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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 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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The chemical coupling between moist CO oxidation and gas-phase potassium sulfation

Description: Article discusses how the chemical coupling between moist CO oxidation and transformation of gaseous potassium salts (KCl or KOH) in the presence and absence of SO2 was investigated experimentally and through chemical kinetic modeling. Analysis of the calculations indicates that sulfation pathways in the model involving KOSO3 contribute to the overprediction, but both the thermodynamic properties and rate constants in the model involve significant uncertainties and more work is required to reso… more
Date: December 15, 2022
Creator: Chanpirak, Arphaphon; Hashemi, Hamid; Frandsen, Flemming; Wu, Hao; Glarborg, Peter & Marshall, Paul
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Partner: UNT College of Science
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Lignocellulosic-Based Activated Carbon-Loaded Silver Nanoparticles and Chitosan for Efficient Removal of Cadmium and Optimization Using Response Surface Methodology

Description: Article expresses how the cadmium-contaminated water body is a worldwide concern for the environment and toxic to human beings and the removal of cadmium ions from drinking and groundwater sustainably and cost-effectively is important. The results showed that synthesized CS-KAC-Ag was a biocompatible and versatile porous filtering material for the decontamination of different toxic metal ions.
Date: December 13, 2022
Creator: Mandal, Sujata; Marpu, Sreekar; Omary, Mohammad A.; Dinulescu, Catalin C.; Prybutok, Victor R. & Shi, Sheldon
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Partner: UNT College of Science
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The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets

Description: Article says that the steric stability of inorganic colloidal particles in an apolar solvent is usually described in terms of the balance between three contributions: the van der Waals attraction, the free energy of mixing, and the ligand compression. The authors demonstrate that for sufficiently large nanoplatelets, solvation forces are proportional to the interacting facet area, and their strength is intrinsically tied to the softness of the ligand shell.
Date: December 9, 2022
Creator: Petersen, Nanning; Girard, Martin; Riedinger, Andreas & Valsson, Omar
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Partner: UNT College of Science
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An experimental and chemical kinetic modeling study of the role of potassium in the moist oxidation of CO

Description: Article investigates the effect of KCl on moist CO oxidation in a laminar flow quartz reactor. Experiments were conducted in the absence of O2 (gasification), as well as under reducing and fuel-lean conditions, in the temperature range 873–1573 K, and the results were interpreted in terms of a chemical kinetic model.
Date: December 9, 2022
Creator: Chanpirak, Arphaphon; Wu, Hao; Glarborg, Peter & Marshall, Paul
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Partner: UNT College of Science
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A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]

Description: Article describes a convenient synthetic method for the preparation of the hydroxy-bridged triosmium cluster [Os₃(CO)₁₀(μ-OH)(μ-H)] along with the re-evaluation of the reaction of this cluster with dppm that has led to the isolation of a new isomer for [Os₃(CO)₈(μ-OH)(μ-H)(μ-dppm)].
Date: December 17, 2020
Creator: Richmond, Michael G.; Joy, Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir & Kabir, Shariff E.
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Partner: UNT College of Science
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Spatial Engineering Direct Cooperativity between Binding Sites for Uranium Sequestration

Description: This article gives a full account of the conceptual and experimental development from randomly distributed functionalities to a convergent arrangement that facilitates cooperative binding is given, thus conferring exceptional affinity toward the analyte of interest. The concept presented here uncovers a new paradigm in the design of efficient sorbent materials by manipulating the spatial distribution to amplify the cooperation of functions.
Date: December 4, 2020
Creator: Sun, Qi; Song, Yanpei; Aguila, Briana; Ivanov, Aleksandr S.; Bryantsev, Vyacheslav S. & Ma, Shengqian
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Partner: UNT College of Science
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Investigation of the mechanical properties of Ni-B/hBN composite coatings electrodeposited in presence of CTAB as the surfactant

Description: Article investigating the effect of hexadecyltrimethylammonium bromide (CTAB) concentration on the galvanostatic electrodeposition of Ni-B matrix nano hexagonal boron nitride (hBN) reinforced composite coatings.
Date: December 6, 2019
Creator: Karahan, İsmail H. & Tozar, Ali
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Partner: UNT College of Science
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Absorption and emission modulation in a MoS2–GaN (0001) heterostructure by interface phonon–exciton coupling

Description: Article reporting the change in the transient absorption characteristics of monolayer MoS2 and the modified PL emission characteristics in a monolayer MoS2–GaN (0001) heterostructure due to the coupling of carriers with the phonon modes and the energy exchange at the interface. The results demonstrate the relevance of interface coupling between the semiconductors for the development of optical and electronic applications.
Date: December 1, 2019
Creator: Poudel, Yuba; Sławińska, Jagoda; Gopal, Priya; Seetharaman, Sairaman; Hennighausen, Zachariah; Kar, Swastik et al.
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Partner: UNT College of Science
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Comments on “What if Cocrystallization Fails for Neutral Molecules? Screening Offered Eutectics as Alternate Pharmaceutical Materials: Leflunomide-A Case Study”

