Physical Chemistry Commons^™

Intrinsic Gas-Phase Behavior Of Uranium Species: A Comprehensive Reactivity Study Of [O=U≡Ch]+ And [Uh]+, Justin Terhorst

Electronic Theses and Dissertations

The intrinsic chemistry of actinide elements, particularly uranium, remains a key challenge in understanding f-block reactivity due to the complexity introduced by solvent interactions, counter-ions, and complex equilibria in the condensed phase. In this dissertation, a systematic gas-phase study utilizing preparative tandem ion-trap mass spectrometry (PTMSⁿ) is presented, focusing on the reactivity of uranium-centered species, specifically [OUCH]⁺, an oxy uranium methylidyne species, and [UH]⁺ ions. By stripping away solvent effects and isolating the ions, PTMSⁿ provides a powerful platform to probe the fundamental chemical behavior of uranium species in their intrinsic state.

The …

Vibrational And Electronic Spectroscopy Of 2-Cyanoindene Cations, Thomas E. Douglas-Walker, Eleanor K. Ashworth, Mark H. Stockett, Francis C. Daly, Isabelle Chambrier, Vincent J. Esposito, Marius Gerlach, Angel Zheng, Julianna Palotás, Andrew N. Cammidge, Ewen K. Campbell, Sandra BrüNken, James N. Bull

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

2-Cyanoindene is one of the few specific aromatic or polycyclic aromatic hydrocarbon (PAH) molecules positively identified in Taurus molecular cloud-1 (TMC-1), a cold, dense molecular cloud that is considered the nearest star-forming region to Earth. We report cryogenic mid-infrared (550–3200 cm^–1) and visible (16,500–20,000 cm^–1, over the D2 ← D0 electronic transition) spectra of 2-cyanoindene radical cations (2CNI⁺), measured using messenger tagging (He and Ne) photodissociation spectroscopy. The infrared spectra reveal the prominence of anharmonic couplings, particularly over the fingerprint region. There is a strong CN-stretching mode at 2177 ± 1 cm^–1 (4.593 …

Fitting Quality Of Nmr Relaxation Data To Differentiate Asphalt Binders, Rebecca M. Herndon, Kevin Lai, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt binder performance grades (PGs) are important metrics in designing pavements for effective transportation infrastructure. the PG system relies on the binder's stiffness and is determined through energy- and time-intensive physical testing. Physical properties, like stiffness, can also be determined by spin–lattice NMR relaxometry, a non-destructive chemical method. NMR relaxometry can quantify the molecular mobility of materials by determining relaxation times from exponential decays of excited nuclear magnetization. While relaxation times have been used to determine physical properties of materials, a quantitative relation to the PG grades of asphalt binder is yet to be established. in this study, T1 NMR …

Synthesis Of Photocleavable Molecules For Neurological Applications, Nishal Madujith Egodawaththa Arachchilage Don

Theses and Dissertations

In recent biomedical research, the precise control of molecular dynamics through light activation has emerged as a powerful tool, particularly in the field of neurobiology. This approach involves the use of photocleavable cages or photoprotective groups (PPGs) that are chemically tethered to biologically active molecules such as neurotransmitters or calcium chelators. These cages remain inert until exposed to specific wavelengths of light, typically in the visible range, triggering the release of the active compound with high spatiotemporal precision.

For neurotransmitter systems, such as glutamate (Glu), which plays a critical role in synaptic transmission and memory formation, researchers have developed novel …

Author Spotlight, Li-Fang Yang, Joseph W. Sampson, Xiao-Hang Sun, Hai-Qiang Deng, He Zhang, Md Maksudur Rahman, Yang Tao, Hang Ren

Journal of Electrochemistry

No abstract provided.

