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Search results for: magnetic resonance imaging
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ID and 2D Electron Spin Resonance Imaging (ESRI) of Nitroxide Radicals in Stabilized Poly(acrylonitrile−butadiene−styrene) (ABS): UV vs Thermal Degradation
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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Dataset for systematic literature review about phosphorus magnetic resonance spectroscopy (31 P MRS).
Open Research DataThe file contains the publications retrived for systematic literature review from sleceted databases: Web of Science Core Collection, Scopus, Chochrane Library, and Pubmed. Records were identified by using nesting technique. Our search log stated as follow: "phosphorus" AND ("mri spectroscopy" OR "31P MRS").
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Ferromagnetic nanoparticles imaging by means of Magnetic Force Microscopy
Open Research DataFerromagnetic nanoparticles can be used as building blocks for advanced thin film magnets, and can also be used in data storage and biomedical technologies. Nano-crystalline ferrites with the chemical formula NixZn (1 - x) Fe2O4, where x = 0, 0.2, 0.4, 0.6, 0.8, 1.0 show anti-corrosion properties and suppress electromagnetic interference, in the case...
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Nuclear Magnetic Resonance data for the synthesis of esterase cleavable antifungal conjugates containing fatty acids as molecular carriers
Open Research DataNMR data for novel organic compounds - conjugates composed of C2-18 fatty acid (FA) residues as a molecular carrier and 5-fluorocytosine (5-FC) as an active agent, released upon the action of intracellular esterases on the ester bond between FA and “trimethyl lock” intramolecular linker.
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Deducing 1D concentration profiles from EPR imaging: A new approach based on the concept of virtual components and optimization with the genetic algorithm
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Study of Aliphatic Polyurethanes by the Low-Field 1H NMR Relaxometry Method with the Inversion of the Integral Transformation
PublicationIn this paper, the distributions of the 1H nuclear magnetic resonance (NMR) spin–lattice and spin–spin relaxation times are used to characterize the mobility of different sections of macromolecules of aliphatic polyurethanes and the cross-linking density of polymer chains. The NMR relaxometry method with inversion of integral transformation is applied to study the effect of poly (ethylene glycol) and glycerol phosphate calcium...
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Magnetic Phase Transition and Exchange Bias in $$\hbox {Ni}_{45}\hbox {Co}_{5}\hbox {Mn}_{35.5}\hbox {In}_{14.5}$$ Ni 45 Co 5 Mn 35.5 In 14.5 Heusler Alloy
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Absolute configurations of C34 and C35 of antibiotic niphimycin A
PublicationThe relative configurations of four stereogenic centers of the C33-C42 fragment of niphimycin A were assigned as 2S*, 3R*, 4S* and 6S*, based upon (1)H NMR analysis with double-quantum filtered COSY and nuclear Overhauser spectroscopy experiments. These data were then correlated with absolute configurations at C36 and C38 of niphimycin A, which were declared previously as 36S and 38S [3]. This allowed for the assignment of the...
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Stereostructure of mycoheptin A2
PublicationThe absolute configurations of all the stereogenic centers of the antibiotic mycoheptin A2 were established upon previouslyelaborated general procedure, consisting of DQF-COSY, NOESY, ROESY, HSQC and HMBC experiments as major tools. Thestructure of mycoheptin A2 without stereochemistry of its aglycone has been reported before.
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Spectral assignment and proton transfer studies ofN-(R-salicylidene)-1-amino-1-deoxy-d-sorbitols
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Theoretical analysis of solvent effects on nitrogen NMR chemical shifts in oxazoles and oxadiazoles
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Stereostructure of mycoheptin A2
PublicationThe absolute configurations of all the stereogenic centers of the antibiotic mycoheptin A2 were established upon previously elaborated general procedure, consisting of DQF-COSY, NOESY, ROESY, HSQC and HMBC experiments as major tools. The structure of mycoheptin A2 without stereochemistry of its aglycone has been reported before.
