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Symmetry breaking charge transfer leading to charge separation in a far-red absorbing bisstyryl-BODIPY dimer

Description: Article describes how symmetry breaking charge transfer is one of the important photo-events occurring in photosynthetic reaction centers that is responsible for initiating electron transfer leading to a long-lived charge-separated state and has been successfully employed in light-to-electricity converting optoelectronic devices. In this study, the authors report a newly synthesized, far-red absorbing and emitting BODIPY-dimer to undergo symmetry-breaking charge transfer leading to charge-separ… more
Date: December 15, 2023
Creator: Yahagh, Aida; Kaswan, Ram R.; Kazemi, Shahrzad; Karr, Paul A. & D'Souza, Francis
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Partner: UNT College of Science
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A Novel ppb-Level Sensitive and Highly Selective Europium-Based Diketone Luminescent Sensor for the Quantitative Detection of Aluminum Ions in Water Samples

Description: Article describes how a novel Eu(tta)3([4,4′-(t-bu)2-2,2′-bpy)] complex (tta-thenoyltrifluoroacetone), a ratiometric luminescent-based optical sensor for the quantitative determination of aluminum ion, is synthesized and characterized using XRD and 1H NMR. The sensor reported here is tested for 11 common cations and shows no interference on sensitivity. According to the authors, this is the first known Eu-based luminescence sensor that successfully exhibited the ability to detect aluminum ions … more
Date: November 6, 2023
Creator: Rajitha Perera, Nawagamu A. K.; Shankar, Sindhu K.; Archambault, Cynthia M.; Nesterov, Vladimir N.; Marpu, Sreekar; Yan, Hao et al.
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Partner: UNT College of Science
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A general large-scale synthesis approach for crystalline porous materials

Description: Article describes how crystalline porous materials such as covalent organic frameworks (COFs) metal-organic frameworks (MOFs) and porous organic changes (POCs) have been widely applied in various fields with outstanding performances. In this work, the authors developed a general approach comprising high pressure homogenization (HPH), which can realize large-scale synthesis of crystalline porous materials including COFs, MOFs, and POCs under benign conditions.
Date: November 2, 2023
Creator: Liu, Xiongli; Wang, An; Wang, Chunping; Li, Jinli; Zhang, Zhiyuan; Al-Enizi, Abdullah M. et al.
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Partner: UNT College of Science
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Improving the Selectivity of the C-C Coupled Product Electrosynthesis by Using Molecularly Imprinted Polymer-An Enhanced Route from Phenol to Biphenol

Description: Authors of the article describe how they developed a procedure for selective 2,4-dimethylphenol, DMPh, direct electro-oxidation to 3,3' ,5,5'-tetramethyl-2,2'-biphenol, TMBh, a C-C coupled product. The authors claim that the procedure is reasonably selective towards TMBh without requiring harmful additives or elevated temperatures.
Date: October 12, 2023
Creator: Sudagar, Alcina Johnson; Shao, Shuai; Żołek, Teresa; Maciejewska, Dorota; Asztemborska, Monika; Cieplak, Maciej et al.
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Partner: UNT College of Science
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Enhanced Corrosion Resistance and Surface Wettability of PVDF/ZnO and PVDF/TiO2 Composite Coatings: A Comparative Study

Description: Article describes how this study aims to enhance the practical performance of PVDF/ZnO and PVDF/TiO2 composite coatings known for their distinctive properties. The coatings, applied through spray coating with PVDF and ZnO or TiO2 nanoparticles on glass, steel, and aluminum substrates, underwent a comprehensive evaluation.
Date: October 4, 2023
Creator: Mohamed, Adel M. A.; Alateyah, Abdulrahman I.; Hasan, Hosam; Matli, Penchal Reddy; El-Sayed Seleman, Mohamed M.; Ahmed, Essam et al.
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Partner: UNT College of Science
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Shared metadata for data-centric materials science

Description: Article describes how the expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. The authors mainly focus on computational materials-science data and propose a constructive approach for the FAIRification of the (meta)data related to ground-state and excited-states calculations, potential-energy sampling, and generalized workflows.
Date: September 14, 2023
Creator: Ghiringhelli, Luca M.; Baldauf, Carsten; Bereau, Tristan; Brockhauser, Sandor; Carbogno, Chistian; Chamanara, Javad et al.
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Partner: UNT College of Science
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Functional Carbon Capsules Supporting Ruthenium Nanoclusters for Efficient Electrocatalytic 99TcO4-/ReO4 Removal from Acidic and Alkaline Nuclear Wastes

