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Simulation of Parallel Applications on Large-scale Distributed Systems
PublikacjaThis chapter has a form of a review article in the field of simulating High-Performance Computing systems. We justify the need for a new versatile simulator considering heterogeneity, energy efficiency and reliability of HPC systems. We sketch the problems that need to be solved by such simulator and rationalize using discrete-event simulation for this purpose. Based on a review of existing discrete-event HPC simulation solutions...
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Data-driven models for fault detection using kernel pca:a water distribution system case study
PublikacjaKernel Principal Component Analysis (KPCA), an example of machine learning, can be considered a non-linear extension of the PCA method. While various applications of KPCA are known, this paper explores the possibility to use it for building a data-driven model of a non-linear system-the water distribution system of the Chojnice town (Poland). This model is utilised for fault detection with the emphasis on water leakage detection....
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Ontology Oriented Approach to Service Selection and Invocation in Complex Context Analysis
PublikacjaContext-aware applications running in the intelligent space are taken into account and their execution in the service oriented environment is considered. It has been presented where and how SOA services can be utilized during their execution: to analyze current context of the application and to support execution of strictly determined actions suitable for that context. The proposed mechanism of context-aware service selection and...
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Styrene Oxidation by Copper(II) Complexes Salen-Type Encapsulated into Nay Zeolite
PublikacjaThe copper(II) complex with a Schiff-base salen-type ligand has been encapsulated in the nanopores of a NaY zeolite by using two different methodologies, the flexible ligand and in situ complex preparation methods. The encapsulated and non-encapsulated copper(II) complexes were screened as catalysts for styrene oxidation by using TBHP as the oxygen source in acetonitrile solvent. Under the optimized conditions, the catalysts exhibited...
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Earthquake–induced pounding on response of adjacent structures in series: experimental and numerical study
PublikacjaPounding between structures in series during earthquakes may cause serious damage in the structur-al elements. The aim of this paper is to show the results of an experimental and numerical study that is focused on pounding between more than two structures which may be called "structures in series". In this study, the shaking table experiments, as well as the numerical analyses, were performed using three tower models including...
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Radio Channel Measurements in Off-Body Communications in a Ferry Passenger Cabin
PublikacjaThis paper presents an off-body radio channel measurements in a ferry passenger cabin at 2.45 GHz band, for static sleeping scenarios with different body orientation and on-body antennas placements, and also for upper and lower sleeping berths. The measurements have been performed with two types of on-body wearable receiving antennas: FlexPIFA (flexible planar inverted F antenna), and FlexNotch (flexible adhesive-backed notch antenna)...
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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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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublikacjaC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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Synthesis of amides under microwave irradiation
PublikacjaAmides belong to the most important carboxylic acid derivatives. They are constituents of natural compounds like peptides and proteins. They found applications in many branches of science and industry, especially in pharmaceutical and polymer science. Conventional procedures for amide preparation involve reaction between amine and carboxylic acid or their more active derivatives such as acid chlorides, acid anhydrides or esters....
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Antimicrobial molecular nanocarrier–drug conjugates
PublikacjaMany antimicrobial drugs are poorly active against pathogenic microbes causing intracellular infections, such as Mycobacterium tuberculosis or Plasmodium falciparum. On the other hand, several known antimicrobial agents are not effective enough because of their limited cellular penetration. A common feature of both challenges is the inability of an active agent to cross the biological membrane(s). One of the possible approaches...
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Supporting First Year Students Through Blended-Learning - Planning Effective Courses and Learner Support
PublikacjaHigher education has been actively encouraged to find more effective and flaxible delivery models to provide all students with access to good quality learning experiences. This paper describes students opinion about using e-learning techniques and their participation in courses provided in different ways as additional help and expectations of first year students.
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Improving flexibility and performance of PVM applications by distributed partial evaluation
PublikacjaA new framework for developing both flexible and efficient PVM applications is described. We propose Architecture Templates Interface (ATI) that allows to control application granularity and parallelism. To ensure high application efficiency we extend partial evaluation strategy into domain of distributed applications obtaining Distributed Partial Evaluation (DPE). Both ATI and DPE were implemented using a new distributed programming...
