, many papers describing ionic liquids (IL) as promising solvents in separation techniques have been published. The conscious choice of appropriate ionic liquid as absorption media in effective extraction of selected types of analytes requires deeper understanding of the analyte−IL interactions. Therefore, intensive research is conducted to determine the values of activity coefficient at infinite dilution, which...
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The first manganese trialkoxysilanethiolates: formation, properties and structure of solvent ligated complexes - [Mn{SSi(OBut)3}2(MeCN)] and [Mn{SSi(OBut)3}2(MeOH)4]
PublicationW pracy przedstawiono otrzymywanie i strukturę pierwszych trialkoksysilanotiolanowych kompleksów manganu(II). Syntezy prowadzone były reakcji 2≡SiSH+ MnCl2 + 2Et3N = (≡SiS)2Mn + 2Et3N.HCl doprowadziły do otrzymania nowych kompleksów: [Mn{SSi(OBut)3}2(MeOH)4] (gdy jako rozpuszczalnik zastosowano MeOH) oraz [Mn{SSi(OBut)3}2(NCCH3)], gdy w badaniach posłużono się acetonitrylem.
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Charakterystyka wybranych tłuszczów użytych w gastronomii do głębokiego smażenia. Characteristics of selected fats used in catering industry for deep frying of food stuffs.
PublicationW wybranych losowo próbach tłuszczów smażalniczych z gastronomii oznaczono skład kwasów tłuszczowych, Liczbę Kwasową, Liczbę Anizydynową, Liczbę Nadtlenkową oraz zawartość i skład frakcji polarnej. Nie znaleziono korelacji pomiędzy stopniem nienasycenia badanych tłuszczów smażalniczych (LJ) i badanymi wyróżnikami jakości.
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The Application of 2,6-Bis(4-Methoxybenzoyl)-Diaminopyridine in Solvent Extraction and Polymer Membrane Separation for the Recovery of Au(III), Ag(I), Pd(II) and Pt(II) Ions from Aqueous Solutions
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(μ-Tri-tert-butoxysilanethiolato)bis[(tetrahydrofuran)lithium(I)] and catena-poly[[bis(μ-tri-tert-butoxysilanethiolato)dilithium(I)]-μ-dimethoxyethane]: solvent coordination as the structure-forming factor.
PublicationOpisano syntezę oraz wyznaczono strukturę molekularną i krystaliczną dwóch solwatowanych tri-tert-butoksysilanotiolanów litu. W przypadku użycia tetrahydrofuranu obserwuje się tworzenie struktury, zawierającej izolowane dimery. Zastosowanie dimetoksyetanu powoduje utworzenie struktury łańcuchowej, którą można uznać za przykład polimeru koordynacyjnego.
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Predicting the Purchase of Electricity Prices for Renewable Energy Sources Based on Polish Power Grids Data Using Deep Learning Models for Controlling Small Hybrid PV Microinstallations
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Efficient Recovery of Noble Metal Ions (Pd2+, Ag+, Pt2+, and Au3+) from Aqueous Solutions Using N,N'-Bis(salicylidene)ethylenediamine (Salen) as an Extractant (Classic Solvent Extraction) and Carrier (Polymer Membranes)
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Room temperature solvent extraction for simple and fast determination of total concentration of Ca, Cu, Fe, Mg, Mn, and Zn in bee pollen by FAAS along with assessment of the bioaccessible fraction of these elements using in vitro gastrointestinal digestion
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2,6-Bis((benzoyl-R)amino)pyridine (R = H, 4-Me, and 4-NMe2) Derivatives for the Removal of Cu(II), Ni(II), Co(II), and Zn(II) Ions from Aqueous Solutions in Classic Solvent Extraction and a Membrane Extraction
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Aqueous Biphasic Systems Using Chiral Ionic Liquids for the Enantioseparation of Mandelic Acid Enantiomers
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Bio-based semi-aromatic polyesters for coating applications
PublicationLinear and branched bio-based semi-aromatic (co)polyesters were evaluated as resins for solvent-basedand powder coatings. Dimethyl-2,5-furandicarboxylate (DMF), 2,3-butanediol and various multifunc-tional comonomers were used to synthesize amorphous hydroxyl-end-capped (co)polyesters. The resinswere cross-linked using the -caprolactam blocked trimer of isophorone diisocyanate. Both the solvent-based and powder coatings proved to...
