2023 - Publications Repository - Gdańsk University of Technology

Show publications from the year

Publications from the year 2023

Show all

How do responsible universities perceive their social engagement? In search of signs of Creating Shared Value by the University
- Elżbieta Karwowska
2023 Full text Journal of Modern Science
Objectives: University social responsibility still lacks legitimisation and is perceived as a burden that hinders academics from doing research and teaching. Creating Shared Value by the University may serve as a tool to motivate universities to engage in initiatives for society, as this is beneficial for both parties. Yet, some researchers perceive the creation of economic value as inappropriate for academia. Thus, it was interesting to examine how the world's best universities elaborate on this matter. Material and methods: A thematic analysis of textual data published online by universities in the top 30 in THE Impact Rankings 2022 has been conducted to determine if they create shared value and what benefits they create or expect. Results: Signs of indirect Creating Shared Value by the University were observed in the dataset. Some universities create social and economic benefits from the same initiatives, mainly strategic. The observed benefits are both intangible and tangible, but most are related to increasing brand value: receiving recognition and awards, building reputation, strengthening competitive advantage, boosting brand attractiveness, and employer branding. Universities modestly mention that they gain tangible benefits, such as an expansion of research funds, and earned or passive income, which may point out that such values are not perceived as suitable in an academic context yet. Conclusions: The results shed new light on the perception of creating economic value in academia, indicating that CSVU could be a legitimate tool to develop the theory and practice of USR. Still, results suggest that any CSVU framework should focus primarily on intangible benefits.
How pesticides affect neonates? - Exposure, health implications and determination of metabolites
- María José Santoyo Treviño
- Marina Pereira-Coelho
- Andrea Guadalupe Rodríguez López
- Sergio Zarazúa
- Luiz Augusto dos Santos Madureira
- Tomasz Majchrzak
- Justyna Płotka-Wasylka
2023 Full text SCIENCE OF THE TOTAL ENVIRONMENT
This review covers key information related to the effects of pesticides on fetal and child health. All humans are exposed to environmental toxicants, however child's health, due to their high vulnerability, should be of special concern. They are continuously exposed to environmental xenobiotics including a wide variety of pesticides, and other pollutants. These compounds can enter the child's body through various routes, both during fetal life, in the first days of life with breast milk, as well as during environmental exposure in later years of life. Consequently, in the body, some of them are metabolized and excreted with urine or faces, while others accumulate in tissues causing toxic effects. This review will provide information on the types of pesticides, their pathways of uptake and metabolism in children's bodies. Determination of the impact of them on children's organism performance is possible through effective identification of these compounds and their metabolites in children's tissues and biofluids. Therefore, the main procedures for the determination of pesticides are reviewed and future trends in this field are indicated. We believe that this comprehensive review can be a good starting place for the future readers interested in the impact of environmental xenobiotics on the health of children as well as the aspects relates with the analytical methods that can be used for analysis and monitoring of these pollutants in children's tissues and biofluids.
How Swiss Watchmaking Brands are Communicating Made in Switzerland
- Alina Rech
- Alice Noris
- Nadzeya Sabatini
2023
Country-of-origin indications, also called “made in” labeling [35], are utilized in marketing strategies by companies to distinguish themselves from others, trying to associate their products with positive characteristics [9]. Swiss watchmaking companies have an iconic status that is essential to their reputation - mainly due to their high quality, precision, innovation, and craftsmanship [7]. They are also using country-of-origin information as a competitive advantage in their communication strategies [11]. Although people have become acquainted with the “Swiss-made” label, and numerous studies have been dedicated to diverse Swiss watchmaking field topics [26], a significant research gap exists regarding the understanding of what are the “made in Switzerland” communication strategies and how Swiss watchmaking brands are using them. This study aims to examine how country-of-origin symbols - considering Swiss made related terms - and watchmaking-related words are employed by analyzing the official communication of thirty Swiss watchmaking brands.