Description: Article describes how the selective removal of the β-emitting pertechnetate ion (99TcO4−) from nuclear waste streams is technically challenging. In this article, a practical approach is proposed for the selective removal of 99TcO4− (or its surrogate ReO4−) under extreme conditions of high acidity, alkalinity, ionic strength, and radiation field.
Date: September 10, 2023
Creator: Liu, Xiaolu; Xie, Yinghui; Li, Yang; Hao, Mengjie; Chen, Zhongshan; Yang, Hui et al.
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Partner: UNT College of Science
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First-principles property assessment of hybrid formate perovskites

Description: Article discusses how hybrid organic–inorganic formate perovskites, AB(HCOO)3, are a large family of compounds that exhibit a variety of phase transitions and diverse properties, such as (anti)ferroelectricity, ferroelasticity, (anti)ferromagnetism, and multiferroism. While many properties of these materials have already been characterized, the authors seek to focus on the comprehensive property assessment of a large number of formate perovskites.
Date: August 17, 2023
Creator: Popoola, Abduljelili; Ghosh, P. S.; Kingsland, Maggie; Kashikar, Ravi; DeTellem, D.; Xu, Yixuan et al.
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Partner: UNT College of Science
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Incorporation of Chiral Frustrated Lewis Pair into Metal–Organic Framework with Tailored Microenvironment for Heterogeneous Enantio- and Chemoselective Hydrogenation

Description: Article states that the development of efficient heterogeneous catalysts with multiselectivity (e.g., enantio- and chemoselectivity) has long been sought after but with limited progress being made so far. To achieve enantio- and chemoselectivity in a heterogeneous system, as inspired by enzymes, the authors illustrate herein an approach of creating an enzyme-mimic region (EMR) within the nanospace of a metal–organic framework (MOF) as exemplified in the context of incorporating a chiral frustra… more
Date: July 27, 2023
Creator: Zhang, Yin; Jiang, Yao; Nafady, Ayman; Tang, Zhiyong; Al-Enzini, Abdullah M.; Tan, Kui et al.
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Partner: UNT College of Science
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Large-Scale Synthesis of Covalent Organic Frameworks: Challenges and Opportunities

Description: Article describes how connecting organic building blocks by covalent bonds to design porous crystalline networks has led to covalent organic frameworks (COFs), consequently transferring the flexibility of dynamic linkages from discrete architectures to extended structures. Authors state that this review article highlights the fundamental of COFs, including designing principles, coupling reactions, topologies, structural diversity, synthetic strategies, characterization, growth mechanism, and ac… more
Date: July 27, 2023
Creator: Vardhan, Harsh; Rummer, Grace; Deng, Angela & Ma, Shengqian
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Partner: UNT College of Science
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Bioinspired Synthesis of Silver Nanoparticles for the Remediation of Toxic Pollutants and Enhanced Antibacterial Activity

Description: Article asserts that this research presents a novel and environmentally friendly approach for the synthesis of multifunctional nanobiocomposites for the efficient removal of toxic heavy metal and dye, as well as the disinfection of wastewater microorganisms. The synthesized bioinspired nanocomposite KAC-CS-AgNPs could be an innovative solution for effective and sustainable wastewater treatment and has great potential for commercial applications.
Date: June 29, 2023
Creator: Mandal, Sujata; Hwang, Sangchul; Marpu, Sreekar B.; Omary, Mohammad A.; Prybutok, Victor R. & Shi, Sheldon
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Partner: UNT College of Science
open access

Guanidinium-based covalent organic framework membrane for single-acid recovery

Description: Article discusses how, although acids are extensively used in contemporary industries, time-consuming and environmentally unfriendly processes hinder single-acid recovery from wastes containing various iconic species. The authors rationally designed a membrane with uniform angstrom-sized pore channels and built-in charge-assisted hydrogen bond donors that preferentially conducted HCl while exhibiting negligible conductance for other compounds.
Date: June 21, 2023
Creator: Meng, Qing-Wei; Wu, Shaochun; Liu, Mingjie; Guo, Qing; Xian, Weipeng; Zuo, Xiuhui et al.
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Partner: UNT College of Science
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A Remarkable Difference in Pharmacokinetics of Fluorinated Versus Iodinated Photosensitizers Derived from Chlorophyll-a and a Direct Correlation between the Tumor Uptake and Anti-Cancer Activity