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Wpływ ukształtowania zbrojenia na zarysowanie i nośność żelbetowego węzła tarczowego ze wspornikiem
PublicationPraca ma charakter eksperymentalno-teoretyczny i dotyczy zagadnień związanych z żelbetowymi tarczami pracującymi w przestrzennym układzie konstrukcji budynków. Celem niniejszej dysertacji było określenie wpływu głównych parametrów jakimi są sposób ukształtowania zbrojenia i smukłość ścinania na zarysowanie i nośność żelbetowego przestrzennego węzła tarczowego ze wspornikiem. Na podstawie aktualnego stanu wiedzy, opracowano program...
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Implementation of multicriteria decision analysis in design of experiment for dispersive liquid-liquid microextraction optimization for chlorophenols determination
PublicationA novel and efficient approach to optimization of extraction step prior the chromatographic determination of nine chlorinated phenols is described. It is based on the combination of design of experiments and multicriteria decision analysis. Such an approach is used to optimize dispersive liquid-liquid microextraction procedure for the determination of 9 chlorophenols in water samples. Three parameters are optimized – sample volume,...
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Microwave assisted liquefaction with crude glycerol as a potential method of brewer's spent grain utylization
PublicationBrewer's spent grain was applied as a low-cost industrial type of lignocellulose biomass in a liquefaction and solvent: biomass ratio on the efficiency of the process, chemical structure and basic properties of obtained prepared polyols and soil residues shed light on the biomass degradation mechanism through application of microwaves and further reaction of degradation products with solvent particles.
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Green aspects of techniques for the determination of currently used pesticides in environmental samples
PublicationPesticides are among the most dangerous environmental pollutants because of their stability, mobility and long-term effects on living organisms. Their presence in the environment is a particular danger. It is therefore crucial to monitor pesticide residues using all available analytical methods. The analysis of environmental samples for the presence of pesticides is very difficult: the processes involved in sample preparation are...
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Model-free and Model-based Reinforcement Learning, the Intersection of Learning and Planning
PublicationMy doctoral dissertation is intended as the compound of four publications considering: structure and randomness in planning and reinforcement learning, continuous control with ensemble deep deterministic policy gradients, toddler-inspired active representation learning, and large-scale deep reinforcement learning costs.
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Open-Set Speaker Identification Using Closed-Set Pretrained Embeddings
PublicationThe paper proposes an approach for extending deep neural networks-based solutions to closed-set speaker identification toward the open-set problem. The idea is built on the characteristics of deep neural networks trained for the classification tasks, where there is a layer consisting of a set of deep features extracted from the analyzed inputs. By extracting this vector and performing anomaly detection against the set of known...
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Linear and branched polyester resins based on dimethyl-2,5-furandicarboxylate for coating applications
PublicationIn this study, novel bio-based hydroxyl-functional (co)polyesters from dimethyl-2, 5-furandicarboxylate (DMF), 2,3-butanediol, and a variety of comonomers viz. glycerol, pentaerythritol or trimethylolpropane are prepared using a solvent-free, bulk polycondensation technique. Extensive molecular and thermal characterization was performed to elucidate the properties of these materials. The materials showed suitable properties for solvent-borne...
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The Effect of Cryogenic Treatment on Microstructure and Mechanical Response of AISI D3 Tool Steel Punches
PublicationRecently, deep cryogenic treatment is performed to improve the mechanical responses (wear, hardness, fatigue, and thermal conductivity) of various steel components. Researchers have tried to evaluate the eco-friendly and nontoxic process to optimize the parameters. Cold-shearing punches used to manufacture various holes that undergo severe impact loading and wear in the metal forming process. This study concerns the effect of soaking...
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Reinforcement Learning Algorithm and FDTD-based Simulation Applied to Schroeder Diffuser Design Optimization
PublicationThe aim of this paper is to propose a novel approach to the algorithmic design of Schroeder acoustic diffusers employing a deep learning optimization algorithm and a fitness function based on a computer simulation of the propagation of acoustic waves. The deep learning method employed for the research is a deep policy gradient algorithm. It is used as a tool for carrying out a sequential optimization process the goal of which is...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Microporous N-Doped Carbon Obtained from Salt Melt Pyrolysis of Chitosan toward Supercapacitor and Oxygen Reduction Catalysts
PublicationThe direct carbonization of low-cost and abundant chitosan biopolymer in the presencesalt eutectics leads to highly microporous, N-doped nanostructures. The microporous structureeasily manufactured using eutectic mixture (ZnCl2 -KCl) and chitosan. Potassium ions here can act as an intercalating agent, leading to the formation of lamellar carbon sheets, whereas zinc chloride generates significant porosity. Here, we present an efficient...