How the Depths of the Danish Straits Shape Gdańsk's Port and City Spatial Development
- Karolina Krośnicka
- Aleksandra Wawrzyńska
2023 Full text Urban Planning
The depths of the Danish Straits limit the drafts of ships entering the Baltic Sea. The largest ships calling the Baltic in a laden condition are called Baltimax. The article presents how the dredging works carried out in the Danish Straits in the 1970s enabled the development of the Port of Gdańsk and consequently also influenced the city, being a residential base for employees of the new port and shipyards. The analysed case proves that, for port cities, overcoming a distant navigational bottleneck by dredging the existing passage or constructing a new channel might lead to a significant change in their development. The article also raises a question on the current development opportunities of the Port of Gdańsk, which is again increasingly limited by the depths of the Danish Straits, as large tankers and bulk carriers have already been entering Gdańsk not fully loaded for some time, and recently the largest container ships also reached the maximum permissible drafts.
How to evaluate methods used in chemical laboratories in terms of the total chemical risk? – a ChlorTox Scale
- Paweł Mateusz Nowak
- Renata Wietecha-Posłuszny
- Justyna Płotka-Wasylka
- Marek Tobiszewski
2023 Full text Green Analytical Chemistry
Reliable assessment of the health and environmental risk associated with the use of chemicals is critical to ob- jectively evaluate the greenness and whiteness of an analytical method. An objective and useful way of risk assessment should take into account all the relevant properties of used substances, their actual amounts needed for application of the method, and quantify the assessment result using a standardized unit. This article presents a relatively simple approach to meet the above requirements, which we call the Chloroform-oriented Toxicity Estimation Scale (ChlorTox Scale). The risk posed by a given substance is expressed by the ChlorTox value, and the sum of the values obtained for all reagents is the overall risk posed by the method (Total ChlorTox). The ChlorTox value is calculated by comparing the hazards for the substance being assessed to the standard – chlo- roform, using the approach selected by the user as optimal, taking into account the amount of a pure substance needed for single analysis. The ChlorTox unit is the equivalent mass of chloroform which reflects the estimated degree of predicted risk. This tool can be used for risk assessment in laboratories of various profiles
Human Resource Management Digitalisation in Multidisciplinary Ship Design Companies
- Piotr Bilon
- Wojciech Litwin
2023 Full text Polish Maritime Research
The digitalisation in the ship design sector is currently applied to the design process itself and is well defined, partially standardised and practically implemented by both independent design companies and the design departments of shipyards. The situation is similar in other sectors of engineering. However, the requirements for the digitalisation of other processes in design and engineering companies have not previously been studied, and the limited financial resources of ship design companies mean that there is a need for research on the digitalisation needs of multidisciplinary ship design companies. The implementation of building information modelling (BIM) solutions is costly for design companies and generates benefits mainly for shipyards and shipowners. The lack of benefits for design companies leads to the hesitation of managers whenever digitalisation is considered; the scope and scale of the digitalisation, as well as the selected software and BIM level, are defined by the shipyard requirements. The participation and support of management in the digitalisation process is one of the key success factors; the expected benefits caused by digitalisation for the organisation will increase the motivation of managers to invest limited resources in digitalisation. There are no data that indicate the processes with a high potential for digitalisation and the scale of expected improvements in ship design companies; therefore, research in this area was performed with a group of project managers from design and engineering companies. The research focused on collecting the opinions and experiences of the managers related to the manual management of resources and comparing the poll results with the conclusions from the enterprise resource planning (ERP) system data analyses. The paper analyses if the digital automation of the resource management process can lead to the substantial improvement of the operations of multi-project, multidisciplinary engineering ship design companies.
Hybrid all-cellulose reinforcement in polypropylene matrix biocomposites for injection moulding - influence of particle geometry and volume fraction on hybrid effect
- P. Franciszczak
- Jakub Smoliński
2023 COMPOSITE STRUCTURES
The presented study is focused on evaluation of influence of reinforcement volume fraction and geometry on the occurrence of positive hybrid effect by the hybridisation of man-made cellulose fibres (rayon viscose) with cellulose microparticle fillers applied in polypropylene matrix. Four volume fractions of reinforcement were used at 1:1 combination of short man-made cellulose fibres with cellulose microfillers of different aspect ratio. The highest volume fraction was applied for a comparison of four types of cellulose microfillers characterised by different aspect ratios. Proportional volume content of compatibiliser to volume of reinforcement and manufacturing conditions were maintained for all composites. Positive hybrid effect present in tensile and flexural performance was found to result from different factors such as: favourable combination of reinforcement owing to their similar stress–strain characteristic, decreased void fraction, slightly improved orientation of short rayon viscose fibres in hybrid and reduced relaxation of stresses during deformation.
