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Innovative Implantable Left Ventricular Assist Device—Performance under Various Resistances and Operating Frequency Conditions
- Ryszard Jasiński
- Krzysztof Tesch
- Leszek Dąbrowski
- Jan Rogowski
2023 Pełny tekst Applied Sciences-Basel
This paper presents the operation of an innovative left ventricular assist device under various resistances and operating frequencies. The operating principle of the device is based on pulsatile blood flow, which is forced by a suction–discharge device pumping helium into a set of intra-cardiac balloons. In this way, the ejection fraction of the left ventricle is increased, and the mitral valve is additionally occluded. What is more, the suction–discharge device is part of a portable pumping system that is synchronized with the heart cycle by monitoring the ECG signal. The device is implanted in a minimally invasive manner and is suitable for patients with stage D heart failure accompanied with residual mitral regurgitation. A model of the heart was built on the basis of a realistically reconstructed heart geometry and is part of an overall test stand that allows for realistic conditions in the heart of patients with end-stage heart failure to be reproduced. In the following sections, example measurements of the pressures in the heart chambers and balloons are shown, demonstrating that the device works correctly at least on a laboratory scale. The entire device, including the pumping system, is portable and powered by a set of lithium-ion batteries. From the measurements, it was observed, for example, that the flow rate varies with the frequency of the portable external balloon pumping system, up to 2.5 kg/min for 100 cycles/min at low flow resistance. As the flow resistance of the hydraulic system increases, the pressure in the heart chamber and aorta increases while the flow rate decreases.
Innovative Urban Blue Space Design in a Changing Climate: Transition Models in the Baltic Sea Region
- Izabela Burda
- Lucyna Nyka
2023 Pełny tekst Water
Waterfront areas in cities are subject to constant changes. The desire to integrate the transformed waterside areas with the urban fabric involves shaping high-quality public spaces related to water, which are often referred to as urban blue spaces (UBS). The aim of the research was to examine the transformation processes of urban waterfront areas in the Baltic Sea Region and identify emerging transition models and types of blue public spaces. The methodological framework of this study is based on qualitative analysis of urban form with respect to coastal and riverine waters. An introductory analysis of 50 cases of transformations was conducted, and 12 were selected for further investigation: Tallinn, Pärnu (Estonia), Copenhagen, Køge, Aarhus (Denmark), Helsinki, Turku (Finland), Stockholm, Malmö, Luleå, Sundsvall, and Ystad (Sweden). As the outcome of the study, the authors indicate that the existing hard land–water interfaces were transformed into soft transition zones where new types of blue public spaces were created with different relationships to water. Synergies were identified between public space design, flood protection measures, and climate adaptation schemes. Finally, the findings highlight the need to verify the existing planning regulations and make them more flexible and effective in guiding the sustainable waterfront design processes.
