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Wyniki wyszukiwania dla: ION MOLECULAR RECOGNITION
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Tris(ferrocenylmethidene)sumanene: synthesis, photophysical properties and applications for efficient caesium cation recognition in water
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Conditions for increasing the recognition of degradation in thermal-flow diagnostics, taking into account environmental legal aspects
PublikacjaThe ever-increasing demand for electricity and the need for conventional sources to cooperate with renewable ones generates the need to increase the efficiency and safety of the generation sources. Therefore, it is necessary to find a way to operate existing facilities more efficiently with full detection of emerging faults. These are the requirements of Polish, European and International law, which demands that energy facilities...
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Intra-subject class-incremental deep learning approach for EEG-based imagined speech recognition
PublikacjaBrain–computer interfaces (BCIs) aim to decode brain signals and transform them into commands for device operation. The present study aimed to decode the brain activity during imagined speech. The BCI must identify imagined words within a given vocabulary and thus perform the requested action. A possible scenario when using this approach is the gradual addition of new words to the vocabulary using incremental learning methods....
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On the new possibility of applying oscillating liquid membrane systems for melecular recognition substances responsible for taste.
PublikacjaSugerowano wczesniej, że układy osylacyjne z membraną ciekłą mogą być uzyte do opracowania sensora smaku. zbadano wpływ substancji odpowiedzialnych za smak należacych do czterech klas samku na charakterystyki osylacyjne oscylatora z mambrana ciekłą i kationowym surfaktantem chlorkiem benzylodimetylotetradecyloamonionowym. Wykazano,że niezaleznie od natury rozpuszczalnika organicznego w membranie ciekłej charkterystyki oscylacyjne...
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublikacjaA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Reversed-Phase TLC and HPLC Retention Data in Correlation Studies with in Silico Molecular Descriptors and Druglikeness Properties of Newly Synthesized Anticonvulsant Succinimide Derivatives
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The application of isotopically labeled analogues for the determination of small organic compounds by GC/MS with selected ion monitoring
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<title>Correction of fiber optic ion sensor readings using a fiber optic temperature sensor</title>
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Citropin 1.1 Trifluoroacetate to Chloride Counter-Ion Exchange in HCl-Saturated Organic Solutions: An Alternative Approach
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Pyrrole azocrown ethers. Synthesis, complexation, selective lead transport and ion-selective membrane electrode studies
PublikacjaOtrzymano nowe, 21-członowe, lipofilowe etery koronowe z jednostką pirolową i dwoma grupami azowymi jako składowymi makrocyklu. Właściwości kompleksujące tych nowych oraz dwóch wcześniej otrzymanych makrocykli zbadano w acetonitrylu. Ligandy te zostały użyte jako jonofory w badaniach konkurencyjnego transportu równomolowej mieszaniny jonów metali: Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Ag2+, Pb2+ w układzie woda(pH 4.9)/chloroform/woda(pH...
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Recycling of Plastic Wastes for the Mass Production of Yolk–Shell-Nanostructured Co3O4@C for Lithium-Ion Batteries
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Hollow carbon spheres loaded with uniform dispersion of copper oxide nanoparticles for anode in lithium- ion batteries
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Improved performance in lithium ion battery of CNT-Fe3O4@graphene induced by three-dimensional structured construction
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Medical Plant Extract Purification from Cadmium(II) Using Modified Thermoplastic Starch and Ion Exchangers
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Disiloxanes and Functionalized Silica Gels: One Route, Two Complementary Outcomes—Guanidinium and Pyridinium Ion-Exchangers
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Core/shell structured Ti/Si/C composite for high-performance zinc-ion hybrid capacitor
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Recycling of Plastic Wastes for the Mass Production of Yolk–Shell-Nanostructured Co3O4@C for Lithium-Ion Batteries
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Crystal structure and isothermal titration calorimetry studies of new cobalt(II) complex with 2-methylnitrilotriacetate ion
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Influence of transition metal ion concentration on near-infrared emission of Ho3+ in barium gallo-germanate glasses
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Determination of the amount of wash amines and ammonium ion in desulfurization products of process gases and results of related studies
PublikacjaPrzedstawiono metodę oznaczania tzw. amin myjących i ich produktów degradacji, włączając jon amonowy w wodach procesowych i ściekach wytwarzanych podczas odsiarczania gazów. W procesach rafinacji ropy naftowej zastosowano jonowymienną chromatografię cieczową z detektorem refraktometrycznym oraz tanią kationowymienną kolumnę HPLC. Otrzymane wyniki oznaczeń porównano z wynikami uzyskanymi przez miareczkowanie potencjometryczne....