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The Urbanity Phenomenon – Tradition and New Cultural Iterations
PublikacjaCities that have managed to survive and rebuild lost urbanity do not close themselves towards new forms that are largely generated by culture. People are increasingly organized around common, local goals. They want to live in cities that open themselves up to differences, with culture as a tool for the revitalization of urbanity. Flexible management methods, tailored to the context and new needs, are therefore emphasized. Nowadays,...
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Low-Molecular-Weight Aldehyde Inhibitors of Cathepsin G
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Design of serine proteinase inhibitors by combinatorial chemistry using trypsin inhibitor SFTI‐1 as a starting structure
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Designing of Substrates and Inhibitors of Bovine α-Chymotrypsin with Synthetic Phenylalanine Analogues in Position P1
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Synthesis of conjugates of MDP and nor-MDP linked to tuftsin derivatives as potential immunomodulators
PublikacjaZsyntetyzowano nowe koniugaty muramylodipeptydu (MDP) i nor-muramylo-dipeptydu (nor-MDP) z pochodnymi tuftsyny zawierającymi wiązanie izopeptydowe na epsilon-aminowej grupie lizyny jako potencjalne immunomodulatory. Do syntezy wykorzystano metodę mieszanych bezwodników z chloromrówczanem izobutylu i N-metylomorfoliną w bezwodnym DMF. Końcowe produkty charakteryzowno za pomocą NMR, analizy elementarnej i analizy aminokwasowej na...
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Solid phase synthesis and biological activity of linear tuftsin and retro-tuftsin derivatives
PublikacjaPrzedstawiono syntezę na fazie stałej nowych pochodnych tuftsyny i retro-tuftsyny i ich mikrobiologiczne właściwości. Otrzymane pochodne zawierały wiązanie izopeptydowe między epsilon-aminową grupą lizyny a takimi aminokwasami jak: Ala, beta-Ala, Val, Ile, Gly.
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Solid phase synthesis of conjugates of tuftsin analogues with 1-nitro-acridine derivatives
PublikacjaZsyntetyzowano na fazie stałej koniugaty 1-nitro-akrydyny z pochodnymi tuftsyny modyfikowanymi na grupie epsilon-aminowej lizyny prostymi aminokwasami, np. alaniną, valiną, beta-alaniną. Końcowe produkty były charakteryzowane za pomocą MS, NMR, analizy elementarnej i przekazane do badań ich aktywności przeciwnowotworowej.
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Solid phase synthesis of 4,5,8-trihydroxy-9,10-anthraquinone-1-yl-(tuftsin or retro-tuftsin) derivatives
PublikacjaPrzedstawiono syntezę na fazie stałej połączeń leuko-1,4,5,8-tetra-hydroksyantrachinonów z pochodnymi tuftsyny i retro-tuftsyny zawierającymi wiązanie izopeptydowe. Do syntezy wykorzystano standardową metodę Fmoc i DIC jako odczynnik aktywujący.