Hybrydowa koncepcja łagodzenia stromości zmian napięcia du/dt dla wielopoziomowych przekształtników kaskadowych SiC
- Marek Adamowicz
- Janusz Szewczyk
- Zbigniew Krzemiński
2023 Full text Przegląd Elektrotechniczny
W referacie zaproponowano nową hybrydową koncepcję łagodzenia stromości zmian napięcia du/dt w wielopoziomowych przekształtnikach kaskadowych SiC. Proponoana koncepcja polega na wykorzystaniu nietłumionego filtra du/dt, podatnego na rezonans oraz zastosowaniu w algorytmie sterowania PWM dodatkowych impulsów sterujących tranzystorami SiC MOSFET, wymuszających rezonansowe przełączanie napięcia na wyjściu filtra. Efekt zmniejszenia stromości du/dt w przekształtniku wielopoziomowym uzyskuje się przy wykorzystaniu pojedynczego filtra du/dt, wspólnego dla całej gałęzi fazowej, co pozwala uzyskać kompaktową konstrukcję całego przekształtnika.
Hydraulic fracturing process in rocks – small-scale simulations with a novel fully coupled DEM/CFD-based thermo-hydro-mechanical approach
- Marek Krzaczek
- Andrzej Tejchman-Konarzewski
2023 Full text ENGINEERING FRACTURE MECHANICS
W artykule przedstawiono dwuwymiarową (2D) symulację numeryczną szczelinowania hydraulicznego w małej skali przeprowadzoną w próbkach skał posiadających pojedynczą szczelinę wtryskową. Wykorzystano unikalny model termo-hydro-mechaniczny (THM) w skali porów oparty na DEM/CFD do symulacji dwufazowego laminarnego przepływu płynu (wody i gazu) z przenoszeniem ciepła w nienasyconych materiałach porowatych o niskiej porowatości. Korzystając z metody DEM w pełni połączonej z metodą CFD (w oparciu o sieć przepływu płynu składającą się z kanałów w domenie ciągłej pomiędzy dyskretnymi elementami) i przenoszeniem ciepła w mezoskali, przeprowadzono serię obliczeń numerycznych dla małych spoistych próbek ziarnistych o uproszczonej mezostrukturze z jedną szczeliną wtryskową. Przyjęto dwuosiowe ściskanie w warunkach płaskiego stanu odkształcenia. Zarówno płyn (dyfuzja i adwekcja), jak i połączone cząstki skały (przewodnictwo) wzięły udział w wymianie ciepła. Zbadano szczegółowo w procesie szczelinowania hydraulicznego wpływ lepkości dynamicznej płynu, zawartości fazy gazowej i różnicy temperatur pomiędzy matrycą skalną a wtryskiem płynu na inicjację i propagację pęknięcia. Odkryto, że te efekty wszystkie miały ogromne znaczenie na zachowanie si ępojedynczego pęknięcia hydraulicznego.
Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
- Justyna Samaszko-Fiertek
- Artur Sikorski
- Barbara Dmochowska
- Piotr Szweda
- Janusz Madaj
2023 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Commercially available lactones, as well as those synthesized by us, turned out to be good substrates for the synthesis of sugar hydrazides. The exception was L-ascorbic acid, whose hydrazinolysis led to the formation of a hydrazinium salt, not the hydrazide as expected. The structure of all compounds was confirmed by NMR and X-ray analyses. The lower durability of hydrazinium L-ascorbate was additionally confirmed by thermogravimetric tests. All products were tested for biological activity against Gram-negative bacteria strains Escherichia coli ATCC 25922 and Pseudomonas aeruginosa ATCC 27853 and against Gram-positive Staphylococcus aureus ATCC 25923 and Staphylococcus aureus ATCC 29213. Their antifungal activity against Candida albicans SC5314, Candida glabrata DSM 11226 SM 11226, Candida krusei DSM 6128, and Candida parapsilosis DSM 5784 was also tested. The most interesting results of microbiological activity were obtained for D-gluconic acid hydrazide and hydrazinium L-ascorbate. The results of the latter encourage more extensive testing.