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Differential cross sections for electron impact vibrational excitation of molecular oxygen in the angular range 15° - 180°.
PublikacjaZmierzono absolutne różniczkowe przekroje czynne na wzbudzenie drobin tlenu do poziomów oscylacyjnych v=1-4 stanu podstawowego X3 suma g. Pomiary wykonano dla energii elektronów równej 10eV w zakresie kątów rozproszenia od 15° do 180°.
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The extended version of restriction analysis approach for the examination of the ability of low-molecular-weight compounds to modify DNA in a cell-free system
PublikacjaOne of the primary requirements in toxicology is the assessment of ability of chemicals to induce DNA covalent modification. There are several well-established methods used for this purpose such as 32P-Postlabeling or HPLC-MS. However, all of these approaches have difficult to overcome limitations, which prevents their use in genotoxin screening. Here, we describe the simple protocol exploiting specificity of restriction enzymes...
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Cyclic voltammetry curves of the V2O5 nanorods (Na-ion batteries)
Dane BadawczeThe DataSet contains the next thirty cycles voltammetry curves for the V2O5 nanorods obtained by the sol-gel method. The cyclic voltammetry was measured using the AUTOLAB 302N potentiostat-galvanostat. The measurements were carried out in a voltage range of 2 V to 4 V vs. Na/Na+ at a scan rate of 1 mV/s. As an electrolyte 1M NaPF6 was applied.
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Cyclic voltammetry curves of the V2O5 nanorods (Li-ion batteries)
Dane BadawczeThe DataSet contains the next thirty cycles voltammetry curves for the V2O5 nanocrystals obtained by the sol-gel method. The cyclic voltammetry was measured using the AUTOLAB 302N potentiostat-galvanostat. The measurements were carried out in a voltage range of 2 V to 4 V vs. Li/Li+ at a scan rate of 1 mV/s. The results show that in the subsequent cycles,...
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Cyclic voltammetry curves of the V2O5 nanocrystals (Na-ion batteries)
Dane BadawczeThe DataSet contains the next thirty cycles voltammetry curves for the V2O5 nanocrystals obtained by the sol-gel method. The cyclic voltammetry was measured using the AUTOLAB 302N potentiostat-galvanostat. The measurements were carried out in a voltage range of 2 V to 4 V vs. Na/Na+ at a scan rate of 1 mV/s. As an electrolyte 1M NaPF6 was applied.
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Cyclic voltammetry curves of the V2O5 nanocrystals (Li-ion batteries)
Dane BadawczeThe DataSet contains the next thirty cycles voltammetry curves for the V2O5 nanocrystals obtained by the sol-gel method. The cyclic voltammetry was measured using the AUTOLAB 302N potentiostat-galvanostat. The measurements were carried out in a voltage range of 2 V to 4 V vs. Li/Li+ at a scan rate of 1 mV/s. The results show that in the subsequent cycles,...
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Different molecular organization of two carotenoids, lutein and zeaxanthin, in human colon epithelial cells and colon adenocarcinoma cells
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Monika Wilamowska-Zawłocka dr hab. inż.
OsobyDr hab. inż. Monika WILAMOWSKA-ZAWŁOCKA jest absolwentką Wydziału Chemicznego Politechniki Gdańskiej. Studia doktoranckie ukończyła w 2011 r., następnie odbyła roczny staż na Technicznym Uniwersytecie w Darmstadt w Niemczech. Pracuje w Politechnice Gdańskiej od 2013 r., od 2019 r. na stanowisku profesora uczelni. Specjalność –materiały elektrodowe w zastosowaniu do ogniw litowo-jonowych, sodowo-jonowych, kondensatorów elektrochemicznych...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublikacjaTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublikacjaAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state
PublikacjaHuman immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...
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SOLVENT EXTRACTION AND ION EXCHANGE
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Edyta Gołąb-Andrzejak dr hab.
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Pharmacological Classification and Activity Evaluation of Furan and Thiophene Amide Derivatives Applying Semi-Empirical ab initio Molecular Modeling Methods
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublikacjaDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Molecular and structural basis of inner core lipopolysaccharide alterations in Escherichia coli: incorporation of glucuronic acid and phosphoethanolamine in the heptose region.
