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  • Closed-loop stimulation of temporal cortex rescues functional networks and improves memory

    Publication
    • Y. Ezzyat
    • P. A. Wanda
    • D. F. Levy
    • A. Kadel
    • A. Aka
    • I. Pedisich
    • M. R. Sperling
    • A. Sharan
    • B. C. Lega
    • A. Burks... and 12 others

    - Nature Communications - Year 2018

    Memory failures are frustrating and often the result of ineffective encoding. One approach to improving memory outcomes is through direct modulation of brain activity with electrical stimulation. Previous efforts, however, have reported inconsistent effects when using open-loop stimulation and often target the hippocampus and medial temporal lobes. Here we use a closed-loop system to monitor and decode neural activity from direct...

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  • Students and Young Professionals of the IEEE IES in the Time of Information, Automation, and Energy Transformation [Students and Young Professionals News]

    Publication
    • W. Dai
    • K. F. Tsang
    • L. L. Bello
    • Y. Ibrahim
    • F. Michal
    • M. Turzyński
    • L. S. Sahesch-Pur
    • R. Roos
    • A. Al-Dulaimy
    • M. Behnam
    • M. Jasinski

    - IEEE Industrial Electronics Magazine - Year 2022

    Reports on IEEE IES Society student activities in year 2021.

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  • Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field

    Publication
    • A. K. Sieradzan
    • C. Czaplewski
    • P. Krupa
    • M. Mozolewska
    • A. S. Karczyńska
    • A. G. Lipska
    • E. Lubecka
    • E. Gołaś
    • T. Wirecki
    • M. Makowski... and 2 others

    - Year 2022

    The physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...

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  • Novel Cold Crucible Ultrasonic Atomization Powder Production Method for 3D Printing

    Publication
    • Ł. Żrodowski
    • R. Wróblewski
    • T. Choma
    • B. Morończyk
    • M. Ostrysz
    • M. Leonowicz
    • W. Łacisz
    • P. Błyskun
    • J. S. Wróbel
    • G. Cieślak... and 3 others

    - Materials - Year 2021

    : A new powder production method has been developed to speed up the search for novel alloys for additive manufacturing. The technique involves an ultrasonically agitated cold crucible installed at the top of a 20 kHz ultrasonic sonotrode. The material is melted with an electric arc and undergoes pulverization with standing wave vibrations. Several different alloys in various forms, including noble and metallic glass alloys, were...

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  • Hydrochar-nanoparticle integration for arsenic removal from wastewater: Challenges, possible solutions, and future horizon

    Publication

    - ENVIRONMENTAL RESEARCH - Year 2023

    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...

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  • Synthesis of green benzamide-decorated UiO-66-NH2 for biomedical applications

    Publication
    • N. Rabiee
    • A. M. Ghadiri
    • V. Alinezhad
    • A. Sedaghat
    • S. Ahmadi
    • Y. Fatahi
    • P. Makvandi
    • M. Saeb
    • M. Bagherzadeh
    • M. Asadnia... and 2 others

    - CHEMOSPHERE - Year 2022

    Metal-organic frameworks (MOFs) biocompatible systems can host enzymes/bacteria/viruses. Herein we synthesized a series of fatty acid amide hydrolase (FAAH)-decorated UiO-66-NH2 based on Citrus tangerine leaf extract for drug delivery and biosensor applications. Five chemically manipulated FAAH-like benzamides were localized on the UiO-66-NH2 surface with physical interactions. Comprehensive cellular and molecular analyses were...

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  • An Innovative Antenna Array with High Inter Element Isolation for Sub-6 GHz 5G MIMO Communication Systems

    Publication

    - Scientific Reports - Year 2022

    A novel technique is shown to improve the isolation between radiators in antenna arrays. The proposed technique suppresses the surface-wave propagation and reduces substrate loss thereby enhancing the overall performance of the array. This is achieved without affecting the antenna’s footprint. The proposed approach is demonstrated on a four-element array for 5G MIMO applications. Each radiating element in the array is constituted...