Insight into (Electro)magnetic Interactions within Facet-Engineered BaFe12O19/TiO2 Magnetic Photocatalysts
- Szymon Dudziak
- Cristina Gómez-Polo
- Jakub Karczewski
- Kostiantyn Nikiforow
- Anna Zielińska-Jurek
2023 Pełny tekst ACS Applied Materials & Interfaces
A series of facet-engineered TiO2/BaFe12O19 composites were synthesized through hydrothermal growth of both phases and subsequent deposition of the different, faceted TiO2 nanoparticles onto BaFe12O19 microplates. The well-defined geometry of the composite and uniaxial magnetic anisotropy of the ferrite allowed alternate interfaces between both phases and fixed the orientation between the TiO2 crystal structure and the remanent magnetic field within BaFe12O19. The morphology and crystal structure of the composites were confirmed by a combination of scanning electron microscopy (SEM) and X-ray diffraction (XRD) analyses together with the detailed study of BaFe12O19 electronic and magnetic properties. The photocatalytic activity and magnetic field effect were studied in the reaction of phenol degradation for TiO2/BaFe12O19 and composites of BaFe12O19 covered with a SiO2 protective layer and TiO2. The observed differences in phenol degradation are associated with electron transfer and the contribution of the magnetic field. All obtained magnetic composite materials can be easily separated in an external magnetic field, with efficiencies exceeding 95%, and recycled without significant loss of photocatalytic activity. The highest activity was observed for the composite of BaFe12O19 with TiO2 exposing {1 0 1} facets. However, to prevent electron transfer within the composite structure, this photocatalyst material was additionally coated with a protective SiO2 layer. Furthermore, TiO2 exposing {1 0 0} facets exhibited significant synergy with the BaFe12O19 magnetic field, leading to 2 times higher photocatalytic activity when ferrite was magnetized before the process. The photoluminescence emission study suggests that for this particular combination, the built-in magnetic field of the ferrite suppressed the recombination of the photogenerated charge carriers. Ultimately, possible effects of complex electro/magnetic interactions within the magnetic photocatalyst are shown and discussed for the first time, including the anisotropic properties of both phases
Insightful studies of AuCu nanostructures deposited on Ti platform: Effect of rapid thermal annealing on photoelectrochemical activity supported by synchrotron radiation studies
- Wiktoria Lipińska
- Zuzanna Bielan
- Agnieszka Witkowska
- Jakub Karczewski
- Katarzyna Grochowska
- Ewa Partyka-Jankowska
- Tomasz Sobol
- Magdalena Szczepanik
- Katarzyna Siuzdak
2023 APPLIED SURFACE SCIENCE
In this work, we present the influence of annealing atmospheres during rapid thermal annealing (40◦C/s) on nanostructured Ti platforms modified by 10 nm layer of AuCu alloy obtained via magnetron sputtering. The AuCu/Ti platform annealed under hydrogen atmosphere exhibits the best photoelectrochemical activity under visible light, i.e. 27 times higher photocurrent than for pure Ti dimpled platform, and the lowest reflectance with minimum at ca. 750 nm. Synchrotron radiation studies allow for inspection in three zones, such as the upper (2-3 nm) and deeper (5-7 nm) surface layers as well as the bulk structure (12-15 nm). Taking into account hydrogenated AuCu/Ti platforms gold presence was confirmed in the upper and deeper surface layers as well as in bulk whereas AuxCuy nanoalloy only in the deeper layer. In the case of copper, Cu2O or Cu were distinguished in the upper and deeper surface layers, where Cu+1/Cutot ratio reaches 70 % in the upper layer and drops to about 40 % at a depth of 5–7 nm. Hydrogenation has a positive effect on photovoltaic performance by efficient acceptor–donor configuration of AuCu doping on/into TiO2 semiconductor showing its potential ability as photoanode in solar cells.
Insights into baby disposable diapers sustainable application
- Justyna Płotka-Wasylka
- Christina Vakh
2023 SCIENCE OF THE TOTAL ENVIRONMENT
The sustainable use of baby disposable diapers is one of the issues currently being discussed to reduce the undesirable impact on the environment and improve the public's understanding of the proper use of diapers. This issue is a step toward promoting a cleaner, greener, and waste-less environment. In this article, the authors discuss options for a viable future for both people and the planet. We believe that it inspire others in the field of sustainable use of diapers as well as future education in this area. In addition, we believe that it will be a motivation for a researchers working in industry to be focused on the production of new, biodegradable baby diapers as well as on recycling baby diapers waste (for example as composite material for a structural and architectural component of the building).
