Article
Chemistry, Multidisciplinary
Chandan Kumar Tiwari, Shubasis Roy, Tal Tubul-Sterin, Mark Baranov, Nitai Leffler, Mu Li, Panchao Yin, Alevtina Neyman, Ira A. A. Weinstock
Summary: The use of hexaniobate cluster-anions can inhibit the growth of metal-oxide nanocrystals and stabilize them as water-soluble complexes. This method allows for the formation of metal-oxide nanocrystals with quantum-confinement effects, which exhibit attractive size-dependent properties for applications in electronic devices and catalysis. The findings suggest that polyoxoniobate-ligand entrapment could be a general method for harnessing the size-dependent properties of very small semiconductor nanocrystals as the cores of versatile, entirely-inorganic complexes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Barbara N. Nunes, Detlef W. Bahnemann, Antonio Otavio T. Patrocinio
Summary: Layered niobates are photocatalysts for H-2 evolution, but their performance is limited by wide band gap energy and surface poisoning by H2O2. This study modified the surface of hexaniobate layers with metal ions, leading to enhanced photoactivity under UV irradiation, especially when Co(II) ions were used. The addition of Pt as an electron acceptor further improved H2 evolution rate.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Microbiology
Anna Kedziora, Robert Wieczorek, Mateusz Speruda, Iva Matolinova, Tomasz M. Goszczynski, Ireneusz Litwin, Vladimir Matolin, Gabriela Bugla-Ploskonska
Summary: This study aimed to compare the antibacterial mode of action of silver ions and silver nanoformulations against E. coli strains, revealing their interactions with proteins and proposing explanations for the differences in their interactions based on computational methods. The findings provide insights into the mechanisms of action of silver ions and nanoformulations against bacteria.
FRONTIERS IN MICROBIOLOGY
(2021)
Article
Spectroscopy
Hanna S. Abbo, Chin Hung Lai, Salam J. J. Titinchi
Summary: The electronic spectra of chalcone derivatives were measured in ethanol and cyclohexane. Three band systems were identified, including local excitation of PhCH and PhCO rings and a charge transfer band associated with the CO-CH=CH moiety. The solvent affects the absorption spectra and causes the charge transfer band to consist of two electronic transitions. The study also investigated the effect of substituents on the phenyl rings of the chalcone derivatives.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Physical
Fernando Steffler, Roberto L. A. Haiduke
Summary: This study investigates the consecutive protonation process of Lindqvist hexaniobate in water and finds significant geometric distortions during the protonation. The main electronic transitions are still associated with electronic charge transfer, with excitation wavelengths between 240 and 200 nm.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Environmental Sciences
S. Orozco, M. Rivero, E. Montiel, J. Espino Valencia
Summary: Heterogeneous photocatalysis is an efficient process for degrading recalcitrant and emerging pollutants. In this study, gallium-based catalysts doped with Fe ions (GOFe) showed improved photocatalytic activity for the degradation of Rhodamine B dye. The presence of Fe ions decreased the bandgap of the gallium oxide matrix, allowing it to activate under visible light. The best discoloration results were observed under acidic conditions (pH = 3.00) for both visible and visible-UV light sources.
FRONTIERS IN ENVIRONMENTAL SCIENCE
(2022)
Article
Acoustics
A. Clot, J. W. R. Meggitt, R. S. Langley, A. S. Elliott, A. T. Moorhouse
Summary: The study investigates the statistical properties of frequency response functions (FRFs) of structures and their potential application in vibro-acoustic models. Experimental data can be a suitable alternative for numerical techniques as long as an ensemble of systems can be measured. Additionally, a method based on virtual point masses is proposed for cases where experimental randomization is challenging, but it may be sensitive to measurement imprecisions in lightly damped structures.