PublikacjaIt is well established that lipopolysaccharide (LPS) often carries nonstoichiometric substitutions in lipid A and in the inner core. In this work, the molecular basis of inner core alterations and their physiological significance are addressed. A new inner core modification of LPS is described, which arises due to the addition of glucuronic acid on the third heptose with a concomitant loss of phosphate on the second heptose. This...
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Electrochemical Recognition of Aromatic Species with Ferrocenylated 1,3,5‐Triazine‐ or 1,3,5‐Triphenylbenzene‐Containing Highly Organized Molecules
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Stable nanoconjugates of transferrin with alloyed quaternary nanocrystals Ag–In–Zn–S as a biological entity for tumor recognition
PublikacjaOne way to limit the negative effects of anti-tumor drugs on healthy cells is targeted therapy employing functionalized drug carriers. Here we present a biocompatible and stable nanoconjugate of transferrin anchored to Ag-In-Zn-S quantum dots modified with 11-mercaptoundecanoic acid (Tf-QD) as a drug carrier versus typical anticancer drug, doxorubicin. Detailed investigations of Tf-QD nanoconjugates without and with doxorubicin...
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Developing a Low SNR Resistant, Text Independent Speaker Recognition System for Intercom Solutions - A Case Study
PublikacjaThis article presents a case study on the development of a biometric voice verification system for an intercom solution, utilizing the DeepSpeaker neural network architecture. Despite the variety of solutions available in the literature, there is a noted lack of evaluations for "text-independent" systems under real conditions and with varying distances between the speaker and the microphone. This article aims to bridge this gap....
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublikacjaDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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Molecular and structural characteristics of cod gelatin films modifiedwith EDC and TGase
PublikacjaCod gelatin films before and after cross-linking of gelatin with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) or transglutaminase (TGase) have been characterized by FT-IR spectroscopy and DSC analysis. For comparison, a film prepared from unmodified pig gelatin has been also analysed. The difference spectra showed that cod gelatin during the film formation involved first of all water-to-amide hydrogen bonds, and the film...
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Molecular Profiling for Predictors of Radiosensitivity in Patients with Breast or Head-and-Neck Cancer
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Structure and Molecular Dynamics in Renewable Polyamides from Dideoxy-Diamino Isohexide
PublikacjaThe chemical structure, the conformation, andthe flexibility of the polymer chain fragments present in thepolyamides synthesized from 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydrosorbitol, 1,4-diaminobutane, and either sebacic orbrassylic acid have been studied by liquid-state 2D NMRspectroscopy viz. correlation spectra (COSY) and heteronuclearmultiple-bond correlation spectra (gHMBC), by 13Ccross-polarization/magic-angle spinning...
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Study of the transport properties of a molecular junction as a function of the distance between the leads
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Molecular epidemiology of chronic hepatitis B virus infection in northern Poland
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Molecular self-assembly and optical activity of chiral thionooxalamic acid esters
PublikacjaZsyntezowano kilka optycznie czynnych estrów dietylowych kwasu bis(tiooksamowego). Związki te, z powodu ich zdolności do tworzenia ze sobą komplementarnych cyklicznych wiązań wodorowych, są potencjalnie użytecznym materiałem budulcowym większych układów supramolekularnych. Odpowiednie układy modelowe otrzymano z optycznie czynnych 1,2-diamin, które poddano acylowaniu chlorooksooctanem etylu, a następnie otrzymane półprodukty tionowano...
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Interactions of amphotericin B derivatives with lipid membranes - a molecular dynamics study
PublikacjaW pracy analizowano oddziaływanie dwóch nisko-toksycznych pochodnych amfoterycyny B (związki SAmE i PAmE) z modelami błon lipidowych. Badania wykonane zostały za pomocą dynamiki molekularnej. Modele błon oprócz fosfolipidów DMPC zawierały odpowiednio cholesterol (model błony zwierzęcej) lub ertosterol (model błony grzybowej). Analiza wyników wykazała, że obie pochodne amfoterycyny B zachowują się inaczej w błonie cholesterolowej...
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Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems
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Selected molecular and microfluidic aspects of mammalian oocyte maturation-perspectives: a review
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Simulation of the Opening and Closing of Hsp70 Chaperones by Coarse-Grained Molecular Dynamics
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