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Book Review
PublicationActing over the last three decades as an Editor and Associate Editor for a number of international journals in the general area of cybernetics and AI, as well as a Chair and Co-Chair of numerous conferences in this field, I have had the exciting opportunity to closely witness and to be actively engaged in the stimulating research area of machine learning and its important augmentation with deep learning techniques and technologies. From...
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublicationNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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Self-assembled concentric stripes of diamond particles by a pinning-depinning mechanism
PublicationWe describe the novel mechanism of spontaneous formation of the concentric stripe patterns of microdiamonds via gradual solvent evaporation from a suspension confined in a teardrop well. The self-organized patterns exhibit a series of arcs with regular spacings varying between hundreds of micrometers and millimeters. They result from an interplay between the directional forced circulation of the solvent and a stick-slip movement...
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Opracowanie technologii spawania naprawczego szyn poddźwigowych A120 oraz badania nieniszczące jakości szyn w DCT w Porcie Północnym
PublicationEkspertyza dotyczy realizacji zlecenia związanego z naprawą spoin szyn poddźwigowych na terenie terminalu kontenerowego - Deep Water Terminal (DCT) w Porcie Północnym w Gdańsku. W ramach opracowania: 1. Wykonano badania ultradźwiękowe (UT) i magnetyczno-proszkowe (MT) spoin czołowych szyn poddźwigowych typu A120, według schematu dostarczonego przez firmę SKANSKA S.A. 2. Wykonano analizę wyników badań...
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublicationIn this study, the temperature-dependent solubility of nicotinamide (niacin) was measured in six neat solvents and five aqueous-organic binary mixtures (methanol, 1,4-dioxane, acetonitrile, DMSO and DMF). It was discovered that the selected set of organic solvents offer all sorts of solvent effects, including co-solvent, synergistic, and anti-solvent features, enabling flexible tuning of niacin solubility. In addition, differential...
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Iron(III)-selective materials based on a catechol-bearing amide for optical sensing
PublicationThe synthesis and ion-binding properties of a new amide L derived from 3,4-dihydroxybenzoic acid are described. Due to the presence of a catechol unit, the compound interacts selectively with iron(III) in organic solvent (dimethyl sulfoxide, DMSO) to produce a color change from pale yellow to green. The incorporation of the ligand L into polymeric matrices or its encapsulation into surfactant-based spheres enables analyte detection...
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Determination of parent and methylated polycyclic aromatic hydrocarbons in water samples by dispersive liquid–liquid microextraction–two dimensional gas chromatography–time-of-flight mass spectrometry
PublicationPolycyclic aromatic hydrocarbons (PAHs) are contaminants frequently found in environmental waters. Owing to their toxic effects, it is important to develop analytical methodologies that allow their fast and reliable determination. Dispersive liquid–liquid microextraction (DLLME) allows a quick extraction of analytes with little organic solvent consumption. The best results regarding sample preparation are obtained when 40 mL of...
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The significance of the properties of water for the working cycle of the kinesin molecular motor
PublicationExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
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Optymalizacja zasobów chmury obliczeniowej z wykorzystaniem inteligentnych agentów w zdalnym nauczaniu
PublicationRozprawa dotyczy optymalizacji zasobów chmury obliczeniowej, w której zastosowano inteligentne agenty w zdalnym nauczaniu. Zagadnienie jest istotne w edukacji, gdzie wykorzystuje się nowoczesne technologie, takie jak Internet Rzeczy, rozszerzoną i wirtualną rzeczywistość oraz deep learning w środowisku chmury obliczeniowej. Zagadnienie jest istotne również w sytuacji, gdy pandemia wymusza stosowanie zdalnego nauczania na dużą skalę...
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Assessing the attractiveness of human face based on machine learning
PublicationThe attractiveness of the face plays an important role in everyday life, especially in the modern world where social media and the Internet surround us. In this study, an attempt to assess the attractiveness of a face by machine learning is shown. Attractiveness is determined by three deep models whose sum of predictions is the final score. Two annotated datasets available in the literature are employed for training and testing...
