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Wyniki wyszukiwania dla: FRACTIONAL DERIVATIONS
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An facile Fortran-95 algorithm to simulate complex instabilities in three-dimensional hyperbolic systems
Dane BadawczeIt is well know that the simulation of fractional systems is a difficult task from all points of view. In particular, the computer implementation of numerical algorithms to simulate fractional systems of partial differential equations in three dimensions is a hard task which has no been solved satisfactorily. Here, we provide a Fortran-95 code to solve...
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CLINICAL PHYSIOLOGY AND FUNCTIONAL IMAGING
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Speciation of heavy metals in bottom sediments of a drinking water reservoir for Gdańsk, Poland – changes over the 14 years
PublikacjaThere was conducted a comparative study of the concentrations of heavy metals (Zn, Cu, Pb, andCd) in the surface layer of sediments collected in two investigation periods: 1999–2000 and 2013.The results demonstrated that the degree of metals pollution decreased over time. The contaminationfactors (Cf) calculated for Zn, Cu, Pb, and Cd were respectively 3.63, 3.86, 3.23, and 3.25 in thefirst period of...
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A comparative study of sequential extraction methods for identification of trace elements fractions (Cr, Ni, Pb, Cd) in urban soils from several parks
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Non-Typical Fluorescence Effects and Biological Activity in Selected 1,3,4-thiadiazole Derivatives: Spectroscopic and Theoretical Studies on Substituent, Molecular Aggregation, and pH Effects
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Quantitative structure—retention relationships of some steroid and phenanthrene derivatives on cyano-, reversed-phase, and normal-phase thin-layer chromatography stationary phases
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Acid-base properties of 3-[2-(n-quinolinyl)benzoxazol-5-yl]alanine derivatives in the ground and excited state. Experimental and theoretical studies
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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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Method development and validation for optimized separation of quercetin derivatives in selected Potentilla species using high-performance thin-layer chromatography photodensitometry method
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: their in silico assessment as potential ligands for N-protein of SARS-CoV-2
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Synthesis of 3-indolylmethyl substituted (pyrazolo/benzo)triazinone derivatives under Pd/Cu-catalysis: Identification of potent inhibitors of chorismate mutase (CM)
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Design and synthesis of novel arylurea derivatives of aryloxy(1-phenylpropyl) alicyclic diamines with antimicrobial activity against multidrug-resistant Gram-positive bacteria
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New domino reaction. One pot synthesis of 4,7-dihydroxythioaurone derivatives from benzaldehydes and 4-acetyl-2-oxo-benz[1,3]oxathiole
PublikacjaDogodna metoda syntezy pochodnych 4,7-dihydroksytioauronów poprzez rekcję typu ''one pot'' aldehydu benzoesowego z 4-acetylo-2-oxo-benz[1,3]oxatiolem i octanem piperydyny w środowisku DMSO. Strukturę związku udowodniono metodami NMR. Układ tioauronowy powstaje w wyniku trzech kolejnych reakcji: otwarcia pierścienia oksatiolonowego, utleniania powstałego ugrupowania merkaptanowego i kondensacji z aldehydem benzoesowym.
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Studies on removal of Zn(II), Cd(II) and Pb(II) ions in polymer inclusion membrane transport with calix[4]-crown-6 derivatives
PublikacjaZbadano selektywność procesu wydzielania jonów cynku(II), kadmu(II) i ołowiu(II) z wodnych roztworów azotanowych zawierających równomolową mieszaninę tych trzech metali (cMe= 0,01 M) w procesie transportu przez polimerowe membrany inkluzyjne (PIM) przy użyciu w roli przenośników jonów pochodnych kaliks[4]-korony-6. Membrany typu PIM syntezowano z trójoctanu celulozy (nośnik), eteru o?nitrofenylopentylowego (pastyfikator) i pochodnych...
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Investigation of poly(3,4-ethylenedioxythiophene) deposition method influence on properties of ion-selective electrodes based on bis(benzo-15-crown-5) derivatives
PublikacjaGlassy carbon electrodes modified by conductive polymers and membrane with derivatives of bis(benzo-15-crown-5) were tested as solid contact ion selective electrodes for K+ ions concentration determination. PEDOT with PSS, Cl- and ClO4- counter ions was electrochemically deposited onto glassy carbon substrates using four different electrochemical approaches (potentiostatic, galvanostatic, potentiodynamic and potentiostatic pulses)....