Insights into oral microbiome and colorectal cancer – on the way of searching new perspectives
- Anna Kudra
- Damian Muszyński
- Bartosz Kamil Sobocki
- Alessandro Atzeni
- Ludovico Carbone
- Karolina Kaźmierczak-Siedlecka
- Karol Polom
- Leszek Kalinowski
2023 Pełny tekst FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY
Microbiome is a keystone polymicrobial community that coexist with human body in a beneﬁcial relationship. These microorganisms enable the human body to maintain homeostasis and take part in mechanisms of defense against infection and in the absorption of nutrients. Even though microbiome is involved in physiologic processes that are beneﬁcial to host health, it may also cause serious detrimental issues. Additionally, it has been proven that bacteria can migrate to other human body compartments and colonize them even although signiﬁcant structural differences with the area of origin exist. Such migrations have been clearly observed when the causes of genesis and progression of colorectal cancer (CRC) have been investigated. It has been demonstrated that the oral microbiome is capable of penetrating into the large intestine and cause impairments leading to dysbiosis and stimulation of cancerogenic processes. The main actors of such events seem to be oral pathogenic bacteria belonging to the red and orange complex (regarding classiﬁcation of bacteria in the context of periodontal diseases), such as Porphyromonas gingivalis and Fusobacterium nucleatum respectively, which are characterized by signiﬁcant amount of cancerogenic virulence factors. Further examination of oral microbiome and its impact on CRC may be crucial on early detection of this disease and would allow its use as a precise non-invasive biomarker.
Insights into Seawater Biodegradation of Sustainable Mater-Bi/Poly(ε-caprolactone)-Based Biocomposites Filled with Diisocyanate-Modified Cellulose Particles
- Aleksander Hejna
- Paulina Kosmela
- Olga Mysiukiewicz
- Mateusz Barczewski
2023 Pełny tekst Environments
: Due to rapid economic growth, the use of plastics in almost all areas of human life has significantly increased over recent decades, leading to massive pollution. Therefore, works dealing with sustainable and biodegradable polymer materials are vital now. Herein, sustainable MaterBi/poly(ε-caprolactone) (PCL)-based biocomposites, filled with diisocyanate-modified cellulose particles, were prepared and subjected to 12-week seawater degradation. Changes in the chemical structure and surface wettability pointed to the increasing hydrophilicity of materials over time, which was limited by diisocyanate modifications. Only minor changes in the thermal performance of analyzed materials have been observed, pointing to the limited biodegradation of the PCL phase. The most significant effects have been related to the composite yellowing due to the filler diisocyanate modifications and surface erosion increasing its roughness. Obtained results pointing to the low degradation rate bring into question the commonly-regarded biodegradable nature of PCL material.
Instance segmentation of stack composed of unknown objects
- Michał Czubenko
- Artur Chrzanowski
- Rafał Okuński
2023 Pełny tekst ENGINEERING APPLICATIONS OF ARTIFICIAL INTELLIGENCE
The article reviews neural network architectures designed for the segmentation task. It focuses mainly on instance segmentation of stacked objects. The main assumption is that segmentation is based on a color image with an additional depth layer. The paper also introduces the Stacked Bricks Dataset based on three cameras: RealSense L515, ZED2, and a synthetic one. Selected architectures: DeepLab, Mask RCNN, DEtection TRansformer, Geometry-Aware Instance Segmentation, Shapemask, Synthetic Depth Mask RCNN, Synthetic Fusion Mask RCNN (SF-Mask), Unseen Object Instance Segmentation (UOIS), Unseen Object Clustering (UOC), and You Look Only At Coefficients, have been tested on various datasets. The results show that the best architectures for stacked elements segmentation are UOIS, SF-Mask, and UOC.