Hydrochar-nanoparticle integration for arsenic removal from wastewater: Challenges, possible solutions, and future horizon
- Aisha Khanzada
- Hussein Al-Hazmi
- Bogna Śniatała
- Tomy Muringayil
- Joanna Majtacz
- Sameer A.M. Abdulrahman
- Saeed S. Albaseer
- Tonni Agustiono Kurniawan
- Zohreh Rahimi-Ahar
- Sajjad Habibzadeh
- Jacek Mąkinia
2023 ENVIRONMENTAL RESEARCH
Arsenic (As) contamination poses a significant threat to human health, ecosystems, and agriculture, with levels ranging from 12 to 75% attributed to mine waste and stream sediments. This naturally element is abundant in Earth's crust and gets released into the environment through mining and rock processing, causing ≈363 million people to depend on As-contaminated groundwater. To combat this issue, introducing a sustainable hydrochar system has achieved a remarkable removal efficiency of over 92% for arsenic through adsorption. This comprehensive review presents an overview of As contamination in the environment, with a specific focus on its impact on drinking water and wastewater. It delves into the far-reaching effects of As on human health, ecosystems, aquatic systems, and agriculture, while also exploring the effectiveness of existing As treatment systems. Additionally, the study examines the potential of hydrochar as an efficient adsorbent for As removal from water/wastewater, along with other relevant adsorbents and biomass-based preparations of hydrochar. Notably, the fusion of hydrochar with nanoparticle-centric approaches presents a highly promising and environmentally friendly solution for achieving the removal of As from wastewater, exceeding >99% efficiency. This innovative approach holds immense potential for advancing the realms of green chemistry and environmental restoration. Various challenges associated with As contamination and treatment are highlighted, and proposed solutions are discussed. The review emphasizes the urgent need to advance treatment technologies, improve monitoring methods, and enhance regulatory frameworks. Looking outlook, the article underscores the importance of fostering research efforts, raising public awareness, and fostering interdisciplinary collaboration to address this critical environmental issue. Such efforts are vital for UN Sustainable Development Goals, especially clean water and sanitation (Goal 6) and climate action (Goal 13), crucial for global sustainability.
Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
- Silvia Mauri
- Gianluca D'Olimpio
- Corneliu Ghica
- Luca Braglia
- Chia-Nung Kuo
- Marian Cosmin Istrate
- Chin Shan Lue
- Luca Ottaviano
- Tomasz Klimczuk
- Danil W. Boukhvalov
- Antonio Politano
- Piero Torelli
2023 Journal of Physical Chemistry Letters
Hydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution transmission electron microscopy. We discovered that the catalytic reaction is driven by surface tin-oxide phases, which protects the underlying Ni atoms from irreversible chemical modifications, increasing the catalyst durability. Moreover, we found that Sn content plays a key role in enhancing the H2 selectivity, with respect to secondary products such as CO2. These findings open new perspectives for the engineering of scalable and low-cost catalysts for hydrogen production.