JOURNAL OF SOUND AND VIBRATION
(2021)
Article
Materials Science, Multidisciplinary
Rihab Jlaiel, Slim Elleuch, Souhir Abid, Younes Abid, Houcine Ammar
Summary: The photophysical properties of a set of newly synthesized iminocoumarins and their N-substituted dyes were investigated using experimental and theoretical methods. The study revealed the effects of substitution and coupling on the light absorption and emission characteristics, and yielded attractive findings that are significant for optoelectronic device applications.
Review
Environmental Sciences
Nidhi Deshwal, Madhur Babu Singh, Indra Bahadur, Neha Kaushik, Nagendra Kumar Kaushik, Prashant Singh, Kamlesh Kumari
Summary: Graphene oxide, a two-dimensional carbon nanomaterial, has gained significant popularity in the past decade due to its easy dispersion in water and extensive research in various fields. The unique chemical structure of graphene oxide, which includes hydrophilic functional groups and sp2 carbon domains, contributes to its exceptional properties and compatibility with various compounds. Its interactions with metal ions allow for their effective removal, making it a promising material for industrial-scale applications.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Computer Science, Artificial Intelligence
Viktor Zaverkin, Johannes Kaestner
Summary: The paper introduces a novel active learning approach that utilizes the output variance of the estimated model within the framework of optimal experimental design, offering advantages in predictive power and computational efficiency compared to established methods.
MACHINE LEARNING-SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Inorganic & Nuclear
Gurjaspreet Singh, Sushma, Priyanka, Suman, Diksha, Jashan Deep Kaur, Anamika Saini, Anita Devi, Pinky Satija
Summary: The study describes the synthesis and characterization of Schiff base-acetylene functionalized organosilatranes and their high selectivity towards Zn2+ and Co2+ ions. Calculated association constants and limits of detection were provided, along with DFT calculations to understand the interacting behavior of the sensor towards the ions.
INORGANICA CHIMICA ACTA
(2021)
Article
Biochemistry & Molecular Biology
Marek Pajak, Magdalena Wozniczka, Jakub Fichna
Summary: In this study, the complexing properties of ceftazidime with Fe(III) ions in aqueous solutions were characterized using UV-vis spectrophotometric and potentiometric methods. The stability constant for the Fe(III)-ceftazidime complex was calculated based on pH-metric studies.
Article
Chemistry, Multidisciplinary
Aly Abdou, Omran A. Omran, Ayman Nafady, Igor S. Antipin
Summary: Computational exploration was conducted on three derivatives of p-tertbutylthiacalix[4]arene to investigate their chemical properties. The compounds showed high uptake efficacy of alkali, heavy, and transition metal ions. Theoretical calculations were performed to analyze their IR and UV-Vis spectral features, as well as rank their chemical reactivity. The compounds were found to be excellent candidates for NLO materials based on their NLO properties.
ARABIAN JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Physical
Zakir Ullah, Aicha Kraimi, Hyun Jee Kim, Sooin Jang, Y. Sheena Mary, Hyung Wook Kwon
Summary: A novel Schiff base was synthesized and demonstrated highly selective detection of SO2 molecule and F ion. The sensor achieved a detection limit below the permissible limit of F concentration in drinking water and showed potential applicability and reusability. Additionally, the Schiff base exhibited excellent binding activity with SARS-CoV-2.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Manufacturing
Frederic Albertini, Justin Dirrenberger, Cyrille Sollogoub, Tobias Maconachie, Martin Leary, Andrey Molotnikov
Summary: The study investigated the influence of a compliant hyperelastic polymeric phase infiltrated in stiff auxetic lattices and found that filling lattices could enhance the specific energy absorption and absorption efficiency of architectural materials, improving their mechanical properties.