Integracja bezprzewodowych heterogenicznych sieci IP dla poprawy efektywności transmisji danych na morzu
- Michał Hoeft
2023 Pełny tekst
Wraz ze wzrostem istotności środowiska morskiego w naszym codziennym życiu np. w postaci zwiększonego wolumenu transportu realizowanego drogą morską. czy zintensyfikowanych prac dotyczących obserwacji i monitoringu środowiska morskiego, wzrasta również potrzeba opracowania efektywnych systemów komunikacyjnych dedykowanych dla tego środowiska. Heterogeniczne systemy łączności bezprzewodowej integrowane na poziomie warstwy sieciowej mogą przynieść istotne korzyści w postaci łatwości wdrożenia, elastyczności, czy zwiększonej skalowalności płynących z ich zastosowania w rozwiązaniach komunikacji morskiej. Celem prac opisanych w rozprawie jest opracowanie i przebadanie mechanizmów integracji heterogenicznych systemów łączności wykorzystywanych w komunikacji na morzu, pozwalających na poprawę efektywności tej komunikacji. Teza pracy doktorskiej jest następująca „Integracja heterogenicznych systemów transmisji z wykorzystaniem miękkiego przełączania oraz kodowania sieciowego poprawia efektywność transmisji danych w bezprzewodowych sieciach IP na morzu". Aby udowodnić tę tezę, autor zaproponował rozwiązanie miękkiego przełączania oraz mechanizmy wyboru łącza wspomagane głębokimi sieciami neuronowymi. Dodatkowo przedstawione zostały możliwości zastosowania kodowania sieciowego w zaprezentowanej architekturze systemu obsługi mobilności oraz wskazane zostały korzyści z zastosowania zaproponowanych algorytmów: heurystycznego i uczenia ze wzmocnieniem.
Integrated model for the fast assessment of flood volume: Modelling – management, uncertainty and sensitivity analysis
- Bartosz Szeląg
- Przemysław Kowal
- Adam Kiczko
- Anita Białek
- Grzegorz Wałek
- Dariusz Majerek
- Piotr Siwicki
- Francesco Fatone
- Grzegorz Boczkaj
2023 JOURNAL OF HYDROLOGY
The specific flood volume is an important criterion for assessing the performance of sewage networks. It has been shown that its value is greatly influenced by the layout of the sewers in the catchment area, which is usually expressed by a fractal dimension. Currently, only mechanistic models (such as SWMM) enable the determination of the impact of the layout of the sewers on flooding volume, but they require additional and robust calculations. In the presented study an integrated tool has been proposed that includes: a flooding volume simulator based on rainfall data, catchment and sewage network characteristics, sewers layout expressed by fractal dimension. A logistic model can be applied for fast flooding volume estimation as an alternative approach to SWMM, design and upgrade sewer layout even with limited access to data (spatial planning, architectural concepts, etc.). Using the random forest (RF) method, a likelihood function simulator was developed, which enabled the analysis of interactions and optimal selection of combinations of SWMM model parameters for calibration. It has been shown that the higher the fractal dimension and retention coefficient (the ratio of surface to sewer retention), the greater the influence of SWMM parameters on the specific flood volume.
Integrating modelling, simulation and data management tools to create a planning support system for the improvement of air quality by urban planning solutions
- Joanna Badach
2023 Pełny tekst
The urbanization pressure requires urban planners, designers, and policy makers to be more responsive to the challenges related to improving the quality of the urban environment and the living conditions of the inhabitants. One of the many environmental issues that need to be taken into account is urban air pollution. As the process of urban ventilation and air pollution dis-persion is significantly affected by the urban layout, the planning and design practice offers some solutions for urban air quality improvement. The paper outlines the most important planning implications for the integrated manage-ment of urban ventilation and air quality. The results indicate that the integra-tion of various scale-adaptive modelling, simulation, and data management tools is necessary for the comprehensive assessment of the impact of spatial solutions on urban air quality and the formulation of planning outlines. A case study of the city of Warsaw, Poland, was demonstrated in the paper.