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  • Microplastics in water resources: Global pollution circle, possible technological solutions, legislations, and future horizon

    Publication
    • S. S. Albaseer
    • H. Al-Hazmi
    • T. A. Kurniawan
    • X. Xu
    • S. A. Abdulrahman
    • P. Ezzati
    • S. Habibzadeh
    • H. Hollert
    • N. Rabiee
    • E. C. Lima... and 2 others

    - SCIENCE OF THE TOTAL ENVIRONMENT - Year 2024

    Beneath the surface of our ecosystems, microplastics (MPs) silently loom as a significant threat. These minuscule pollutants, invisible to the naked eye, wreak havoc on living organisms and disrupt the delicate balance of our environment. As we delve into a trove of data and reports, a troubling narrative unfolds: MPs pose a grave risk to both health and food chains with their diverse compositions and chemical characteristics....

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  • Polysaccharide-based Nanocomposites for Biomedical Applications: A Critical Review

    Publication
    • H. Shokrani
    • A. Shokrani
    • S. M. Sajadi
    • M. Khodadadi Yazdi
    • F. Seidi
    • M. Jouyandeh
    • P. Zarrintaj
    • S. Kar
    • S. Kim
    • T. Kuang... and 4 others

    - Nanoscale Horizons - Year 2022

    Polysaccharides (PSA) are taking specific position among biomaterials for advanced applications in medicine. Nevertheless, poor mechanical properties is known as the main drawback of PSA, which highlights need for PSA modification. Nanocomposites PSA (NPSA) are a class of biomaterials widely used as biomedical platforms, but despite their importance and worldwide use have not been reviewed. Herein we critically reviewed application...

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  • Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ

    Publication

    - DALTON TRANSACTIONS - Year 2022

    Ba1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is...

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  • Customizing nano-chitosan for sustainable drug delivery

    Publication
    • M. Saeedi
    • O. Vahidi
    • M. R. Moghbeli
    • S. Ahmadi
    • M. Asadnia
    • O. Akhavan
    • F. Seidi
    • M. Rabiee
    • M. Saeb
    • T. J. Webster... and 4 others

    - JOURNAL OF CONTROLLED RELEASE - Year 2022

    Chitosan is a natural polymer with acceptable biocompatibility, biodegradability, and mechanical stability; hence, it has been widely appraised for drug and gene delivery applications. However, there has been no comprehensive assessment to tailor-make chitosan cross-linkers of various types and functionalities as well as complex chitosan-based semi- and full-interpenetrating networks for drug delivery systems (DDSs). Herein, various...

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  • Metal-organic frameworks (MOF) based heat transfer: A comprehensive review

    Publication
    • M. Moayed Mohseni
    • M. Jouyandeh
    • S. Mohammad Sajadi
    • A. Hejna
    • S. Habibzadeh
    • A. Mohaddespour
    • N. Rabiee
    • H. Daneshgar
    • O. Akhavan
    • M. Asadnia... and 4 others

    - CHEMICAL ENGINEERING JOURNAL - Year 2022

    Higher than a standard level, the humidity provides a suitable environment for the pathogenic microorganisms to grow and increases energy consumption for cooling, increasing greenhouse gas emissions. Desiccant air-conditioning (DAC) is an effective method to reduce humidity and energy simultaneously. Conventional desiccants are not suitable for use as a desiccant in building air conditioners, mainly because of high regeneration...

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  • Experimental review of the performances of protective coatings for interconnects in solid oxide fuel cells

    Publication
    • M. J. Reddy
    • B. Kamecki
    • B. Talic
    • E. Zanchi
    • F. Smeacetto
    • J. S. Hardy
    • J. C. Choi
    • Ł. Mazur
    • R. Vaßen
    • S. N. Basu... and 3 others

    - JOURNAL OF POWER SOURCES - Year 2023

    Ferritic stainless steel interconnects are used in solid oxide fuel cells; however, coatings are required to improve their performance. Although several types of coatings have been proposed, they have been scarcely investigated under similar conditions. This study compares the characteristics of uncoated Crofer 22 APU and eight different coatings on Crofer 22 APU for up to 3000 h at 800 ◦C. The coatings were deposited at various...