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Correlation between the Reactivity and Spectroscopic Properties of N-Substituted Secondary Thioamides. New Intramolecular N• •H+• •N Binding Approach and Proton Complexes Based on Thioamide Ligation
PublicationFrom a comparison of chem. shifts and wavenumbers of several secondary thioamides and amides having monocationic substituents attached to thiocarbamoyl or carbamoyl groups by a polymethylene chain, new intramol. unconventional N···H+···N H bonding effects were discovered. It is argued that the CH2-N rotation is hindered and two +H···NHMe nonequiv. protons occur in a proton spectrum of hydrochloride RCH2C(S)NH(CH2)3NHMe-HCl...
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The Role of Specific Side Groups and pH in Magnetization Transfer in Polymers
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The Analysis of Hyperfine Shifts of Mono-Ligand High-Spin Cobalt(II) Pyrazolylborate Complexes
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The structure, including stereochemistry, of levorin A1
PublicationThe constitution and stereostructure of levorin A1 1, an aromatic heptaeneantifungal antibiotic, was established on the basis of NMR studies, which contained DQFCOSY,ROESY, HSQC and HMBC experiments. Mycosamine moiety was used as an internalchiral probe to determine the absolute configuration of levorin A1 stereogenic centers: 13S,15R, 17S, 18R, 19S, 21R. The relative configuration of the remaining stereogenic centers wasassigned...
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Absolute configurations of C34 and C35 of antibiotic niphimycin A
PublicationThe relative configurations of four stereogenic centers of the C33-C42 fragment of niphimycin A were assigned as 2S*, 3R*, 4S* and 6S*, based upon 1H NMR analysis with double-quantum filtered COSY and nuclear Overhauser spectroscopy experiments. These data were then correlated with absolute configurations at C36 and C38 of niphimycin A, which were declared previously as 36S and 38S [3]. This allowed for the assignment of the absolute...
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublicationNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...
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Monosaccharides as internal probes for the determination of the absolute configuration of 2-butanol
PublicationD-dlukoza, D-mannoza i L-ramnoza zostały poddane reakcji z mieszaniną racemiczną 2-butanolu. Otrzymane w ten sposób glikozydy były analizowane za pomocą spektroskopii NMR, z wykorzystaniem eksperymentów COSY i NOESY. Analiza konformacyjna wiązania glikozydowego (dokonana w oparciu o modelowanie molekularne i heteronuklearne stałe sprzężenia) wraz z analizą sprzężeń dipolowych obserwowanych w widmie NOESY umożliwiła określenie konfiguracji...
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Reaction of bis[bis(tri-tert-butoxysilanethiolato)cadmium(II)] with 3,5-dimethylpyridine - 113Cd NMR Solution study
PublicationAnaliza 113Cd NMR dla reakcji bis[bis(tri-tert-butoksysilanotiolanu)kadmu(II)] z 3,5-dimetylopirydyną została przeprowadzona w roztworze benzenu-d6 i toluenu-d8. Otrzymane wyniki wskazują, że w roztworze istnieje równowaga pomiędzy powstającymi mieszanymi kompleksami kadmu z ligandami siarkowymi i azotowymi.
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Study of the Effect of Filling Thermoplastic Medical Polyurethane with PVA, PLA or Diatomite on the Relaxation Times Distributions of 1H NMR
PublicationIn this work, to characterize the mobility of diferent sections of the macromole‑ cules of polyurethane (PUR), polyvinyl alcohol (PVA), and polylactic acid (PLA), as well as the density of crosslinks of the polymer chains when using fllers, we used the distributions of spin–lattice and spin–spin relaxation times for the protons. It is shown that the rigidity of the thermoplastic polymers depends on the sizes of the granules of...