ADDITIVE MANUFACTURING
(2021)
Article
Chemistry, Inorganic & Nuclear
Korey P. Carter, Kurt F. Smith, Toni Tratnjek, Gauthier J-P Deblonde, Liane M. Moreau, Julian A. Rees, Corwin H. Booth, Rebecca J. Abergel
Summary: The study investigated the interactions between octadentate hydroxypyridinone (HOPO) and catecholamide (CAM) chelating ligands and uranium through various spectroscopic and electrochemical techniques. Results showed controlled binding and stabilization of U-IV with different chelators, with the 3,4,3-LI(1,2-HOPO) forming a tetravalent uranium complex inert to oxidation in acidic solution. Additionally, U-IV was found to be less extensively stabilized at physiological pH, with a mix of U-IV and U-VI complexes observed.
INORGANIC CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Alexander Muller, Gauthier J-P Deblonde, Peter Ercius, Steven E. Zeltmann, Rebecca J. Abergel, Andrew M. Minor
Summary: In this work, the authors utilize transmission electron microscopy to characterize highly-radioactive compounds of berkelium and californium, requiring only small amounts of the elements. They find that berkelium exhibits unexpectedly weak spin-orbit coupling, while californium follows a jj coupling scheme.
NATURE COMMUNICATIONS
(2021)
Article
Engineering, Environmental
Ziye Dong, Gauthier Deblonde, Andrew Middleton, Dehong Hu, Alice Dohnalkova, Libor Kovarik, Odeta Qafoku, Vaithiyalingam Shutthanandan, Hongyue Jin, Heileen Hsu-Kim, Nolan Theaker, Yongqin Jiao, Dan Park
Summary: Scandium (Sc) has potential for aerospace and clean energy applications, but its supply is limited. A biosorption-based process was developed to extract Sc from low-grade feedstocks effectively, showing high Sc selectivity against lanthanides and major base metals.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Leticia Arnedo-Sanchez, Kurt F. Smith, Gauthier J. -P. Deblonde, Korey P. Carter, Liane M. Moreau, Julian A. Rees, Toni Tratnjek, Corwin H. Booth, Rebecca J. Abergel
Summary: An ideal chelator for f-elements should have rapid kinetics of complexation, high thermodynamic stability, and slow kinetics of dissociation. The synthesized macrocyclic ligand forms thermodynamically stable complexes with lanthanides and a representative late actinide, with EXAFS data showing an increase in bond lengths. Luminescence studies indicate the presence of water molecules in the inner metal coordination spheres.
Article
Chemistry, Multidisciplinary
Gauthier J-P Deblonde, Joseph A. Mattocks, Huan Wang, Eric M. Gale, Annie B. Kersting, Mavrik Zavarin, Joseph A. Cotruvo
Summary: The research reveals high affinity of natural lanthanide-binding protein Lanmodulin for heavy actinides, with higher binding affinity compared to lanthanides with similar ionic radius. These results suggest that proteins may play important roles in speciation and mobility of actinides in the environment.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Instruments & Instrumentation
Korey P. Carter, Jennifer N. Wacker, Kurt F. Smith, Gauthier J-P Deblonde, Liane M. Moreau, Julian A. Rees, Corwin H. Booth, Rebecca J. Abergel
Summary: The solution-state interactions of plutonium and berkelium with the chelator 343-HOPO were investigated using X-ray absorption spectroscopy, revealing the formation of Pu(III) and Bk(III) coordination complexes. The measurements provided insights into the redox chemistry of the actinide metals and the periodicity of the actinide series.
JOURNAL OF SYNCHROTRON RADIATION
(2022)
Review
Chemistry, Applied
Gauthier J-P Deblonde, Alexandre Chagnes, Gerard Cote
Summary: This review highlights the importance of hydrometallurgical processes for strategic industrial sectors and compares traditional separation methods with emerging ones. It also reviews the progress made on separation methods over the past two decades and identifies the challenges faced by hydrometallurgists in academia and the industry.
