A5043758488- Molecular Junctions and Nanostructures
- Advanced Chemical Physics Studies
- Mass Spectrometry Techniques and Applications
- Spectroscopy and Laser Applications
- Spectroscopy and Quantum Chemical Studies
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Cold Atom Physics and Bose-Einstein Condensates
- Atomic and Molecular Physics
- Quantum and electron transport phenomena
- Analytical Chemistry and Sensors
- Semiconductor materials and devices
- Force Microscopy Techniques and Applications
- Electrochemical Analysis and Applications
- Graphene research and applications
- Atmospheric Ozone and Climate
- Photochemistry and Electron Transfer Studies
- Conducting polymers and applications
- Organic Electronics and Photovoltaics
- Advanced biosensing and bioanalysis techniques
- Molecular Sensors and Ion Detection
- Atmospheric chemistry and aerosols
- Fluorine in Organic Chemistry
- Innovative Teaching and Learning Methods
- Inorganic and Organometallic Chemistry
University of California, Riverside
2019-2025
University of California, Berkeley
2013-2022
Robert Bosch (Germany)
2022
Riverside
2021
Materials Science & Engineering
2021
Columbia University
2013-2019
University of Massachusetts Dartmouth
1991-2002
Southeastern University
1978-1991
Hanscom Air Force Base
1990
University of California, Santa Barbara
1973-1981
A recently reported calculation by chesnavich, Su and Bowers on classical trajectory study of thermal energy ion-polar molecule capture collisions is further extended. (AIP)
A classical theory for the ion-permanent dipole interaction is developed that takes into consideration thermal rotational energy of polar molecule. The formulated in terms an r-dependent average orientation angle θ̄ (r) between and line centers collision. technique allows quantitative determination capture cross section as a function ion-polar molecule relative velocity. In addition, limit rate constants are readily calculated both at energies energy. Charge transfer from various rare gas...
High affinity copper binding to mitogen-activated protein kinase 1 (MAP2K1, also known as MEK1) allosterically promotes the activity of MEK1/2 on extracellular signal regulated kinases and 2 (ERK1/2). Consequently, copper-dependent activation (MAP) pathway has a role in promoting tumor growth. Conversely, chelation may represent possible therapeutic approach for specific subset tumors characterized by activating mutations serine/threonine V-Raf Murine Sarcoma Viral Oncogene Homolog B1...
Formaldehyde (FA) is a common environmental toxin that also produced naturally in the body through wide range of metabolic and epigenetic processes, motivating development new technologies to monitor this reactive carbonyl species (RCS) living systems. Herein, we report pair first-generation chemiluminescent probes for selective formaldehyde detection. Caging phenoxy-dioxetane scaffolds bearing different electron-withdrawing groups with general 2-aza-Cope trigger provides 540 700 (CFAP540...
Variational rate theory and trajectory methods are used to investigate the classical dynamics of capture on a noncentral long range potential. The ion–dipole surface is investigated in detail. An upper bound true thermal constant derived using variational approach. independent moment inertia rotor has only multiplicative inverse square root dependence system reduced mass. For excellent agreement with calculations experimental data heavy particle transfer constants between ions polar...
A transition state switching model is developed for use in systems where more than one occurs along the reaction coordinate. The cast perspective of both unified statistical theory (UST) Miller and variational theory. basic assumptions are those common to RRKM–QET. branching analysis leads probabilities a number potential surfaces appropriate expressions delineated unimolecular bimolecular reactions. from microcanonical viewpoint rigorously conserves energy E angular momentum J. Comparison...
Rate constants for the reactions of Kr+(2P3/2) with HCl and DCl Ar+ have been measured as a function reactant ion/reactant neutral average center-of-mass kinetic energy (〈KEc.m.〉 ) at several temperatures. The measurements were made using helium carrier gas. From these data we derived dependences rate on rotational temperature H(D)Cl. reaction Kr+(2P1/2) also temperature. all found to decrease increasing 〈KEc.m.〉 low but then increase higher . A significant dependence constant was analogous...
This Account provides an overview of our recent efforts to uncover the fundamental charge transport properties Si-Si and Ge-Ge single bonds introduce useful functions into group 14 molecular wires. We utilize tools chemical synthesis a scanning tunneling microscopy-based break-junction technique study mechanism in these systems. evaluated ability silicon, germanium, carbon wires by comparing conductances within families well-defined structures, members which differ only number Si (or Ge or...
Cancer patients have a higher risk of cardiovascular disease (CVD) mortality than the general population. Low dose computed tomography (LDCT) for lung cancer screening offers an opportunity simultaneous CVD estimation in at-risk patients. Our deep learning prediction model, trained with 30,286 LDCTs from National Lung Screening Trial, achieved area under curve (AUC) 0.871 on separate test set 2,085 subjects and identified high risks (AUC 0.768). We validated our model against ECG-gated...
Copper is an essential metal nutrient for life that often relies on redox cycling between Cu(I) and Cu(II) oxidation states to fulfill its physiological roles, but alterations in cellular status can lead imbalances copper homeostasis contribute cancer other metalloplasias with metal-dependent disease vulnerabilities. Copper-responsive fluorescent probes offer powerful tools study labile pools, most of these reagents target Cu(I), limited methods monitoring owing potent fluorescence quenching...
The average dipole orientation (ADO) theory for capture collisions between ions and dipolar molecules is modified to include conservation of angular momentum approximately; termed AADO theory. compared experiment proton transfer reactions from various positive NH3, HCN, CH3CN substrates several negative HCN. agreement quite good in all cases. rate constants are larger than the ADO For systems studied increases over values were 12% (NH3), 20% (HCN), 31% (CH3CN). most polar molecules,...
Here we study the stability and rupture of molecular junctions under high voltage bias at single molecule/single bond level using scanning tunneling microscope-based break-junction technique. We synthesize carbon-, silicon-, germanium-based wires terminated by aurophilic linker groups how backbone group affect probability voltage-induced junction rupture. First, find that formed with covalent S-Au bonds are robust their does not demonstrate dependence within our range. In contrast, through...
Abstract Formaldehyde (FA) is a common environmental toxin that also produced naturally in the body through wide range of metabolic and epigenetic processes, motivating development new technologies to monitor this reactive carbonyl species (RCS) living systems. Herein, we report pair first‐generation chemiluminescent probes for selective formaldehyde detection. Caging phenoxy‐dioxetane scaffolds bearing different electron‐withdrawing groups with general 2‐aza‐Cope trigger provides 540 700 (...
Kinetic energy dependences of ion–polar molecule capture rate constants have been calculated using the trajectory method at varies temperatures. An empirical equation was formulated to fit data. The parametrized gives within 5% error for re- lative kinetic energies ranging from thermal several eV and temperatures 50 K 1000 K.
Views Icon Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Twitter Facebook Reddit LinkedIn Tools Reprints and Permissions Cite Search Site Citation Timothy Su; Trajectory calculations of ion–polar molecule capture rate constants at low temperatures. J. Chem. Phys. 15 March 1988; 88 (6): 4102–4103. https://doi.org/10.1063/1.453817 Download citation file: Ris (Zotero) Reference Manager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search...