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Isolation of xanthone and benzophenone derivatives from Cyclopia genistoides (L.) Vent. (honeybush) and their pro-apoptotic activity on synoviocytes from patients with rheumatoid arthritis
PublikacjaA fast and efficient method for the isolation of the C-glucosidated xanthones mangiferin and isomangiferin from the South-African plant Cyclopia genistoides was developed for the first time. Two benzophenone derivatives: 3-C-β-glucosides of maclurin and iriflophenone, were isolated from C. genistoides extracts using semi-preparative. The structures of the compounds were determined by 1D and 2D NMR experiments and/or LC-DAD-ESI–MS.
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublikacjaOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Novel 2-alkythio-4-chloro-N-[imino(heteroaryl)methyl]benzenesulfonamide Derivatives: Synthesis, Molecular Structure, Anticancer Activity and Metabolic Stability
PublikacjaA series of novel 2-alkythio-4-chloro-N-[imino-(heteroaryl)methyl]benzenesulfonamide derivatives, 8–24, were synthesized in the reaction of the N-(benzenesulfonyl)cyanamide potassium salts 1–7 with the appropriate mercaptoheterocycles. All the synthesized compounds were evaluated for their anticancer activity in HeLa, HCT-116 and MCF-7 cell lines. The most promising compounds, 11–13, molecular hybrids containing benzenesulfonamide...
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Solid-Contact Ion-Selective Electrodes with Highly SelectiveThioamide Derivatives of p-tert-Butylcalix[4]arene for theDetermination of Lead(II) in Environmental Samples
PublikacjaThioamide derivatives of p-tert-butylcalix[4]arene were used as ionophores in the development of solid-contact ion-selective electrodes based on conducting polymer poly(3,4-ethylenedioxythiophene)/polystyrene sulfonate (PEDOT/PSS) which was synthesized by electrodeposition on the glassy carbon electrodes. The typical ion-selective membranes with optionally two different plasticizers [bis(2-ethylhexyl)sebacate (DOS) and 2-nitrophenyl...
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: Their in silico assessment as potential ligands for N-protein of SARS-CoV-2
PublikacjaIn view of recent global pandemic the 3-alkynyl substituted 2-chloroquinoxaline framework has been explored as a potential template for the design of molecules targeting COVID-19. Initial in silico studies of representative compounds to assess their binding affinities via docking into the N-terminal RNA-binding domain (NTD) of N-protein of SARS-CoV-2 prompted further study of these molecules. Thus building of a small library of...
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Electrostatic self-assembly approach in the deposition of bio-functional chitosan-based layers enriched with caffeic acid on Ti-6Al-7Nb alloys by alternate immersion
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Instrumentation optical fibres for wave transformation, signal processing, sensors, and photonic functional components, manufactured at Białystok University of Technology in Dorosz Fibre Optics Laboratory
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MAX phase ternary carbide derived 2-D ceramic nanostructures [CDCN] as chemically interactive functional fillers for damage tolerant epoxy polymer nanocomposites
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Functional safety and cyber security analysis for life cycle management of industrial control systems in hazardous plants and oil port critical infrastructure including insurance
PublikacjaThis report addresses selected methodological aspects of proactive reliability, functional safety and cyber security management in life cycle of industrial automation and control systems (IACS) in hazardous plants and oil port critical installations based on the analysis of relevant hazards / threats and evaluation of related risks. In addition the insurance company point of view has been also considered, because nowadays the insurer,...
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Analysis of volatile fraction of sweetie (Citrus maxima × Citrus paradisi) and its parent fruit using proton transfer reaction mass spectrometry
PublikacjaThe quality of the fruit is affected by several main ingredients and the aroma plays a fundamental role during the selection of fruit by consumers. In the case where several fruit have similar aromas and only one of them has specific health properties, it is very important to find the differences in the volatile organic compounds (VOCs) composition to distinguish these samples. Such situations are often found for hybrid fruit....
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Integracja narzędzi do zarządzania wymaganiami oraz zarządzania projektem na przykładzie IBM Rational Requirements Composer i Team Concert
PublikacjaInżynieria wymagań jest jednym z najistotniejszych elementów przedsięwzięcia informatycznego, w szczególności programistycznego.
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Sum-over-state expressions including second-order Herzberg–Teller effects for the calculation of absorption and resonance Raman intensities
PublikacjaThe sum-over-state expressions are derived to calculate the second-order Herzberg–Teller (HT) effects in absorption and resonance Raman spectroscopies. These effects depend on the second derivatives of the transition dipole moment with respect to the vibrational coordinates. The method is applied to the molecule of 1,3-butadiene using density functional theory calculations. It is found that the second-order HT effects are significant...