Integration of the sulfate reduction and anammox processes for enhancing sustainable nitrogen removal in granular sludge reactors
- Dominika Derwis
- Joanna Majtacz
- Przemysław Kowal
- Hussein Al-Hazmi
- Jun Zhai
- Slawomir Ciesielski
- Grzegorz Piechota
- Jacek Mąkinia
2023 BIORESOURCE TECHNOLOGY
The Anammox and Sulfate Reduction Ammonium Oxidation processes were compared in two granular sequencing batch reactors operated for 160 days under anammox conditions. It was hypothesized that increasing the concentration of SO42− may positively influence the rate of N removal under anaerobic conditions and it was tested whether SO42− reduction and anammox occur independently or are related to each other. The cooperation of N-S cycles by increasing the concentration of influent SO42− to 952 mg S/L in the second reactor, a higher ammonium utilization rate and sulfate utilization rate was achieved compared to the first reactor, i.e., 2.1-fold and 15-fold, respectively. Nitrosomonas played the dominant role in the N metabolism, while Thauera – in the S metabolism. This study highlights the benefits of linking the N-S cycles as an effective approach for the treatment of NH4+ and SO42− – rich wastewater, including lower substrate removal cost and reduced energy consumption.
Interakcje układów przesyłowych prądu stałego ze szczególnym uwzględnieniem pracy wyspowej systemu elektroenergetycznego
- Michał Kosmecki
2023 Pełny tekst
Układ przesyłowy prądu stałego to złożona pod względem technicznym struktura, której poprawne funkcjonowanie jest w decydującym stopniu zależne od niezawodnego i niezakłóconego działania układów sterownia. W przypadku pracy dwóch lub więcej takich układów przyłączonych blisko siebie nieuniknione jest wzajemne oddziaływanie (interakcja) tych układów. Celem rozprawy jest identyfikacja i analiza kluczowych elementów interakcji dwóch układów przesyłowych prądu stałego pracujących w warunkach pracy wyspowej, co zazwyczaj oznacza niewielką moc zwarciową oraz inercję systemu elektroenergetycznego. Postawiona przez autora teza w brzmieniu „Możliwa jest identyfikacja oraz analiza jakościowa i ilościowa wpływu aktywnych elementów regulacyjnych oraz pasywnych elementów układów HVDC i sieci AC w różnych warunkach pracy systemu elektroenergetycznego wyspy na charakter i zakres interakcji między układem LCC HVDC i VSC HVDC poprzez opracowanie i badania zlinearyzowanego modelu pracy wspólnej obu układów w szczególności wykorzystujące elementy analizy modalnej” wymagała doboru metod matematycznych oraz opracowania i zweryfikowania modeli symulacyjnych układów HVDC.
Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
- Jan Alfuth
- Katarzyna Kazimierczuk
- Tadeusz Połoński
- Teresa Olszewska
2023 Pełny tekst CRYSTAL GROWTH & DESIGN
The crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected self-complementary hydrogen bond dimeric motifs. The results point to the potential of aryl–perfluoroaryl interactions for the control of molecular self-assembly of aromatic compounds able to form hydrogen bonds. Also, the electrostatic potential (ESP) surfaces were investigated in terms of intermolecular interactions in the studied cocrystals. The values of the locally most negative and most positive ESP confirmed the best donor and acceptor sites for hydrogen bonding and other contacts.
Internacjonalizacja przedsiębiorstw na obszarze Euroazjatyckiej Unii Gospodarczej na przykładzie Kazachstanu
- Inna Sobaszek
2023 Pełny tekst
Autorka podjęła badania nad wpływem Euroazjatyckiej Unii Gospodarczej (EUG) na internacjonalizację kazachskich przedsiębiorstw, motywowana aktualnością tematu i brakiem kompleksowych badań w tej dziedzinie. Celem pracy jest analiza wpływu EUG na proces internacjonalizacji firm w Kazachstanie. Rozprawa składa się z czterech rozdziałów, z których pierwsze trzy mają charakter teoretyczny, a czwarty jest empiryczny. W rozdziałach teoretycznych omówiono internacjonalizację przedsiębiorstw, czynniki umiędzynarodowienia i rolę otoczenia w tym procesie, a także integrację ekonomiczną i charakterystykę EUG, szczególnie z perspektywy Kazachstanu. Czwarty rozdział przedstawia wyniki badań empirycznych przeprowadzonych w Kazachstanie, analizując poziom internacjonalizacji firm, metody umiędzynarodowienia oraz kierunki ekspansji międzynarodowej. W konkluzji autorka odpowiada na hipotezy badawcze i sugeruje kierunki dalszych badań.