Hydrophobic (deep) eutectic solvents (HDESs) as extractants for removal of pollutants from water and wastewater – A review
- Mateusz Marchel
- Manoj P Rayaroth
- Chongqing Wang
- Lingshuai Kong
- Javed Khan
- Grzegorz Boczkaj
2023 Full text CHEMICAL ENGINEERING JOURNAL
Deep eutectic solvents (DESs) are a new generation of solvents that attracted increasing attention in diverse applications. In last years, growing number of studies on hydrophobic (deep) eutectic solvents (HDESs) as an alternative extractants for various chemicals from aqueous environments have been reported. This article provides an overview on the usage of HDESs in liquid–liquid extraction (LLE) of different pollutants from water and wastewater, where purified water tends to be further used or released into the environment. Discussed applications were developed for several emerging organic pollutants, such as pharmaceuticals (including antibiotics – ciprofloxacin, sulfamethoxazole, trimethoprim and vasoprotectant – calcium dobesilate), pesticides (neonicotinoids – imidacloprid, thiamethoxam, nitenpyram, acetamiprid), phenolic compounds, metal ions, among others. The particular attention was given to discuss chemical stability of HDESs after contact with water. On this basis, a matrix of possible water stable DESs was proposed. Furthermore, simple protocols to control HDESs solubility were suggested. Finally, the suggestions and guidelines for future research were provided, with focus on most important physicochemical properties of HDESs playing a key role in presented application. A perspective on their future was discussed suggesting that such HDESs-based LLE should be mainly used for pre-treatment of wastewater with high pollution load, followed by adsorption or biological treatment process for removal of HDES traces. This review also highlights a serious environmental issue related to application of HDESs for sample preparation (microextraction) in analytical chemistry. Waste aqueous samples can contain hazardous – HDES related – substances and their utilization should be done with proper care on this aspect.
I love to write and create. Can I earn money doing it? Entrepreneurial process of bloggers
- Julita Wasilczuk
- Jarna Heinonen
2023
New technologies and a new way of looking at the life of future generations, open up new perspectives of entrepreneurial activities. One of them is to run a blog. Although the first blogs appeared many years ago and earning money from running them is also known to bloggers, little research is devoted to this form of entrepreneurship. The analysis of this phenomenon was carried out using the netnography method, which is not common in research on entrepreneurship. The literature review shows that modern technologies have mobilized researchers to search for new definitions and approaches in the study of entrepreneurship. Opening up to the customer and allowing him to co-create the product is one of the changes that digital entrepreneurship, in particular in connection with social media, has introduced. The latter provide not only a commercial product, but also non-commercial values, which nowadays are of great importance (e.g. emotional support, information, knowledge, sense of belonging to the community). A blogger's entrepreneurial process is very broadly similar to a typical entrepreneurial process, consists of a preparatory phase and an implementation phase. However, this similarity is only superficially similar. A blogger must be credible in the eyes of the community to which he directs his blog, which is not and will not necessarily be his clients. This credibility will help him attract clients, both individual and corporate. Each of these groups is interested in a different product: An individual client will purchase in the blogger's store, and a corporate client will be interested in partner cooperation. That is why the preparatory phase mainly includes the legitimization of the blog and the content on it. The difference between traditional entrepreneurs and blogger entrepreneurs also appears in the area of consumers and the product. The blogger deals with customers who pay and those who do not pay - and the latter are the most numerous. However, they are very important in the entrepreneurial process, as they constitute the basis for the monetization of a blog. And since there are non-paying customers, there is also a free product that is the core of all blogging, blogger's regular entries.
Idea zrównoważonego rozwoju
- Anna Kuczyńska-Łażewska
2023
Zrównoważony rozwój to termin bardzo popularny, w ostatnich latach pojawiający się nie tylko w aktach prawnych, statutach i dokumentach strategicznych, lecz także w publikacjach naukowych czy wnioskach grantowych. Dla wielu osób mimo jasności koncepcji i rozumienia przekazu termin ten jest niejednoznaczny i pozwala na dowolną interpretację.
Identification of High-Value Dataset determinants: is there a silver bullet for efficient sustainability-oriented data-driven development?
- Anastasija Nikiforova
- Charalampos Harris Alexopoulos
- Nina Rizun
- Magdalena Ciesielska
2023
Open Government Data (OGD) are seen as one of the trends that has the potential to benefit the economy, improve the quality, efficiency, and transparency of public administration, and change the lives of citizens, and the society as a whole facilitating efficient sustainability-oriented data-driven services. However, the quick achievement of these benefits is closely related to the “value” of the OGD, i.e., how useful, and reusable the data provided by public agencies are for creating value for the above stakeholder. This is where the notion of "high-value datasets" (HVD), defined by the European Commission in Open Data Directive, comes, referring to data that can create the most value for society, the economy, and the environment. This is even more so, considering the proliferation of Artificial Intelligence (AI) and machine learning (ML) applications in various domains. While there are some efforts in that direction, there is still no available framework for identifying country-specific high-value datasets (and their determinants). The objective of the workshop is to raise awareness and build a network of key stakeholders around the HVD issue, to allow each participant to think about how and whether the determination of HVD is taking place in their country, how this can be improved with the help of portal owners, data publishers, data owners, businesses and citizens, what are and can be determinants to be used for identifying HVDs, whether they are SMART. Our main motivation is that, as members of the dg.o community, we can collaboratively answer the above questions, and those raised during the previous two editions of this workshop at ICEGOV2022 and ICOD2022, forming an initial knowledge base, as well as assessing currently used indicators. In this 3rd edition of the workshop, previously obtained results, which make up a list of the most promising indicators, will be discussed, validated and possibly refined through live discussions with the workshop participants following the DELPHI method.