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  • Expert System and Decision Support System for Electrocardiogram Interpretation and Diagnosis: Review, Challenges and Research Directions

    Publication
    • K. S. Adewole
    • H. A. Mojeed
    • J. A. Ogunmodede
    • L. A. Gabralla
    • N. Faruk
    • A. Abdulkarim
    • E. Ifada
    • Y. Y. Folawiyo
    • A. A. Oloyede
    • L. A. Olawoyin... and 4 others

    - Applied Sciences-Basel - Year 2022

    Electrocardiography (ECG) is one of the most widely used recordings in clinical medicine. ECG deals with the recording of electrical activity that is generated by the heart through the surface of the body. The electrical activity generated by the heart is measured using electrodes that are attached to the body surface. The use of ECG in the diagnosis and management of cardiovascular disease (CVD) has been in existence for over...

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  • Joint experimental and theoretical study on low-energy elastic electron scattering by gaseous alkynes: Differential cross sections, shape resonances, and methylation effects

    Publication
    • M. Khakoo
    • G. Tatreau
    • J. G. Childers
    • K. Oen
    • J. Fernandez
    • B. Hlousek
    • M. Zawadzki
    • F. P. Bardela
    • L. V. S. Dalagnol
    • G. M. Moreira... and 2 others

    - PHYSICAL REVIEW A - Year 2022

    A detailed comparison of experimental and theoretical elastic cross sections for low-energy electron scattering by ethyne, taken earlier in our group by Gauf et al. [Phys. Rev. A 87, 012710 (2013)], and some of its methylated derivatives, propyne, and the isomers 1-butyne and 2-butyne, taken here, are presented. The present differential cross sections were measured at incident electron energies ranging from 1 eV to 30 eV and...

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  • Metal nanoparticles-assisted early diagnosis of diseases

    Publication
    • M. Jouyandeh
    • S. M. Sajadi
    • F. Seidi
    • S. Habibzadeh
    • M. T. Munir
    • O. Abida
    • S. Ahmadi
    • D. Kowalkowska-Zedler
    • N. Rabiee
    • M. Rabiee... and 4 others

    - OpenNano - Year 2022

    Early diagnosis is essential for the effective illness treatment, but traditional diagnostic approaches inevitably have major downsides. Recent advancements in nanoparticle-based biosensors have created new opportunities for accelerating diagnosis. High surface area, exceptional sensitivity, high specificity, and optical characteristics of metal and metal oxide nanoparticles have made it possible to detect a variety of health conditions...

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  • A new approach to β-decays studies impacting nuclear physics and astrophysics: The PANDORA setup

    Publication
    • D. Mascali
    • D. Santonocito
    • M. M. Busso
    • L. Celona
    • A. Galatà
    • M. La Cognata
    • G. S. Mauro
    • A. Mengoni
    • E. Naselli
    • F. Odorici... and 5 others

    - EPJ Web of Conferences - Year 2023

    Theory predicts that lifetimes of β-radionuclides can change dramatically as a function of their ionization state. Experiments performed in Storage Rings on highly ionized atom have proven nuclei can change their beta decay lifetime up to several orders of magnitude. The PANDORA (Plasmas for Astrophysics, Nuclear Decay Observation and Radiation for Archaeometry) experiment is now conceived to measure, for the first time, nuclear...