International Conference on Diagnostics of Processes and Systems 2022
- Zdzisław Kowalczuk
2023 Pomiary Automatyka Robotyka
Wydarzenie stanowiło 15 ogniwo cyklu organizowanego od 1996 roku, naprzemiennie przez Politechnikę Warszawską, Uniwersytet Zielonogórski oraz Politechnikę Gdańską. Tegoroczna edycja konferencji została objęta patronatem JM Rektora Politechniki Gdańskiej, prof. Krzysztofa Wilde, Komitetu Automatyki i Robotyki Polskiej Akademii Nauk, Towarzystwa Konsultantów Polskich (FSNT-NOT) oraz Polskiego Stowarzyszenia Pomiarów Automatyki i Robotyki POLSPAR, narodowego członka (NMO) Międzynarodowego Stowarzyszenia Automatyki IFAC.
Interpretable deep learning approach for classification of breast cancer - a comparative analysis of multiple instance learning models
- Jakub Buler
- Rafał Buler
- Maciej Bobowicz
- Maria Ferlin
- Marlena Rygusik
- Arkadiusz Kwasigroch
- Michał Grochowski
2023
Breast cancer is the most frequent female cancer. Its early diagnosis increases the chances of a complete cure for the patient. Suitably designed deep learning algorithms can be an excellent tool for quick screening analysis and support radiologists and oncologists in diagnosing breast cancer.The design of a deep learning-based system for automated breast cancer diagnosis is not easy due to the lack of annotated data, especially at pixel level, the large size of the images with relatively small cancer lesion sizes and class imbalance, a wide diversity of cancerous lesions, a variety of breasts, both in size and density, make the training of the neural models challenging. Moreover, clinicians are often concerned about using these black-box models because of the lack of transparency in their inference. To address these issues, we propose an approach taking advantage of Multiple Instance Learning (MIL), supported by attention mechanisms. We researched Attention-based MIL (AMIL), Gated AMIL (GAMIL), Dual Stream MIL (DSMIL) and CLustering-constrained AMIL (CLAM) models trained in a weakly-supervised manner and compared them with a common model in image classification tasks, ResNet18.The approach described in this paper is multimodal and combines two mammographic projections (CC and MLO) in the training process. The developed neural system achieved high classification efficiency. Furthermore, exploiting the generated attentional maps allowed the localisation of cancerous lesions, thus increasing the interpretability of the algorithm. Thanks to this mechanism, we were also able to detect artifacts in the analyzed database, difficult to spot but drastically skewing the algorithm’s performance.
‘Interspaces of the house | contextualized. our homes about ourselves’ cykl obrazów [w ramach:] międzynarodowa wystawa zbiorowa | ekspozycja hybrydowa Muestra de Arte Universitario - International MAU-I 2023, 'Interconexiones culturales: mirar cómo miras’
- Agnieszka Kurkowska
2023
interprzestrzenie domu: skontekstowane. nasze domy o nas samych W obrazie domu rodzinnego, z którym się utożsamiamy widzimy samych siebie. Tak też poznajemy naszych sąsiadów i ludzi z dalszych kręgów kulturowych. Sposób zamieszkiwania, tworzone schronienia współtworzą nasz wizerunek. Migracje, przemieszczenia, przenoszenie kulturowego wzorca domu i jego spasowywanie z realiami zastanymi tworzy przestrzeń innowacyjnych rozwiązań. Adaptowalność, inspiracja innością i nieznanym stanowi wyzwanie. Trudność koniecznej zmiany wyzwala energię krytyczną. Powstanie domu łagodzi lęk. Oswaja nowe przestrzenie, jest wejściem w nową kulturę. Posiadanie domu pomaga wzrastać w nowym . Przestrzeń lasu zaanektowana na potrzeby zamieszkiwania swobodnie przepływa. Poprzez wgląd, refleksję, przebywanie, czas namysłu wywołuje marzenia o domach wpasowanych w miejsce. Interkulturowych. Jak my współcześnie.