Description: Features commentary on the previously published article "What if Cocrystallization Fails for Neutral Molecules? Screening Offered Eutectics as Alternate Pharmaceutical Materials: Leflunomide-A Case Study”
Date: December 2019
Creator: Acree, William E. (William Eugene) & Jouyban, Abolghasem
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Apparent Specific Volumes of Sucrose in Different Aqueous Cosolvent Mixtures at 298.2 K

Description: This article explores research to determine the apparent specific volume of sucrose by measuring the density of sucrose in {cosolvent + water} mixtures at 298.2 K. The study finds that a mean apparent specific volume value of 0.632 cm³.g⁻¹ for sucrose in different aqueous-cosolvent mixtures could be adequate for practical purposes in pharmaceutical industries.
Date: December 30, 2018
Creator: Tinjacá, Darío; Muñoz, María M.; Martínez, Fleming; Jouyban, Abolghasem & Acree, William E. (William Eugene)
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Partner: UNT College of Science
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Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme

Description: Article presenting a systematic parametrization protocol for the Self-Consistent Continuum Solvation (SCCS) model resulting in optimized parameters for 67 non-aqueous solvents. The parametrization is based on a collection of ≈6000 experimentally measured partition coefficients, which were collected in the Solv@TUM database presented here. The accuracy of the optimized SCCS model is comparable to the well-known universal continuum solvation model (SMx) family of methods, while relying on only a … more
Date: December 5, 2018
Creator: Acree, William E. (William Eugene); Hille, Christoph; Ringe, Stefan; Deimel, Martin; Kunkel, Christian; Reuter, Karsten et al.
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Partner: UNT College of Science
open access

Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution

Description: This paper presents the application of a commonly used computer algorithm based on the group-additivity method for the calculation of the liquid viscosity coefficient at 293.15 K and the activity coefficient at infinite dilution in water at 298.15 K or organic molecules.
Date: December 21, 2017
Creator: Naef, Rudolf & Acree, William E. (William Eugene)
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Partner: UNT College of Arts and Sciences
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Bulky Lesion Bypass Requires Dpo4 Binding in Distinct Conformations

Description: Article describes study where researchers used single-molecule florescence resonance energy transfer (smFRET) experiments, classical molecular dynamics simulations, and nucleotide incorporation assays to investigate the mechanism by which the model Y-family polymerase, Dpo4, bypasses a (+)-cis-Benzo[a]pyrene (B[a]P)-N 2-dG adduct in DNA.
Date: December 12, 2017
Creator: Liyanage, Pramodha S.; Walker, Alice R.; Brenlla, Alfonso; Cisneros, Gerardo Andrés; Romano, Louis J. & Rueda, David S.
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Partner: UNT College of Science
open access

Self-Reporting Molecularly Imprinted Polymer for Label-Free Selective Electrochemical Sensing of p-synephrine†

Description: This article is taken from the Proceedings of the 5th International Symposium on Sensor Science (I3S 2017). Molecularly imprinted polymers (MIPs) can be used in applications in selective chemosensing.
Date: December 4, 2017
Creator: Lach, Patrycja; Cieplak, Maciej; Sharma, Piyush S.; Sosnowska, Marta; D'Souza, Francis & Kutner, Wlodzimierz
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Partner: UNT College of Science

Enthalpies of solution and enthalpies of solvation of organic solutes in ethylene glycol at 298.15 K: prediction and analysis of intermolecular interaction contributions

Description: This article studies thermochemistry of solvation of inert gases and organic solutes in ethylene glycol was thoroughly studied using solution calorimetry technique.
Date: December 24, 2016
Creator: Stolov, Mikhail; Zaitseva, Ksenia V.; Varfolomeev, Mikhail A. & Acree, William E. (William Eugene)
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Partner: UNT College of Arts and Sciences
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Excited State Charge Separation in Solution and in Electropolymerized Films of Terthiophene-Fullerene Dyad and Phenothiazine-Terthiophene-Fullerene Triad

Description: This article reports synthesis, X-ray structure and excited state events occurring in a terthiophene-C₆₀ dyad (TT-C₆₀), and a phenothiazine-terthiophene-C₆₀ triad (PTZ-TT-C₆₀).
Date: December 23, 2016
Creator: Bodenstedt, Kurt; Lim, G. N.; Vdouychenko, Mark; Estrada, Tania; Subbaiyan, Navaneetha K.; Nesterov, Vladimir N. et al.
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Partner: UNT College of Arts and Sciences
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Comment on "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K"

Description: This article provides comments on the article "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K" published in the Journal of Chemical and Engineering Data in 2016.
Date: December 7, 2016
Creator: Acree, William E. (William Eugene); Barrera, Maribel & Abraham, M. H. (Michael H.)
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Partner: UNT College of Arts and Sciences
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Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand

Description: In this study, we describe reaction chemistry of the first nickel(II) complexes having a terminally bound imido ligand, (dtbpe)Ni=NR (R = 2,6-ⁱPr₂C₆H₃, 2,3,6-Me₃C₆H₂ (Mes), and Ad) with various small unsaturated molecules.
Date: December 1, 2014
Creator: Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R., 1964- & Hillhouse, Gregory L.
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Partner: UNT College of Arts and Sciences
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