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Synthesis, activity on NK-3 tachykinin receptor and conformational solution studies of scyliorhinin II analogs modified at position 16
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part II: studies in the SDS micelle
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Vasopressin V2 receptor/bioligand interactions
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Conformation-activity relationships ofcyclo-constrained µ/δ opioid agonists derived from theN-terminal tetrapeptide segment of dermorphin/deltorphin
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Solution conformational study of Scyliorhinin I analogues with conformational constraints by two-dimensional NMR and theoretical conformational analysis
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Computer modeling of the solution conformation of cyclic enkephalins
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Molecular Simulations of Rhodopsin Tetrameter
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Deltorphin analogs restricted via a urea bridge: structure and opioid activity
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Conformational studies of neurohypophyseal hormones analogues with glycoconjugates by NMR spectroscopy
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Synthesis, biological activity and conformational analysis of head-to-tail cyclic analogues of LL37 and histatin 5
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Solution conformations of bradykinin antagonists modified with CαCα cyclized nonaromatic residues
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Interactions of vasopressin and oxytocin receptors with vasopressin analogues substituted in position 2 with 3,3′-diphenylalanine - a molecular docking study
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Conformational studies of highly potent 1-aminocyclohexane-1-carboxylic acid substituted V2 vasopressin agonists
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Effect of head-to-tail cyclization on conformation of histatin-5
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part I: studies in water
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Therapy-Related Changes in the Serum Proteome Patterns of Early Stage Breast Cancer Patients with Different Outcomes
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Conformational latitude – activity relationship of KPPR tetrapeptide analogues toward their ability to inhibit binding of vascular endothelial growth factor 165 to neuropilin‐1
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Novel analogues of bradykinin conformationally restricted in the C-terminal part of the molecule
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Analogues of Trypsin Inhibitor SFTI-1 with Disulfide Bridge Substituted by Various Length of Carbonyl Bridges
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Chemical modification of natural immunomodulators tuftsin and muramyl dipeptide significantly influence their biological activity
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Conjugates of tuftsin and muramyl dipeptide as stimulators of monocyte-derived dendritic cells
PublikacjaOstatnio coraz częściej bada się związki oddziałujące na komórki dendrytyczne. Muramylodipeptyd i jego analogi przyspieszają dojrzewanie i aktywację komórek dendrytycznych. Do naszych badań otrzymaliśmy komórki dendrytyczne na drodze ekspansji z monocytów krwi obwodowej. Właściwa suplementacja hodowli monocytów czynnikami wzrostowymi - GM-CSF i IL-4, pozwoliła na uzyskanie niedojrzałych komórek dendrytycznych, które stymulowano...
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Molecular Modeling of the Neurohypophyseal Receptor/Atosiban Complexes
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Theoretical conformational analysis of six arginine vasopressin analogs with the l -naphthylalanine in position 3
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Molecular Dynamics Study of the Internal Water Molecules in Vasopressin and Oxytocin Receptors
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Molecular dynamics simulation of human neurohypophyseal hormone receptors complexed with oxytocin—modeling of an activated state
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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
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New conjugates of tuftsin and muramyl dipeptide as stimulators of human monocytes-derived dendritic cells
PublikacjaMuramyl dipeptide (MDP) and tuftsin are known biologically active compound displaying a significant influence on various cell populations of innate immune response. MDP, as a fragment of bacterial cell wall, stimulates not only macrophages and monocytes, but also dendritic cells. In contrast, little is known about tuftsin influence on these cells. Therefore it seemed vital to access whether tuftsin or its derivatives conjugated...
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Synthesis of analogues of anthraquinones linked to tuftsin or retro-tuftsin residues as potential topoisomerase inhibitors
PublikacjaZsyntetyzowano 10 nowych analogów antrachinonów z pochodnymi tuftsyny i retro-tuftsyny jako potencjalne inhibitory topoizomerazy. Substratem wyjściowym były zsyntetyzowane 1,4-, 1,5- i 1,8-bis(tosyloksy)-9,10-antrachinony oraz odpowiednio chronione pochodne tuftsyny i retro-tuftsyny, które otrzymano metodą mieszanych bezwodników z zastosowaniem chloromrówczanu izobutylu i NMM. Reakcje prowadzone były w acetonitrylu pod azotem w...
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The immunological properties, cytotoxic effect and antimicrobial activities of novel analogues of edeine antibiotics
PublikacjaOpisano syntezę kilku nowych analogów edein a i d z zastosowaniem klasycznych metod syntezy peptydów w roztworze oraz przedstawiono wyniki badań cytotoksycznych na kilku liniach komórek ludzkich oraz wyniki badań mikrobiologicznych w stosunku do bakterii gramododatnich i gramoujemnych. Opisano również wyniki badań immunologicznych na modelu myszy.
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Synthesis of anthraquinone-tuftsin analogues as potential topoisomerase inhibitors
PublikacjaZaprezentowano syntezę nowych analogów antrachinonów z pochodnymi tuftsyny i retro-tuftsyny oraz wstępne badania biologiczne (aktywność cytotoksyczną na wybranych liniach nowotworowych oraz zdolność hamowania topoizomerazy I).