Identification of ship’s hull mathematical model with numerical methods
- Agnieszka Piekło
- Paweł Hoffmann
- Anna Witkowska
- Tomasz Zubowicz
2023 Full text
The modern maritime industry is moving toward the development of technology that will allow for full or partial autonomy of ship operation. This innovation places high demands on ship performance prediction techniques at the design stage. The researchwork presented in the article is related to the design stage of the ship and concerns methods for prognosis and evaluation of the specific operational condition of the ship, namely the dynamic positioning (DP). The paper is an introduction to a study that seeks to assess the impact of using advanced simulation models on the accuracy of DP capability prediction. To this end, the Potential Theory and methods of Computational Fluid Dynamics (CFD) are applied to determine the mathematical model of the ship. The parameters obtained in the course of simulation studies have been compared to those obtained experimentally. The study showed that the proposed method is sufficiently accurate for the purposes of determining the added mass and damping coefficients of the ship. Consequently, it is considered that design offices could improve the accuracy of the DP prediction by using mathematical modeling and numerical methods to estimate selected ship parameters.
Impact assessment culture in the European Union. Time for something new?
- Andrea Saltelli,
- Marta Kuc-Czarnecka
- Samuele Lo Piano
- Máté János Lőrincz
- Magdalena Olczyk
- Arnald Puy,
- Erik, S. Reinert
- Stefán Thor Smith
- Jeroen P. van der Sluijs
2023 Full text ENVIRONMENTAL SCIENCE & POLICY
Current approaches and cultures for the economic evaluations of environmental and health policies may suffer from excessive reliance on a standard neoclassic economic toolbox that neglects alternative perspectives. This may prematurely limit the spectrum of available policy options. Here we show how the inclusion of neglected currents of thought such as non-Ricardian economics, bioeconomics and a set of qualitative-quantitative methods from post-normal science leads to richer perspectives for a more inclusive uses of quantitative evidence, and opens the analysis to more possible futures. We also present some case studies in the energy, water, health and climate domains that highlight the point in a practical context for a more policy-oriented audience. We situate our analysis in the context of recent calls in the EU for the inclusion of more perspectives from the social sciences and the humanities in environmental assessment works.
Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
- Marc F. Lensink
- Guillaume Brysbaert
- Nessim Raouraoua
- Paul A. Bates
- Marco Giulini
- Rodrigo Vargas Honorato
- Charlotte van Noort
- Joao S. Teixeira
- Alexandre M. J. J. Bonvin
- Ren Kong
- Hang Shi
- Xufeng Lu
- Shan Chang
- Jian Liu
- Zhiye Guo
- Xiao Chen
- Alex Morehead
- Raj S. Roy
- Tianqi Wu
- Nabin Giri
- Farhan Quadir
- Chen Chen
- Jianlin Cheng
- Carlos A. Del Carpio
- Eichiro Ichiishi
- Luis A. Rodriguez‐Lumbreras
- Juan Fernandez‐Recio
- Ameya Harmalkar
- Lee‐Shin Chu
- Sam Canner
- Rituparna Smanta
- Jeffrey J. Gray
- Hao Li
- Peicong Lin
- Jiahua He
- Huanyu Tao
- Sheng‐You Huang
- Jorge Roel‐Touris
- Brian Jimenez‐Garcia
- Charles Christoffer
- Anika J. Jain
- Yuki Kagaya
- Harini Kannan
- Tsukasa Nakamura
- Genki Terashi
- Jacob Verburgt
- Yuanyuan Zhang
- Zicong Zhang
- Hayato Fujuta
- Masakazu Sekijima
- Daisuke Kihara
- Omeir Khan
- Sergei Kotelnikov
- Usman Ghani
- Dzmitry Padhorny
- Dmitri Beglov
- Sandor Vajda
- Dima Kozakov
- Surendra S. Negi
- Tiziana Ricciardelli
- Didier Barradas‐Bautista