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The Effects of Cross-Link Density and Chemical Exchange on Magnetization Transfer in Polyacrylamide Gels
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What are the true volumes of SEGA tumors? Reliability of planimetric and popular semi-automated image segmentation methods
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Molecular Imaging and Nanotechnology—Emerging Tools in Diagnostics and Therapy
PublicationPersonalized medicine is emerging as a new goal in the diagnosis and treatment of diseases. This approach aims to establish differences between patients suffering from the same disease, which allows to choose the most effective treatment. Molecular imaging (MI) enables advanced insight into molecule interactions and disease pathology, improving the process of diagnosis and therapy and, for that reason, plays a crucial role in personalized...
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Brain perfusion imaging with the use of parametric modelling basing on DSC-MRI data
PublicationW pracy do estymacji parametrów perfuzji mózgu: przepływu krwi mózgowej (cerebral blood flow, CBF), objętości krwi mózgowej (cerebral blood volume, CBV) oraz średniego czasu przejścia (mean transit time, MTT) wykorzystano pomiary DSC-MRI (Dynamic Susceptibility Contrast Magnetic Resonance Imaging). W modelowaniu danych MRI zastoswoano model trzykompartmentowy. Przedstawiono i porównano dwa podejścia do identyfikacji modelu różniące...
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Semi-adaptive feedback active control of MRI noise
PublicationA feedback controller is proposed for cancellation of magnetic resonance imaging (MRI) noise. The design of the controller takes into account specific features of the MRI noise signal. Simulation results show that a considerable rejection rate of the MRI noise can be obtained.
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Computational Methods for Liver Vessel Segmentation in Medical Imaging: A Review
PublicationThe segmentation of liver blood vessels is of major importance as it is essential for formulating diagnoses, planning and delivering treatments, as well as evaluating the results of clinical procedures. Different imaging techniques are available for application in clinical practice, so the segmentation methods should take into account the characteristics of the imaging technique. Based on the literature, this review paper presents...
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Optical Magnetometry Based on Nanodiamonds with Nitrogen-Vacancy Color Centers
PublicationNitrogen-vacancy color centers in diamond are a very promising medium for many sensing applications such as magnetometry and thermometry. In this work, we study nanodiamonds deposited from a suspension onto glass substrates. Fluorescence and optically detected magnetic resonance spectra recorded with the dried-out nanodiamond ensembles are presented and a suitable scheme for tracking the magnetic-field value using a continuous...
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Obrazowanie perfuzji mózgu z wykorzystaniem modelowania parametrycznego danych DSC-MRI
PublicationPomiary DSC-MRI (Dynamic Susceptibility Contrast Magnetic Resonance Imaging) zostały wykorzystane w pracy do estymacji parametrów perfuzji mózgu: przepływu krwi mózgowej (cerebral blood flow, CBF), objętości krwi mózgowej (cerebral blood volume, CBV) oraz średniego czasu przejścia (mean transit time, MTT). Zaproponowano model trzykompartmentowy. Przedstawiono i porównano dwa podejścia do identyfikacji modelu na podstawie danych...
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A Fast Method of Separation of the Noisy Background from the Head-Cross Section in the Sequence of MRI Scans
PublicationThe paper presents a new method of removing the noisy background from the sequence of magnetic resonance imaging (MRl) scans. The sequence of scans is required in order to monitor a passage of a contrast agent through the brain tissue. The scans contain the noisy head-cross data and also the noisy background data. The latter has to be removed and excluded from a further analysis. It is achieved by applying some basic morphological...
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Parametric versus nonparametric modelling of dynamic susceptibility contrast enhanced MRI based data
PublicationDynamic tracking of a bolus of a paramagnetic agent (dynamic susceptibility contract - DSC) in MRI (magnetic resonance imaging) measurements is successfully used for assessment of the tissue perfusion and the other features and functions of the brain (i.e. cerebral blood flow - CBF, cerebral blood volume - CBV, mean transit time - MTT). The parametric and nonparametric approaches to the identification of MRI models are presented...