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  • High gain/bandwidth off‑chip antenna loaded with metamaterial unit‑cell impedance matching circuit for sub‑terahertz near‑field electronic systems

    Publication
    • M. Alibakhshikenari
    • B. S. Virdee
    • D. Mariyanayagam
    • V. Vadala
    • M. Naser-moghadasi
    • C. H. See
    • I. Dayoub
    • S. Aissa
    • P. Livreri
    • S. N. Burokur... and 4 others

    - Scientific Reports - Year 2022

    An innovative off-chip antenna (OCA) is presented that exhibits high gain and efficiency performance at the terahertz (THz) band and has a wide operational bandwidth. The proposed OCA is implemented on stacked silicon layers and consists of an open circuit meandering line. It is shown that by loading the antenna with an array of subwavelength circular dielectric slots and terminating it with a metamaterial unit cell, its impedance...

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  • CaZnO-based nanoghosts for the detection of ssDNA, pCRISPR and recombinant SARS-CoV-2 spike antigen and targeted delivery of doxorubicin

    Publication
    • N. Rabiee
    • O. Akhavan
    • Y. Fatahi
    • A. M. Ghadiri
    • M. Kiani
    • P. Makvandi
    • M. Rabiee
    • M. H. Nicknam
    • M. Saeb
    • R. S. Varma... and 4 others

    - CHEMOSPHERE - Year 2022

    Overexpression of proteins/antigens and other gene-related sequences in the bodies could lead to significant mutations and refractory diseases. Detection and identification of assorted trace concentrations of such proteins/antigens and/or gene-related sequences remain challenging, affecting different pathogens and making viruses stronger. Correspondingly, coronavirus (SARS-CoV-2) mutations/alterations and spread could lead to overexpression...

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  • A comprehensive survey on low-cost ECG acquisition systems: Advances on design specifications, challenges and future direction

    Publication
    • N. Faruk
    • A. Abdulkarim
    • I. Emmanuel
    • Y. Y. Folawiyo
    • K. S. Adewole
    • H. A. Mojeed
    • A. A. Oloyede
    • L. A. Olawoyin
    • I. A. Sikiru
    • M. Nehemiah... and 5 others

    - Biocybernetics and Biomedical Engineering - Year 2021

    Availability of low-cost, reliable, and portable Electrocardiography (ECG) devices is still very important in the medical world today. Despite the tremendous technological advancement, Cardiovascular Diseases (CVDs) remain a serious health burden claiming millions of lives on an annual basis globally. This is more prevalent in Low and Middle-Income Countries (LMICs) where there are huge financial instability and lack of critical...

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  • Thermoplastic starch nanocomposites using cellulose-rich Chrysopogon zizanioides nanofibers

    Publication
    • M. Dominic C.D.
    • D. dos Santos Rosa
    • P. H. Camani
    • A. S. Kumar
    • N. K.v.
    • P. S. Begum
    • D. Dinakaran
    • E. John
    • D. Baby
    • M. M. Thomas... and 3 others

    - INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES - Year 2021

    Green thermoplastic starch (TPS) nanocomposite films aided by cellulose nanofibers (CNFs) from Chrysopogon zizanioides roots were developed and characterized. When compared to other lignocellulosic fibers, Chrysopogon zizanioides roots revealed exceptionally high cellulose content (~48%). CNFs were separated using an environmentally friendly acid isolation technique that included three stages: (i) alkali treatment; (ii) bleaching;...

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  • The selective salinity and hydrazine parameters for the start-up of non-anammox-specific biomass SBR

    Publication
    • I. Zekker
    • E. Rikmann
    • J. Oja
    • S. Anslan
    • A. F. Borzyszkowska
    • A. Zielińska-Jurek
    • R. Kumar
    • L. A. Shah
    • M. Naeem
    • M. Zahoor... and 5 others

    - International Journal of Environmental Science and Technology - Year 2023

    The presence of ammonium (NH 4+ ) in wastewater above the permissible limits leads to undesirable ecological impact and public health concerns. In this study, the anaerobic ammonium oxidizing (anammox) bacteria-mediated nitrogen removal was investigated using a sequential batch reactor (SBR). Effects of different salinity levels were evaluated on the bacterial activity at: mild (below 0.2 g NaCl/L), elevated (18.2 g NaCl/L) and...