SEPARATION AND PURIFICATION REVIEWS
(2023)
Article
Chemistry, Multidisciplinary
Ian Colliard, Jonathan R. Lee, Christopher A. Colla, Harris E. Mason, April M. Sawvel, Mavrik Zavarin, May Nyman, Gauthier J-P Deblonde
Summary: This study demonstrates the successful synthesis and study of metal-ligand complexes from microgram quantities using polyoxometalates (POMs), overcoming the limitations of toxicity, cost, and isotope scarcity. The research also reveals subtle differences between solution and solid-state chemistry, as well as actinide and lanthanide behavior.
Article
Chemistry, Inorganic & Nuclear
Christopher A. Colla, Ian Colliard, April M. Sawvel, May Nyman, Harris E. Mason, Gauthier J. -P. Deblonde
Summary: This study investigates the structure and chemistry of americium and curium using polyoxometalates (POMs) as chelating ligands. NMR measurements reveal the formation of stable complexes between POMs and the actinides in phosphate-containing solutions. The POM-NMR approach allows for the study of trace amounts of americium and curium, providing a new avenue for investigating heavy actinides and other radionuclides.
INORGANIC CHEMISTRY
(2023)
Article
Physics, Multidisciplinary
Lucie Duplouy, Matthieu Hureau, Aurelien Moncomble, Svetlana Mintova, Olivier Gardoll, Alain Moissette, Vincent De Waele
Summary: The photo-physical properties of dicyanoanthracene (DCA) molecules adsorbed on the external surface of ZSM-5 zeolite, forming DCA@ZSM-5 composites, were investigated. It was found that following the photoexcitation of DCA@ZSM-5 at 420 nm, the formation of localized excited states (LE) emitting below 500 nm was observed. The LE states were rapidly converted into two distinct exciplex species, EX1 and EX2, detected by their emission above 520 nm, with different lifetimes and CN stretching vibration frequencies.
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS
(2023)
Article
Engineering, Environmental
Gauthier J. -P. Deblonde, Keith Morrison, Joseph A. Mattocks, Joseph A. Cotruvo, Mavrik Zavarin, Annie B. Kersting
Summary: Minor actinides play a significant role in the radiotoxicity of nuclear fuels and radioactive wastes. Understanding their interactions with natural chelators and minerals is crucial for evaluating their transport behavior in the environment.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Elise Leclercq, Aurelien Moncomble, Celine Debavelaere, Mathieu Beaucamp, Mael Penhoat, Laetitia Chausset-Boissarie
Summary: In this study, direct C3 trifluoromethylation of 2-pyridones was achieved by an electrochemical method without the need for electrolytes. The readily available Langlois reagent was used as the CF3 source. The reaction occurred site-selectively under transition metal- and oxidant-free conditions, giving moderate to good yields under ambient conditions. Interestingly, significant improvements were observed in terms of acceleration rates, yields, selectivities, and reduced energy consumption under microfluidic conditions.
Article
Chemistry, Multidisciplinary
Joseph A. Mattocks, Joseph A. Cotruvo, Gauthier J-P Deblonde
Summary: This study characterizes the metal-binding sites of LanM and reveals that metal-coordinated water molecules enhance its affinity for f-elements. By tuning the first-sphere/second-sphere interaction, the selectivity of LanM for actinides over lanthanides can be improved.
Article
Chemistry, Multidisciplinary
Roger M. Pallares, Dahlia D. An, Gauthier J-P Deblonde, Birgitta Kullgren, Stacey S. Gauny, Erin E. Jarvis, Rebecca J. Abergel
Summary: This study investigated the biodistribution and excretion profiles of four transplutonium actinides in a small animal model, as well as the effects of two therapeutic chelators on these elements. The results showed element-dependent organ deposition patterns, with lower atomic number radionuclides exhibiting higher accumulation ratios in certain organs. Furthermore, treatment with the therapeutic agent significantly decreased the metal content in multiple organs. The systematic comparison of radionuclide biodistributions may offer insights for the design of new bio-inspired chelating systems with improved sequestration and separation performance.