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New method to monitor changes in the subarachnoid width and pial artery pulsation for physiological and clinical research
PublicationThere are several medical conditions associated with brain oedema such as traumatic brain injury, intoxication or tumors. Brain edema and related brain parenchyma expansion may lead to compression and subsequent injury of several brain structures. So far, the only method enabling detection and monitoring of the progress a cerebral oedema in a patient, has been monitoring of intracranial pressure (ICP) with a pressure probe inserted...
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Special techniques and future perspectives: Simultaneous macro- and micro-electrode recordings
PublicationThere are many approaches to studying the inner workings of the brain and its highly interconnected circuits. One can look at the global activity in different brain structures using non-invasive technologies like positron emission tomography (PET) or functional magnetic resonance imaging (fMRI), which measure physiological changes, e.g. in the glucose uptake or blood flow. These can be very effectively used to localize active patches...
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Obrazowanie parametryczne w badaniach mózgu metodami MRI/PET
PublicationCelem tej monografii jest przedstawienie technik obrazowania metodami tomografii rezonansu magnetycznego (MRI - Magnetic Resonance Imaging) i pozytonowej tomografii emisyjnej (PET - Positron Emission Tomography) w kontekście badań dynamicznych mózgu, szczególnie w zakresie syntezy obrazów parametrycznych opisujących jakościowo lub ilościowo przepływ mózgowy. Obrazowanie parametryczne określa technikę syntezy obrazów na podstawie...
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The correlation between the MRI-evaluated ectopic fat accumulation and the incidence of diabetes mellitus and hypertension depends on body mass index and waist circumference ratio.
PublicationThe widespread presence of overweight and obesity increases with every decade, and the number of people with body mass index (BMI) >30 kg/m2 has doubled in the last 30 years. The aim of the study is to assess the correlation between MRI-evaluated ectopic fat accumulation in pancreas, skeletal muscles and liver and the incidence of type 2 diabetes and hypertension, depending on BMI and waist circumference ratio. This prospective...
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MRI assessment of ectopic fat accumulation in pancreas, liver and skeletal muscle in patients with obesity, overweight and normal BMI in correlation with the presence of central obesity and metabolic syndrome
PublicationPurpose: Obesity, defined as a body mass index (BMI) exceeding 30 kg/m2, is a serious health problem, which can be called an epidemic on a global scale and is one of the most important causes of preventable death. The aim of this study was to assess ectopic fat accumulation in pancreas, liver and skeletal muscle in patients with obesity, overweight and normal BMI in correlation with metabolic syndrome (MetS). Patients and methods:...
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A Comparability of Renal Length and Volume Measurements in MRI and Ultrasound in Children
PublicationIntroduction: Despite the significant increase in use of magnetic resonance imaging (MRI) in children, there is still a lack of normal reference values of renal size in this method and reference values are being interpolated from the ultrasound (US) studies. The study provides comparative analysis of agreement in renal length and volume measurements between MRI and ultrasound. Materials and Methods: Ninety-three children with a...
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Kinga Kaniewska-Laskowska dr inż.
PeopleEducation BSc - qualification: Engineer in Chemistry 2013: Gdańsk University of Technology, Faculty of Chemistry, Department of Inorganic ChemistryPL thesis title: Kompleksy żelaza z ligandami fosfinidenowymiEN thesis title: Iron complexes with phosphinidene ligands Supervisor: dr hab. inż. Rafał Grubba MSc - qualification: Master of Science in Chemical Technology, spec. Organic Technology 2014: Gdańsk University of Technology,...