Single-Entity Collisional Electrochemistry At The Micro- And/Or Nano-Interface Between Two Immiscible Electrolyte Solutions, Li-Fang Yang, Jun-Jie Chen, Ling-Yu Chen, Si-Qi Jin, Tao-Xiong Fang, Si-Jia He, Liang-Jun Shen, Xin-Jian Huang, Xiao-Hang Sun, Hai-Qiang Deng

Journal of Electrochemistry

Single-entity collisional electrochemistry (SECE) is a branch of single-entity electrochemistry. It can directly characterize entities/particles with single particle resolution through random collisions between particles and electrodes in a solution, and obtain rich physicochemical information, thus becoming one of the frontiers of electroanalytical chemistry in the past two decades. Interestingly, the (micro/nanoscale) sensing electrodes have evolved from a polarizable liquid/ liquid (mercury/liquid) interface to a solid/liquid interface and then to a liquid/liquid interface (i.e., an interface between two immiscible electrolyte solutions, ITIES), as if they have completed a cycle (but in fact they have not). ITIES has become the latest sensing …

Precision Delivery Using Nanopipette For Single-Cell Studies, He Zhang, Maksudur Rahman, Yang Tao, Joseph W Sampson, Hang Ren

Journal of Electrochemistry

Nanopipette based scanning probe technique is a versatile tool in non-contact imaging in biology. In addition to the topographic imaging, its capability of localized delivery of bio-active molecules is emerging. In this mini review, we introduce the applications of nanopipette in single-cell researches with a focus on localized delivery. The working principles of three delivery modes including resistive pulse, pressure-driven flow, and electroosmotic flow-driven delivery are summarized and compared. Their applications in single-cell researches are reviewed. The current technical challenges in scanning ion conductance microscopy-based delivery, and their growing influence in medicine and pharmacologic researches are also discussed.

Aqueous Supercapacitors With Wide Operative Voltage Window And Long Cycling Life Enabled By Electrolyte Hybridization Effect, Shi-Hua Ma, Qi Yin, Jin-Ping Zhao

Journal of Electrochemistry

Developing supercapacitors (SCs) with long cycling life and wide operative voltage window is a significant topic in the field of aqueous electrolytes. Although the design of water in salt (WIS) electrolytes has pushed the development of aqueous electrolytes to a new height, the WIS electrolytes with an operative voltage window of up to 2.5 V is still very scarce. Herein, in order to enrich the type of aqueous electrolyte with high operative voltage, tetramethylammonium trifluoromethanesulfonate (TMAOTf) based WIS electrolyte was used as a model to construct WIS based hybrid electrolyte with acetonitrile (ACN) co-solvent and LiTFSI co-solute. In view of …

Preface To Special Issue On Single-Entity Electroanalysis, Fei Li, Yi-Lun Ying, Yi-Ge Zhou

Journal of Electrochemistry

No abstract provided.

Journal Of Electrochemistry, The Flagship Journal Of Chinese Chemical Society Electrochemical Committee, Made A Public Appearance At The 22nd National Electrochemical Congress, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The Award Ceremony Of The 2nd Xiamen University Short Video Abstract Contest For Science And Technology Journal Papers Came To A Successful Conclusion, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The 9th National Conference Of Solid State Battery Successfully Held In Xiamen, Fujian, Zheng-Liang Gong

Journal of Electrochemistry

No abstract provided.

Multiphase Electrochemical Li-Ion Intercalation In Iron Selenite: Evidence Of Fe³⁺/⁴⁺ Redox And Single-Crystal-To-Single-Crystal Topochemical Transformation During Chemical Lithiation, Sutapa Bhattacharya, Aleksandr V. Chernatynskiy, Amitava Choudhury

Physics Faculty Research & Creative Works

An iron selenite-based cathode compound, LiFe(SeO₃)₂, is synthesized via a simple hydrothermal route. The bulk purity of the compound is confirmed by powder X-ray diffraction (PXRD), Mössbauer spectroscopy, and Fourier transform infrared spectroscopy (FTIR). The crystal structure determined from the single-crystal X-ray diffraction and Rietveld refinement of synchrotron PXRD data perfectly matches the previously reported structure in the I4̅2d space group. The crystal structure is built up of edge-sharing of FeO₆ octahedra and LiO₄ tetrahedra interconnected by SeO₃ trigonal pyramidal units, forming a three-dimensional open framework network with channels through all three axes. …

Chemical And Structural Design Of Single Molecule Switches, Elaina Grogg

Longwood Senior Thesis Proposal

No abstract provided.