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Facilitated transport of Zn(II), Cd(II) and Pb(II) ions trough polymer inclusion membranes with calix[4]-crown-6 derivaties
PublikacjaBadano transport mieszaniny równomolowych ilości jonów Zn(II), Cd(II) i Pb(II)z wodnej fazy azotanowej (cMe=0,001M) przez polimerowe membrany inkluzyjne(PIM) zawierające pochodne kaliks[4]korony-6 jako nośniki jonów. Badany był wpływ różnych podstawników na wydajność procesu. Selektywność transportu przez membrany zawierające jonofory 4 i 5 malała w kolejności Pb(II), Zn(II), Cd(II), natomiast z jonoforem 3 Pb(II), Zn(II)Cd(II)....
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Functional Materials
Kursy OnlinePrerequisites: The course is primarily open to all PhD students at Gdansk University of Technology. This course is compulsory for PhD students assigned to Automation, Electronics, Electrical Engineering and Space Technologies tracks at Doctoral School at Gdańsk University of Technology Content During the course students will learn about different classes of intelligent materials and a strong emphasis will be placed on their practical...
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Solid-Contact Ion-Selective Electrodes with Highly Selective Thioamide Derivatives of p-tert-Butylcalix[4]arene for the Determination of Lead(II) in Environmental Samples
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Syntheses and crystal structures of lithium derivatives of diphosphanes R2P-P(SiMe3)Li·3L, R = Ph, iPr and iPr2N, L = THF or DME
PublikacjaW wyniku reakcji R2P-P(SiMe3)2 z BuLi w THF lub DME powstają pochodne litowe difosfanów R2P-P(SiMe3)Li·3L. Dla R = iPr oraz iPr2N powstają sole R2P-P(SiMe3)Li·3THF, w których atom litu jest czterokrotnie koordynowany a dla R = Ph powstaje sól [Li·3DME]+[Ph2P-PSiMe3]-, która posiada budowę jonową. W reakcji BuLi z Ph2P-P(SiMe3)2 powstają znaczne ilości produktów ubocznych: Ph2P-PPh2 i LiP(SiMe3)2.
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Hydrophobic derivatives of 2-amino-2-deoxy-D-glucitol-6-phosphate: a newtype of D-glucosamine-6-phosphate synthase inhibitors with antifungal action.
PublikacjaDokonano syntezy szeregu N-acylowych i estrowych pochodnych 2-amino-2-deok-sy-glucitolo-6-fosforanu (ADGP) i zbadano ich aktywność przeciwgrzybową oraz wobec enzymów zaangażowanych we wczesne etapy biosyntezy chityny w komórkach grzybów. Wszystkie badane pochodne okazały się słabszymi inhibitorami enzymu syntezy GlcN-6-P aniżeli ADGP, ale niektóre z nich wykazywały znacznie wyższą aktywność przeciwgrzybową niż związek macierzysty....
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Synthesis and biological evaluation of fluorinated N-benzoyl and N-phenylacetoyl derivatives of 3-(4-aminophenyl)-coumarin-7-O-sulfamate as steroid sulfatase inhibitors
PublikacjaIn the present work, we report convenient methods for the synthesis of 3-(4-aminophenyl)-coumarin-7-O-sulfamate derivatives N-acylated with fluorinated analogues of benzoic or phenylacetic acid as steroid sulfatase (STS) inhibitors. The design of these potential STS inhibitors was supported by molecular modeling techniques. Additionally, computational docking methods were used to determine the binding modes of the synthesized inhibitors...
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On the derivatives $\partial^{2}P_{\nu}(z)/\partial\nu^{2}$ and $\partial Q_{\nu}(z)/\partial\nu$ of the Legendre functions with respect to their degrees
PublikacjaWe provide closed-form expressions for the degree-derivatives $[\partial^{2}P_{\nu}(z)/\partial\nu^{2}]_{\nu=n}$ and $[\partial Q_{\nu}(z)/\partial\nu]_{\nu=n}$, with $z\in\mathbb{C}$ and $n\in\mathbb{N}_{0}$, where $P_{\nu}(z)$ and $Q_{\nu}(z)$ are the Legendre functions of the first and the second kind, respectively. For $[\partial^{2}P_{\nu}(z)/\partial\nu^{2}]_{\nu=n}$, we find that % \begin{displaymath} \frac{\partial^{2}P_{\nu}(z)}{\partial\nu^{2}}\bigg|_{\nu=n} =-2P_{n}(z)\Li_{2}\frac{1-z}{2}+B_{n}(z)\ln\frac{z+1}{2}+C_{n}(z), \end{displaymath} % where...