Description: Article says that to investigate and compare the pharmacokinetic profile and anti-cancer activity of fluorinated and iodinated photosensitizers (PSs), the 3-(1′-(o-fluorobenzyloxy)ethyl pyropheophorbide and the corresponding meta-(m-) and para (p-) fluorinated analogs (methyl esters and carboxylic acids) were synthesized. According to the authors, the nature of the delivery vehicle and tumor types showed a significant difference in uptake and long-term cure by photodynamic therapy (PDT), especi… more
Date: April 27, 2023
Creator: Pandurang, Taur Prakash; Cacaccio, Joseph; Durrani, Farukh A.; Dukh, Mykhaylo; Alsaleh, Ajyal Z.; Sajjad, Munawwar et al.
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Partner: UNT College of Science
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Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers

Description: Article describes how acrylic polymers, commonly used in paints, can degrade over time by several different chemical and physical mechanisms, depending on structure and exposure conditions. In this work, the authors studied the effects of different degradation mechanisms and agents on properties of acrylic polymers found in artists’ acrylic paints for the first time using atomistic molecular dynamics simulations.
Date: April 19, 2023
Creator: Iscen, Aysenur; Forero-Martinez, Nancy C.; Valsson, Omar & Kremer, Kurt
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Partner: UNT College of Science
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Assembling Artificial Photosynthetic Models in Water Using β-Cyclodextrin-Conjugated Phthalocyanines as Building Blocks

Description: Article describes how two water-soluble zinc(II) phthalocyanines substituted with two or four permethylated β-cyclodextrin (β-CD) moieties at the α positions have been utilized as building blocks for the construction of artificial photosynthetic models in water. The hydrophilic and bulky β-CD moieties not only can increase the water solubility of the phthalocyanine core and prevent its stacking in water but can also bind with a tetrasulfonated zinc(II) porphyrin (ZnTPPS) and/or sodium 2-anthraq… more
Date: March 29, 2023
Creator: Chen, Xiao-Fei; Gobeze, Habtom B.; D'Souza, Francis & Ng, Dennis K. P.
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Partner: UNT College of Science
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Preferential Solvation Study of Rosuvastatin in the {PEG400 (1) + Water (2)} Cosolvent Mixture and GastroPlus Software-Based In Vivo Predictions

Description: Article claims that rosuvastatin (RST) is a poorly water-soluble drug responsible for limited in vivo dissolution and subsequently low oral systemic absorption (poor bioavailability). The results of inverse Kirkwood–Buff integrals showed the PS of RST by PEG400 as observed in all studied ratios of the binary mixture.
Date: March 28, 2023
Creator: Hussain, Afzal; Afzal, Obaid; Yasmin, Sabina; Haider, Nazima; Alfawaz Altamimi, Abdulmalik Saleh; Martínez, Fleming et al.
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Partner: UNT College of Science
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Tuning excited state electronic structure and charge transport in covalent organic frameworks for enhanced photocatalytic performance

Description: Article describes how covalent organic frameworks (COFs) represent an emerging class of organic photocatalysts. The authors use reticular chemistry to construct a family of isoreticular crystalline hydrazide-based COF photocatalysts, with the optoelectronic properties and local pore characteristics of the COFs modulated using different linkers.
Date: February 27, 2023
Creator: Chen, Zhongshan; Wang, Jingyi; Hao, Mengjie; Xie, Yinghui; Liu, Xiaolu; Waterhouse, Geoffrey I. N. et al.
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Partner: UNT College of Science
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Spatially confined protein assembly in hierarchical mesoporous metal-organic framework

Description: Article discusses how the immobilization of biomolecules into porous materials could lead to significantly enhanced performance in terms of stability towards harsh reaction conditions and easier separation for their reuse. To gain insights into the spatial arrangement of biomolecules within the nanopores, the authors used in situ small-angle neutron scattering (SANS) to probe deuterated green fluorescent protein (d-GFP) entrapped in a mesoporous MOF.
Date: February 21, 2023
Creator: Wang, Xiaoliang; He, Lilin; Sumner, Jacob; Qian, Shuo; Zhang, Qiu; O'Neill, Hugh et al.
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Partner: UNT College of Science
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A theoretical study of M–M′ polar-covalent bonding in heterobimetallic multinuclear organometallic complexes of monovalent group 11 metal centres