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Nietypowa podziemna konstrukcja oporowa w technologii DSM jako zabezpieczenie głębokiej wymiany gruntu
PublicationW artykule przedstawiono nietypowe rozwiązanie podparcia i zabezpieczenia głębokiej wymiany gruntu z zastosowaniem przestrzennej konstrukcji oporowej w technologii DSM, ze względu na ograniczenie miejsca oraz zapewnienie stateczności nasypu drogowego. Opisano również realizację rozwiązania oraz prowadzony monitoring geotechniczny.
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Nietypowa podziemna konstrukcja oporowa w technologii DSM jako zabezpieczenie głębokiej wymiany gruntu
PublicationW artykule przedstawiono nietypowe rozwiązanie podparcia i zabezpieczenia głębokiej wymiany gruntu z zastosowaniem przestrzennej konstrukcji oporowej w technologii DSM, ze względu na ograniczenie miejsca oraz zapewnienie stateczności nasypu drogowego. Opisano również realizację rozwiązania oraz prowadzony monitoring geotechniczny.
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Rapid method for the determination of organochlorine pesticides and PCBs in fish muscle samples by microwave-assisted extraction and analysis of extracts by GC-ECD
PublicationA procedure for the multiresidue determination of organochlorine pesticides and polychlorinated biphenyls in fish muscle samples has been developed. The method is based on the microwave-assisted extraction (MAE) of food samples from an acetonitrile-water (95 + 5, v/v) mixture followed by SPE cleanup of the extracts and analysis by GC with an electron capture detector. MAE operational parameters, such as the extraction solvent,...
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Chemical structures, rheological and physical properties of biopolyols prepared via solvothermal liquefaction of Enteromorpha and Zostera marina biomass
PublicationIn this work, liquefied biomass from the Baltic Sea was used for the preparation of rigid polyurethane (PUR) foams. The biomass contained 10 wt% of Enteromorpha macroalgae and 90 wt% of Zostera marina seagrass characterized by a high content of cellulose. The influence of time, temperature and the type of solvent on the efficiency of the liquefaction process and properties of biopolyols was determined. Obtained materials were analyzed...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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A procedure for the determination of dichloromethane and tetrachloroethene in water using pervaporation and gas chromatography
PublicationIn the present study, pervaporation was applied to the determination of tetrachloroethene (PCE) and dichloromethane (DCM) in liquid samples. PCE is the most commonly used solvent in dry-cleaning processes. PCE belongs to group 2A of carcinogens (probably carcinogenic to humans) according to the classification of the International Agency for Research on Cancer (IARC). DCM is also widely used as an industrial solvent for the purification...
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Environmental risk- based ranking of solvents by the combination of multimedia model and multi-criteria decision analysis
PublicationA novel procedure for assessing the environmental risk related to solvents emissions has been developed. The assessment of risk is based on hazard and exposure detailed investigations. The potential exposure related to different environmental phases is calculated with basic multimedia model, that gives the percentage distribution of solvent in environmental compartments as a result. Specific hazards– toxicological, environmental...
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Analysis-by-synthesis paradigm evolved into a new concept
PublicationThis work aims at showing how the well-known analysis-by-synthesis paradigm has recently been evolved into a new concept. However, in contrast to the original idea stating that the created sound should not fail to pass the foolproof synthesis test, the recent development is a consequence of the need to create new data. Deep learning models are greedy algorithms requiring a vast amount of data that, in addition, should be correctly...
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Nowoczesne technologie uszczelniania wałów przeciwpowodziowych.
PublicationOpisano zastosowanie wąskoszczelinowych przesłon przeciwfiltracyjnych wykonywanych w technologii WIPS wibracyjnie iniektowana przesłona szczelinowa oraz DSM ( ang. deep soil mixing - mieszanie wgłębne gruntu). Przedstawiono przykłady zastosowania w Polsce.
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublicationInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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The dispersive micro-solid phase extraction method for MS-based lipidomics of human breast milk*
PublicationA simple and rapid microextraction method ensuring high lipidome coverage was developed for liquid chromatography mass spectrometry (LC-MS)-based lipidomics of human breast milk. The dispersive microsolid phase extraction (D-µ-SPE) technique, coupled with the design of experiment (DoE) method, enabled the study of the influence of several conditions (desorption solvent, stationary phase ratio, and sorption and desorption time)...