- Zhen Cao
- Mohit Chawla
- Luigi Cavallo
- Romina Oliva
- Rui Yin
- Melyssa Cheung
- Johnathan D. Guest
- Jessica Lee
- Brian G. Pierce
- Ben Shor
- Tomer Cohen
- Matan Halfon
- Dina Schneidman‐Duhovny
- Shaowen Zhu
- Rujie Yin
- Yuanfei Sun
- Yang Shen
- Martyna Maszota-Zieleniak
- Krzysztof Bojarski
- Emilia Lubecka
- Mateusz Marcisz
- Annemarie Danielsson
- Lukasz Dziadek
- Margrethe Gaardlos
- Artur Gieldon
- Adam Liwo
- Sergey A. Samsonov
- Rafał Ślusarz
- Karolina ZiĘba
- Adam Sieradzan
- Cezary Czaplewski
- Shinpei Kobayashi
- Yuta Miyakawa
- Yasuomi Kiyota
- Mayuko Takeda-shitaka
- Kliment Olechnovič
- Lukas Valancauskas
- Justas Dapkunas
- Česlovas Venclovas
- Bjorn Wallner
- Lin Yang
- Chengyu Hou
- Xiaodong He
- Shuai Guo
- Shenda Jiang
- Xiaoliang Ma
- Rui Duan
- Liming Qui
- Xianjin Xu
- Xiaoqin Zou
- Sameer Velankar
- Shoshana J. Wodak
2023 Full text PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
We present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups and by 15 CAPRI scorer groups were evaluated using the CAPRI model quality measures and the DockQ score consolidating these measures. The prediction performance was quantified by a weighted score based on the number of models of acceptable quality or higher submitted by each group among their five best models. Results show substantial progress achieved across a significant fraction of the 60+ participating groups. High-quality models were produced for about 40% of the targets compared to 8% two years earlier. This remarkable improvement is due to the wide use of the AlphaFold2 and AlphaFold2-Multimer software and the confidence metrics they provide. Notably, expanded sampling of candidate solutions by manipulating these deep learning inference engines, enriching multiple sequence alignments, or integration of advanced modeling tools, enabled top performing groups to exceed the performance of a standard AlphaFold2 Multimer version used as a yard stick. This notwithstanding, performance remained poor for complexes with antibodies and nanobodies, where evolutionary relationships between the binding partners are lacking, and for complexes featuring conformational flexibility, clearly indicating that the prediction of protein complexes remains a challenging problem.
Impact of blending with polystyrene on the microstructural and electrochemical properties of SiOC ceramic
- Monika Wilamowska-Zawłocka
- Magdalena Graczyk-Zajac
2023 Full text International Journal of Applied Ceramic Technology
In this work, we present the electrochemical behavior and microstructural analysis of silicon oxycarbide (SiOC) ceramics influenced by an addition of polystyrene (PS). Polymer-derived ceramics were obtained by pyrolysis (1000°C, Ar atmosphere) of different polysiloxanes prepared by sol–gel synthesis. This method is very effective to obtain desired composition of final ceramic. Two alkoxysilanes phenylthriethoxysilane and diphenyldimethoxysilane were used as precursors. Before pyrolysis polysiloxanes were mixed with PS using toluene as a solvent. Blending with PS affects the microstructure and free carbon content in the final ceramic material. Free carbon phase has been confirmed to be a major lithium storage host. Nevertheless, we demonstrate here that capacity does not increase linearly with increasing carbon content. We show that the amount of SiO4 units in the SiOC microstructure increases the initial capacity but decreases the cycling stability and rate capability of the material. Furthermore, the microstructure of the free carbon influences the electrochemical performance of the ceramic: More ordered graphitic clusters favor better rate capability performance.