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Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition
PublikacjaFat mass and obesity-associated (FTO) protein contributes to non-syndromic human obesity which refers to excessive fat accumulation in human body and results in health risk. FTO protein has become a promising target for anti-obesity medicines as there is an immense need for the rational design of potent inhibitors to treat obesity. In our study, a new scaffold N-phenyl-1H-indol-2-amine was selected as a base for FTO protein inhibitors...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublikacjaPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublikacjaA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
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New potent steroid sulphatase inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives
PublikacjaIn the present work, we report a new class of potent steroid sulphatase (STS) inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives. Within the set of new STS inhibitors, 6-(1-(1,2,3-trifluorophenyl)-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate 3L demonstrated the highest activity in the enzymatic assay inhibiting the STS activity to 7.98% at 0.5 µM concentration. Furthermore, to verify...
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Cellulose and its derivatives, coffee grounds, and cross-linked, β-cyclodextrin in the race for the highest sorption capacity of cationic dyes in accordance with the principles of sustainable development
PublikacjaIn this study, seven different materials were analyzed and includes coffee grounds (CG), two types of cellulose (CGC and CC), two types of modified cellulose (CT and CTCD), and cross-linked β-cyclodextrin (CD-1 and CD-2) were tested as adsorbents for the removal of dyes from the wastewater. The composition, morphology, and presence of functional groups in the obtained sorption materials were characterized by elemental analysis,...
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Reliability data safety instrumented systems SIS from the functional safety analysis example critical instalation
Dane BadawczeThe dataset represents the results of an example of functional safety analysis systems is presented below. It is based on a control system, which consists of some basic components like sensors, programmable logic controllers and valves. It is a part of petrochemical critical installations. The communication between sensor logic controllers and actuators...
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Pro-apoptotic action of protein-carbohydrate fraction isolated from coelomic fluid of the earthworm Dendrobaena veneta against human colon adenocarcinoma cells
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Ewa Wagner-Wysiecka dr hab. inż.
OsobyEwa Wagner-Wysiecka absolwentka Wydziału Chemicznego PG (Kierunek Technologia Chemiczna, kierunek dyplomowania: Technologia Nieorganiczna, specjalność: Analityka Techniczna i Przemysłowa). Pracę magisterską pt. ”Identyfikacja zanieczyszczeń występujących w farmakopealnej sulfachinoksalinie” zrealizowała pod kierunkiem prof. dr hab. inż. Jana F. Biernata. Po ukończeniu studiów magisterskich (1997 r.) rozpoczęła studia doktoranckie....
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Absorbing Boundary Conditions Derived Based on Pauli Matrices Algebra
PublikacjaIn this letter, we demonstrate that a set of absorbing boundary conditions (ABCs) for numerical simulations of waves, proposed originally by Engquist and Majda and later generalized by Trefethen and Halpern, can alternatively be derived with the use of Pauli matrices algebra. Hence a novel approach to the derivation of one-way wave equations in electromagnetics is proposed. That is, the classical wave equation can be factorized...
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International Workshop on Functional and Constraint Logic Programming
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The New Test Procedure for Group-Type Composition of Base Oils of Lubricating Oils, Especially Emitted into the Environment
PublikacjaMineral base oil, a product of multistep fine refining of the relevant fractions from vacuum distillation of crude oil, is a main component of so-called mineral lubricating oils containing aliphatic and alicyclic substituted aromatic hydrocarbons, i.e., derivatives of benzene and biphenyl. Mineral lubricating oil is composed mostly of mineral base oil and a low amount of enriching additives, most often products of advanced organic...
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Statement of FUS revenues and costs (in PLN thousand) in the first half of 2020
Dane BadawczeIn the period from January to June 2020. The fund's expenditure amounted to PLN 130.0 billion, while revenues from premiums and their derivatives amounted to PLN 92.2 billion. As a result, in the first half of this year, the degree of coverage of expenses with revenues from premiums and their derivatives amounted to. the level of 70.9 percent (a decrease...
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Gracjana Klein-Raina dr hab.
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Antibody reactivity in patients with IgE-mediated wheat allergy to various subunits and fractions of gluten and non-gluten proteins from ω-gliadin-free wheat genotypes
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Photodynamic therapy with 5-aminolevulinic acid and diamino acid derivatives of protoporphyrin IX reduces papillomas in mice without eliminating transformation into squamous cell carcinoma of the skin
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Structural Factors Affecting Cytotoxic Activity of (E)-1-(Benzo[d ][1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-one Derivatives
PublikacjaDerivatives of (E)-1-(5-alkoxybenzo[d][1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-one (1) demonstrated exceptionally high in vitro cytotoxic activity, with IC50 values of the most active derivatives in the nanomolar range. To identify structural fragments necessary for the activity, several analogs deprived of selected fragments were prepared, and their cytotoxic activity was tested. It was found that the activity depends on combined effects...