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  • Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters

    Publication
    • S. B. Marković
    • N. Maciejewska
    • M. Olszewski
    • A. Višnjevac
    • A. Puerta
    • J. M. Padrón
    • I. Novaković
    • S. Kojić
    • H. S. Fernandes
    • S. F. Sousa... and 5 others

    - EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY - Year 2022

    The biological activity of Cd compounds has been investigated scarce since Cd has been recognized as a human carcinogen. However, the toxicity of cadmium is comparable to the toxicity of noble metals such as Pt and Pd. The paradigm of metal toxicity has been challenged suggesting that metal toxicity is not a constant property, yet it depends on many factors like the presence of appropriate ligands. Studies on anticancer activity...

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  • Development and evaluation of RADA-PDGF2 self-assembling peptide hydrogel for enhanced skin wound healing

    Publication
    • M. Deptula
    • J. Sawicka
    • P. Sass
    • P. Sosnowski
    • P. Karpowicz
    • M. Zawrzykraj
    • A. Wardowska
    • A. Tymińska
    • M. Dzierżyńska
    • Z. Pietralik-Molińska... and 7 others

    - Frontiers in Pharmacology - Year 2023

    Background: Wound healing complications affect numerous patients each year, creating significant economic and medical challenges. Currently, available methods are not fully effective in the treatment of chronic or complicated wounds; thus, new methods are constantly sought. Our previous studies showed that a peptide designated as PDGF2 derived from PDGF-BB could be a promising drug candidate for wound treatment and that RADA16-I...

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  • Bias-Dependent Dynamics of Degradation and Recovery in Perovskite Solar Cells

    Publication
    • M. Prete
    • M. V. Khenkin
    • D. Głowienka
    • B. R. Patil
    • J. S. Lissau
    • I. Dogan
    • J. Hansen
    • T. Leißner
    • J. Fiutowski
    • H. Rubahn... and 6 others

    - ACS Applied Energy Materials - Year 2021

    Degradation of perovskite solar cells (PSCs) is often found to be partially or fully reversible when the cells are allowed to recover in the dark. Unlike the dynamics of degradation, knowledge about the dynamics of PSC cell recovery is very limited. Here, we demonstrate that the PSC recovery strongly depends on the electrical bias conditions during the light-induced degradation and that it can be manipulated by applying an external...

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  • Assessment of Sewage Molecular Markers: Linear Alkylbenzenes in Sediments of an Industrialized Region in Peninsular Malaysia

    Publication
    • S. A. A. Alkhadher
    • H. Al-Hazmi
    • S. Suratman
    • M. P. Zakaria
    • N. Masood
    • B. Szeląg
    • S. M. Magam
    • E. H. H. Al-Qadami
    • J. Majtacz
    • P. Kowal... and 3 others

    - Water - Year 2023

    In this study, the use of linear alkylbenzenes (LABs) was employed to pinpoint the sources of human activity that cause detrimental impacts on the coastal environment and river ecosystems. LABs were detected using GC–MS in sediment samples assembled from Kim Kim River (KKR) and the Port Dickson coast (PDC). To assess the significance of variations in the distribution and concentrations of LABs across the sampling sites, this study...

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  • Genetic and pharmacologic proteasome augmentation ameliorates Alzheimer’s-like pathology in mouse and fly APP overexpression models

    Publication
    • E. S. Chocron
    • E. Munkácsy
    • H. S. Kim
    • P. Karpowicz
    • N. Jiang
    • C. E. Van Skike
    • N. DeRosa
    • A. Q. Banh
    • J. P. Palavicini
    • P. Wityk... and 6 others

    - Science Advances - Year 2022

    The proteasome has key roles in neuronal proteostasis, including the removal of misfolded and oxidized proteins, presynaptic protein turnover, and synaptic efficacy and plasticity. Proteasome dysfunction is a prominent feature of Alzheimer’s disease (AD). We show that prevention of proteasome dysfunction by genetic manipulation delays mortality, cell death, and cognitive deficits in fly and cell culture AD models. We developed...