Battle Of The Ch Motions: Aliphatic Vs Aromatic Contributions To Astronomical Pah Emission And Exploration Of The Aliphatic, Aromatic, And Ethynyl Ch Stretches, Vincent J. Esposito, Salma Bejaoui, Brant E. Billinghurst, Christiaan Boersma, Ryan C. Fortenberry, Farid Salama

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Strong anharmonic coupling between vibrational states in polycyclic aromatic hydrocarbons (PAH) produces highly mixed vibrational transitions that challenge the current understanding of the nature of the astronomical mid-infrared PAH emission bands. Traditionally, PAH emission bands have been characterized as either aromatic or aliphatic, and this assignment is used to determine the fraction of aliphatic carbon in astronomical sources. In reality, each of the transitions previously utilized for such an attribution is highly mixed with contributions from both aliphatic and aromatic CH motions as well as non-CH motions such as CC stretches. High-resolution gas-phase IR absorption measurements of the spectra of …

Molecular Dynamics Investigation Of The Influenza Hemagglutinin Conformational Changes In Acidic Ph, Shadi A. Badiee, Vivek Govind Kumar, Mahmoud Moradi

Chemistry & Biochemistry Faculty Publications and Presentations

The surface protein hemagglutinin (HA) of the influenza virus plays a pivotal role in facilitating viral infection by binding to sialic acid receptors on host cells. Its conformational state is pH-sensitive, impacting its receptor-binding ability and evasion of the host immune response. In this study, we conducted extensive equilibrium microsecond-level all-atom molecular dynamics (MD) simulations of the HA protein to explore the influence of low pH on its conformational dynamics. Specifically, we investigated the impact of protonation on conserved histidine residues (H106₂) located in the hinge region of HA2. Our analysis encompassed comparisons between nonprotonated (NP), partially protonated …

Platinum Nanoparticle-Based Collision Electrochemistry For Rapid Detection Of Breast Cancer Mcf-7 Cells, Fu-Xing Qin, Ming-Ke Li, Hui-Long Zhou, Wei Wen, Xiu-Hua Zhang, Sheng-Fu Wang, Zhen Wu

Journal of Electrochemistry

Cancer metastasis is the leading cause of death in cancer patients worldwide and one of the major challenges in treating cancer. Circulating tumor cells (CTCs) play a pivotal role in cancer metastasis. However, the content of CTCs in peripheral blood is minimal, so the detection of CTCs in real samples is extremely challenging. Therefore, efficient enrichment and early detection of CTCs are essential to achieve timely diagnosis of diseases. In this work, we constructed an innovative and sensitive single-nanoparticle collision electrochemistry (SNCE) biosensor for the detection of MCF-7 cells (human breast cancer cells) by immunomagnetic separation technique and liposome signal …

Journal Of Electrochemistry Is Selected To Entering Ici Journals Master List, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

Author Spotlight, Fei Li, Yi-Ge Zhou, Yi-Lun Ying, Yong-Xin Li, Yu Huang, Zhen Wu

Journal of Electrochemistry

No abstract provided.

Single Nanobubble Formation On Au Nanoelectrodes And Au@Ws2 Nanoelectrodes: Voltammetric Analysis And Electrocatalysis, Xian-Zhun Luo, Xiao-Hu Chen, Yong-Xin Li

Journal of Electrochemistry

Taking advantage of the extremely small size of the gold nanodisk electrode, the single hydrogen nanobubble generated on the surface of the nanoelectrode was studied to evaluate its hydrogen evolution performance. It was found that compared with the bare gold nanodisk electrode, the bubble formation potential of the gold nanodisk electrode modified with tungsten disulfide quantum dots (WS₂ QDs) on the surface was more positive, indicating that its hydrogen evolution activity was higher. Microdynamic model analysis shows that the average standard rate constant of the rate-determining step of the hydrogen evolution reaction of gold nanoelectrodes modified with WS_{2 …}