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Wpływ metodyki obliczania mózgowej objętości krwi na wiarygodność diagnozy udaru niedokrwiennego w badaniach DSC-MRI
PublicationNiedokrwienny udar mózgu jest jednym z najczęściej spotykanych oraz najlepiej udokumentowanych incydentów mózgowo-naczyniowych (Dani et al., Ann Neurol 2011, 70(3), 384-401), a obrazowanie mózgu metodą DSC-MRI (ang. Dynamic Susceptibility Contrast - Magnetic Resonance Imaging) wskazuje się jako umożliwiające m.in. diagnozę niedokrwionej tkanki, prognozę jej dalszych losów, oraz rozróżnienie niedokrwienia odwracalnego od nieodwracalnego...
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A Comprehensive Analysis of Deep Neural-Based Cerebral Microbleeds Detection System
PublicationMachine learning-based systems are gaining interest in the field of medicine, mostly in medical imaging and diagnosis. In this paper, we address the problem of automatic cerebral microbleeds (CMB) detection in magnetic resonance images. It is challenging due to difficulty in distinguishing a true CMB from its mimics, however, if successfully solved it would streamline the radiologists work. To deal with this complex three-dimensional...
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MRI-Derived Subcutaneous and Visceral Adipose Tissue Reference Values for Children Aged 6 to Under 18 Years
PublicationThe assessment of body composition in pediatric population is essential for proper nutritional support during hospitalization. However, currently available methods have limitations. This study aims to propose a novel approach for nutrition status assessment and introduce magnetic resonance imaging (MRI)-derived subcutaneous and visceral fat normative reference values. A total of 262 healthy subjects aged from 6 to 18 years underwent...
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Subarachnoid Space: New Tricks by an Old Dog
PublicationPurpose: The purpose of the study was to: (1) evaluate the subarachnoid space (SAS) width and pial artery pulsation in both hemispheres, and (2) directly compare magnetic resonance imaging (MRI) to near-infrared transillumination/backscattering sounding (NIR-T/BSS) measurements of SAS width changes in healthy volunteers.Methods: The study was performed on three separate groups of volunteers, consisting in total of 62 subjects (33...
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Exploring the landscape of automatic cerebral microbleed detection: A comprehensive review of algorithms, current trends, and future challenges
PublicationThis paper provides the first review to date which gathers, describes, and assesses, to the best of our knowledge, all available publications on automating cerebral microbleed (CMB) detection. It provides insights into the current state of the art and highlights the challenges and opportunities in this topic. By incorporating the best practices identified in this review, we established guidelines for the development of CMB detection...
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Katarzyna Szwarc-Karabyka dr inż.
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Data augmentation for improving deep learning in image classification problem
PublicationThese days deep learning is the fastest-growing field in the field of Machine Learning (ML) and Deep Neural Networks (DNN). Among many of DNN structures, the Convolutional Neural Networks (CNN) are currently the main tool used for the image analysis and classification purposes. Although great achievements and perspectives, deep neural networks and accompanying learning algorithms have some relevant challenges to tackle. In this...
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Corrosion process monitoring by AFM higher harmonic imaging
PublicationThe atomic force microscope (AFM) was invented in 1986 as an alternative to the scanning tunnelling microscope, which cannot be used in studies of non-conductive materials. Today the AFM is a powerful, versatile and fundamental tool for visualizing and studying the morphology of material surfaces. Moreover, additional information for some materials can be recovered by analysing the AFM's higher cantilever modes when the cantilever...
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3D intact knee model used in analysis of the medial meniscus biomechanics in the osteoarthritic knee joint - input text file for computation
Open Research DataThe finite element method was used to simulate the stance phase of the gait cycle. An intact knee model with original geometry and material parametetrs was prepared based on magnetic resonance scans of the left knee joint of a healthy volunteer. The file was created in Abaqus 6.14-2, but can be read in a text editor.
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Olga Ciupak mgr inż.
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Examples of AFM applications in liquid environment
Open Research DataImportant advantage of atomic force microscopy (also tunneling microscopy) is the ability to work in different environments (vacuum, controlled atmosphere, liquid environment). The last one, open interesting possibilities, such as imaging of delicate biological materials in their natural state. The use of electrochemical mode allows for the modification...