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  • Genetic and pharmacologic proteasome augmentation ameliorates Alzheimer’s-like pathology in mouse and fly APP overexpression models

    Publication
    • P. Wityk
    • E. S. Chocron
    • E. Munkácsy
    • H. S. Kim
    • P. Karpowicz
    • N. Jiang
    • V. S. E. Candice
    • N. DeRosa
    • B. Q. Andy
    • P. P. Juan... and 6 others

    - Science Advances - Year 2022

    The proteasome has key roles in neuronal proteostasis, including the removal of misfolded and oxidized proteins, presynaptic protein turnover, and synaptic efficacy and plasticity. Proteasome dysfunction is a prominent feature of Alzheimer’s disease (AD). We show that prevention of proteasome dysfunction by genetic manipulation delays mortality, cell death, and cognitive deficits in fly and cell culture AD models. We developed...

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  • Method-Dependent Epidemiological Cutoff Values for Detection of Triazole Resistance in Candida and Aspergillus Species for the Sensititre YeastOne Colorimetric Broth and Etest Agar Diffusion Methods

    Publication
    • A. Espinel-Ingroff
    • J. Turnidge
    • A. Alastruey-Izquierdo
    • F. Botterel
    • E. Canton
    • C. Castro
    • Y. Chen
    • Y. Chen
    • E. Chryssanthou
    • E. Dannaoui... and 33 others

    - ANTIMICROBIAL AGENTS AND CHEMOTHERAPY - Year 2019

    Although the Sensititre Yeast-One (SYO) and Etest methods are widely utilized, interpretive criteria are not available for triazole susceptibility testing of Candida or Aspergillus species. We collected fluconazole, itraconazole, posaconazole, and voriconazole SYO and Etest MICs from 39 laboratories representing all continents for (method/agent-dependent) 11,171 Candida albicans, 215 C. dubliniensis, 4,418 C. glabrata species complex,...

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  • Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones

    Publication
    • J. B. Araškov
    • N. Maciejewska
    • M. Olszewski
    • A. Višnjevac
    • V. Blagojević
    • H. S. Fernandes
    • S. F. Sousa
    • A. Puerta
    • J. M. Padrón
    • B. B. Holló... and 7 others

    - JOURNAL OF MOLECULAR STRUCTURE - Year 2023

    Thiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...

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  • Sustainable bioethanol production from first- and second-generation sugar-based feedstocks: Advanced bibliometric analysis

    Publication
    • C. E. C. Guimaraes
    • F. S. Neto
    • V. d. C. Bizerra
    • J. G. A. d. Nascimento
    • R. B. R. Valério
    • P. G. d. S. Junior
    • R. L. F. Melo
    • A. A. S. Lopes
    • A. S. Desai
    • M. Bilal... and 3 others

    - Bioresource Technology Reports - Year 2023

    Bioethanol is produced from carbohydrate-containing feedstocks through fermentation. Based on a bibliometric review of studies published between 2012 and 2021, we analyzed those on sustainable bioethanol production. The Web of Science main collection yielded 1647 publications, which were analyzed using VOSViewer, CiteSpace, and ArcMap software. More than half of these publications originated from some Asian countries, corresponding to...

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  • Lessons learned in a decade: Medical‐toxicological view of tattooing

    Publication
    • M. Giulbudagian
    • B. Battisini
    • W. Bäumler
    • A. M. Rico Blass
    • B. Bocca
    • C. Brungs
    • M. Famele
    • M. Foerster
    • B. Gutsche
    • V. Houben... and 12 others

    - JOURNAL OF THE EUROPEAN ACADEMY OF DERMATOLOGY AND VENEREOLOGY - Year 2024

    Tattooing has been part of the human culture for thousands of years, yet only in the past decades has it entered the mainstream of the society. With the rise in popularity, tattoos also gained attention among researchers, with the aim to better understand the health risks posed by their application. 'A medical-toxicological view of tattooing'-a work published in The Lancet almost a decade ago, resulted from the international collaboration...