Description: Article describes how complexes with closed-shell (d10–d10) interactions have been studied for their interesting luminescence properties in organic light-emitting diode (OLED) devices. The present computational study aims at understanding the chemical bonding/interactions in a series of molecules with unusually short metal–metal bond distances between monovalent coinage-metal (d10–d10) centres.
Date: February 8, 2023
Creator: Rabaâ, Hassan; Sundholm, Dage & Omary, Mohammad A.
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Partner: UNT College of Science
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Post-imprinting modification: electrochemical and scanning electrochemical microscopy studies of a semi-covalently surface imprinted polymer

Description: Authors of the article describe a post-imprinting modification of the imprinted molecular cavities for electrochemical sensing of a target protein. These mesoporous cavities were modified with a ferrocene ‘electrochemical’ tracer for electrochemical transduction of the target protein recognition.
Date: January 25, 2023
Creator: Kalecki, Jakub; Cieplak, Maciej; Iskierko, Z.; Piechowska, Joanna; Nogala, Wojciech; D'Souza, Francis et al.
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Partner: UNT College of Science
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An investigation of steric influence on the reactivity of FeV(O)(OH) tautomers in stereospecific C–H hydroxylation

Description: Article describes how two new tetradentate N4 ligands (LN4), LN4 = Me2,Me2PyzTACN (1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4,7-dimethyl-1,4,7-triazacyclononane) and Me2,MeImTACN (1-((1-methyl-1H-imidazol-1-yl)methyl)-4,7-dimethyl-1,4,7-triazacyclononane) have been synthesized and their corresponding Fe(II) complexes [FeII(Me2,Me2PyzTACN)(CF3SO3)2], 1Pz, and [FeII(Me2,MeImTACN)(CF3SO3)2], 1Im, have been prepared and characterized. Based on these labelling studies, the steric influence exerted … more
Date: January 5, 2023
Creator: Mitra, Mainak; Brinkmeier, Alexander; Li, Yong; Borrell, Margarida; Call, Arnau; Fillol, Julio Lloret et al.
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Partner: UNT College of Science
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Modulating Uranium Extraction Performance of Multivariate Covalent Organic Frameworks through Donor–Acceptor Linkers and Amidoxime Nanotraps

Description: Article presents a COF (covalent organic framework)-based adsorption-photocatalysis strategy for selective removal of uranyl from seawater in the absence of sacrificial reagents. This work shows that multivariate COF adsorption-photocatalysts can be rationally engineered to work efficiently and stably without sacrificial electron donors, thus opening the pathway for the economic and efficient extraction of uranium from the earth’s oceans.
Date: January 4, 2023
Creator: Hao, Mengjie; Xie, Yinghui; Liu, Xiaolu; Chen, Zhongshan; Yang, Hui; Waterhouse, Geoffrey I. N. et al.
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Partner: UNT College of Science
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A Europium-Based Optical Sensor for the Detection of Carbon Dioxide and Its Application for a Fermentation Reaction

Description: Article discusses a new europium-based complex, K[Eu(hfa)4] with hfa = hexafluoroacetylacetonate is synthesized and its structure confirmed via X-ray crystallography. Based on the data collected, a highly stable, brightly red-emissive Eu(III) complex with the ability to differentiate concentrations of CO2 in solution is hereby developed and characterized with benefits for various CO2 sensing applications.
Date: December 21, 2022
Creator: Benton, Erin N.; Rajitha Perera, Nawagamu A. K.; Nesterov, Vladimir N.; Perera, Wijayantha; Omary, Mohammad A. & Marpu, Sreekar
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Partner: UNT College of Science
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Population-based analysis of POT1 variants in a cutaneous melanoma case–control cohort

Description: Article describes how pathogenic germline variants in the protection of telomeres 1 gene (POT1) have been associated with predisposition to a range of tumor types, including melanoma, glioma, leukemia and cardiac angiosarcoma. The authors sequenced all coding exons of the POT1 gene in 2928 European-descent melanoma cases and 3298 controls, identifying 43 protein-changing genetic variants.
Date: December 20, 2022
Creator: Simonin-Wilmer, Irving; Ossio, Raul; Leddin, Emmett M.; Harland, Mark; Pooley, Karen A.; Martil de la Garza, Mauricio Gerardo et al.
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Partner: UNT College of Science
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