Intracranial hemorrhage detection in 3D computed tomography images using a bi-directional long short-term memory network-based modified genetic algorithm
- Jewel Sengupta
- Robertas Alzbutas
- Przemysław Falkowski-Gilski
- Bożena Falkowska-Gilska
2023 Pełny tekst Frontiers in Neuroscience
Introduction: Intracranial hemorrhage detection in 3D Computed Tomography (CT) brain images has gained more attention in the research community. The major issue to deal with the 3D CT brain images is scarce and hard to obtain the labelled data with better recognition results. Methods: To overcome the aforementioned problem, a new model has been implemented in this research manuscript. After acquiring the images from the Radiological Society of North America (RSNA) 2019 database, the region of interest (RoI) was segmented by employing Otsu’s thresholding method. Then, feature extraction was performed utilizing Tamura features: directionality, contrast, coarseness, and Gradient Local Ternary Pattern (GLTP) descriptors to extract vectors from the segmented RoI regions. The extracted vectors were dimensionally reduced by proposing a modified genetic algorithm, where the infinite feature selection technique was incorporated with the conventional genetic algorithm to further reduce the redundancy within the regularized vectors. The selected optimal vectors were finally fed to the Bi-directional Long Short Term Memory (Bi-LSTM) network to classify intracranial hemorrhage sub-types, such as subdural, intraparenchymal, subarachnoid, epidural, and intraventricular. Results: The experimental investigation demonstrated that the Bi-LSTM based modified genetic algorithm obtained 99.40% sensitivity, 99.80% accuracy, and 99.48% specificity, which are higher compared to the existing machine learning models: Naïve Bayes, Random Forest, Support Vector Machine (SVM), Recurrent Neural Network (RNN), and Long Short-Term Memory (LSTM) network.
Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
- Lidia Chomicz-Mańka
- Anna Czaja
- Karina Falkiewicz
- Magdalena Zdrowowicz
- Karol Biernacki
- Sebastian Demkowicz
- Farhad Izadi
- Eugene Arthur-Baidoo
- Stephan Denifl
- Zhaoguo Zhu
- Burak Ahmet Tufekci
- Rachel Harris
- Kit H. Bowen
- Janusz Rak
2023 Pełny tekst JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Single-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental importance of proton transfer (PT) in radical anions formed via electron attachment. Three molecular systems were investigated: 5′-monophosphate of 2′-deoxycytidine (dCMPH), where PT in the electron adduct is feasible, and two ethylated derivatives, 5′-diethylphosphate and 3′,5′-tetraethyldiphosphate of 2′-deoxycytidine, where PT is blocked due to substitution of labile protons with the ethyl residues. CEMB and aPES experiments confirmed the cleavage of the C3′/C5′–O bond as the main dissociation channel related to electron attachment in the ethylated derivatives. In the case of dCMPH, however, electron attachment (in the aPES experiments) yielded its parent (intact) radical anion, dCMPH–, suggesting that its dissociation was inhibited. The aPES-measured vertical detachment energy of the dCMPH– was found to be 3.27 eV, which agreed with its B3LYP/6-31++G(d,p)-calculated value and implied that electron-induced proton transfer (EIPT) had occurred during electron attachment to the dCMPH model nucleotide. In other words, EIPT, subduing dissociation, appeared to be somewhat protective against SSB. While EIPT is facilitated in solution compared to the dry environment, the above findings are consistent with the stability of DNA against hydrated electron-induced SSB in solution versus free electron-induced SSB formation in dry DNA.