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  • BASECOL2023 scientific content

    Publication
    • M. L. Dubernet
    • C. Boursier
    • O. Denis-Alpizar
    • Y. Ba
    • N. Moreau
    • C. M. Zwölf
    • M. Amor
    • D. Babikov
    • N. Balakrishnan
    • C. Balança... and 45 others

    - ASTRONOMY & ASTROPHYSICS - Year 2024

    Context. The global context of making numerous data produced by researchers available requires collecting and organising the data, assigning meaningful metadata, and presenting the data in a meaningful and homogeneous way. The BASECOL database, which collects inelastic rate coefficients for application to the interstellar medium and to circumstellar and cometary atmospheres, meets those requirements. Aims. We aim to present the...

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  • Mild X-linked Alport syndrome due to the COL4A5 G624D variant originating in the Middle Ages is predominant in Central/East Europe and causes kidney failure in midlife

    Publication
    • A. M. Żurowska
    • O. Bielska
    • P. Daca-Roszak
    • M. Jankowski
    • M. Szczepańska
    • D. Roszkowska-Bjanid
    • E. Kuźma-Mroczkowska
    • M. Pańczyk-Tomaszewska
    • A. Moczulska
    • D. Drożdż... and 18 others

    - KIDNEY INTERNATIONAL - Year 2021

    A study of 269 children enrolled into a National Registry for children with persistent glomerular hematuria identified 131 individuals with genetically confirmed X-linked Alport Syndrome. A single variant c.1871G>A p.Gly624Asp (G624D) in COL4A5 was predominant and accounted for 39% of Xlinked Alport Syndrome in unrelated Polish families (44 of 113). To evaluate its origins, the genetic variation in a 2.79 Mb segment encompassing...

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  • Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment

    Publication
    • M. F. Lensink
    • G. Brysbaert
    • N. Raouraoua
    • P. A. Bates
    • M. Giulini
    • R. V. Honorato
    • C. van Noort
    • J. S. Teixeira
    • A. M. J. J. Bonvin
    • R. Kong... and 103 others

    - PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS - Year 2023

    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...

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  • The ONETEP linear-scaling density functional theory program

    Publication
    • J. C. A. Prentice
    • J. Aarons
    • J. C. Womack
    • A. E. A. Allen
    • L. Andrinopoulos
    • L. Anton
    • R. A. Bell
    • A. Bhandari
    • G. A. Bramley
    • R. J. Charlton... and 26 others

    - JOURNAL OF CHEMICAL PHYSICS - Year 2020

    We present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...

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  • Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study

    Publication
    • S. Guo
    • C. Beleites
    • U. Neugebauer
    • S. Abalde-Cela
    • N. K. Afseth
    • F. Alsamad
    • S. Anand
    • C. Araujo-Andrade
    • S. Aškrabić
    • E. Avci... and 76 others

    - ANALYTICAL CHEMISTRY - Year 2020

    The variable configuration of Raman spectroscopic platforms is one of the major obstacles in establishing Raman spectroscopy as a valuable physicochemical method within real-world scenarios such as clinical diagnostics. For such real world applications like diagnostic classification, the models should ideally be usable to predict data from different setups. Whether it is done by training a rugged model with data from many setups...

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  • Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment

    Publication
    • M. F. Lensink
    • G. Brysbaert
    • T. Mauri
    • N. Nadzirin
    • S. Velankar
    • R. A. G. Chaleil
    • T. Clarence
    • P. A. Bates
    • R. Kong
    • B. Liu... and 98 others

    - PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS - Year 2021

    We present the results for CAPRI Round 50, the 4th joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of 12 targets, including 6 dimers, 3 trimers, and 3 higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly...

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