A5072485296- Boron Compounds in Chemistry
- Analytical Chemistry and Chromatography
- Radioactive element chemistry and processing
- Mass Spectrometry Techniques and Applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Radiopharmaceutical Chemistry and Applications
- Magnetic and transport properties of perovskites and related materials
- Thermal properties of materials
- Electrocatalysts for Energy Conversion
- Electrochemical Analysis and Applications
- Chemical Synthesis and Characterization
- Hepatitis C virus research
- Metabolomics and Mass Spectrometry Studies
- Thermal Expansion and Ionic Conductivity
- Chromatography in Natural Products
- Advanced Thermoelectric Materials and Devices
- PI3K/AKT/mTOR signaling in cancer
- Protein purification and stability
- HIV/AIDS drug development and treatment
- Spectroscopy and Quantum Chemical Studies
- Phase Change Materials Research
- Fuel Cells and Related Materials
- Pharmacological Effects and Toxicity Studies
Central South University
2022-2025
State Key Laboratory of Powder Metallurgy
2022-2025
United States Military Academy
2024
Merck & Co., Inc., Rahway, NJ, USA (United States)
2010-2022
Xiamen University
2019
Scripps Research Institute
2013
Pearl River Community College
2006
Ziopharm Oncology (United States)
2005
University of California, Los Angeles
1996-2002
Princeton University
2002
The slow water dissociation process in alkaline electrolyte severely limits the kinetics of HER. orientation H2 O is well known to affect process, but hard control because its random distribution. Herein, an atomically asymmetric local electric field was designed by IrRu dizygotic single-atom sites (IrRu DSACs) tune adsorption configuration and orientation, thus optimizing process. intensity DSACs over 4.00×1010 N/C. ab initio molecular dynamics simulations combined with situ Raman...
Src up-regulation is a common event in human cancers. In colorectal cancer, increased levels are an indicator of poor prognosis, and progression to metastatic disease associated with substantial increases activity. Therefore, we examined the activity SKI-606, potent inhibitor Abl kinases, against colon tumor lines vitro s.c. xenograft models. SKI-606 inhibited autophosphorylation IC(50) approximately 0.25 micromol/L HT29 cells. Phosphorylation Tyr(925) focal adhesion kinase, substrate, was...
Abstract The slow water dissociation process in alkaline electrolyte severely limits the kinetics of HER. orientation H 2 O is well known to affect process, but hard control because its random distribution. Herein, an atomically asymmetric local electric field was designed by IrRu dizygotic single‐atom sites (IrRu DSACs) tune adsorption configuration and orientation, thus optimizing process. intensity DSACs over 4.00×10 10 N/C. ab initio molecular dynamics simulations combined with situ...
Using the ab initio-based training database, we trained potential function for ammonium iodide (NH4I) based on a deep neural network-based model. On basis of this function, simulated temperature-driven β ⇒ α-phase transition NH4I with isobaric isothermal ensemble via molecular dynamics simulations, results which are in good agreement recent experimental results. As it increases near phase temperature, quarter ionic bonds NH4+-I− break so that NH4+ starts to rotate randomly disorderly manner,...
Magnetocaloric effect (MCE) exhibits highly efficient and ecological cooling abilities for solid-state refrigeration in contrast to traditional vapor-compression refrigeration. Successive emerging two-dimensional (2D) magnetic materials provide a fertile platform exploring low-dimensional MCE systems. Here, we focus on series of 2D transition metal dihalides MX2 (M = Fe, Ru, Os; X Cl, Br) explore the maximum isothermal entropy change (−ΔSmagmax) adiabatic temperature (ΔTadmax) under external...
Neopentyl glycol has become an important candidate material for solid-state refrigeration in the future because of its environmental protection, high energy efficiency, stability, and economy. However, complete micro-dynamic mechanism remains to be established, which restricts further applications. In this work, we investigate one representative material-plastic crystal neopentyl (NPG) by means large-scale molecular dynamics simulation. It is found that NPG exhibits colossal barocaloric...
Solid-state refrigeration technology has been attracting tremendous attention in recent decades. Plastic crystal pentaerythritol (PE) is a crucial barocaloric material the solid-state field due to its high entropy. However, temperature range and extremely low thermal conductivity are far from meeting requirements of practical application. Here, we systematically investigate effect (BCE) composite PE silicon frame [consisting nanotube silicene architectures (SNT-Sil)] analyze effects...
Solid-state refrigeration holds promise for environmentally friendly cooling with high energy efficiency and downsize scalability. However, its performance is notably inferior in comparison commercial refrigerants due to the lack of scientific guidance material discovery improvement. Here, we provide an efficient approach investigate caloric effect under external factors (i.e., electric fields, magnetic mechanical fields). Using electrocaloric ${\mathrm{Pb}\mathrm{Ti}\mathrm{O}}_{3}$ (PTO)...
Plastic crystal neopentylglycol (NPG, C5H12O2) has become an important candidate material in the future solid-state refrigeration field due to its huge colossal barocaloric effects near room temperature. However, NPG encounters significant shortcomings practical cooling process that hinders further application. Here, we systematically investigate effect of defects and substituting a small amount additional alien molecules on performance plastic crystals. It is found low concentration...
Solid-state refrigeration technology, which utilizes phase transition materials responsive to an external field through heat is exchanged with the environment, serves as a promising alternative traditional vapor-compression technologies. However, many existing solid-state are limited by low latent heat, large driving forces, high thermal hysteresis, or conductivity, limiting practical applications. In this work, molecular dynamics simulations and thermodynamic analysis, we predict giant...
A novel technique to study the reactivity of acyl glucuronide metabolites protein has been developed and is described herein. Considered here are metabolites, which have undergone rearrangement glucuronic acid moiety at physiological temperature pH. The investigation these electrophilic was carried out by measuring rate reaction rearranged AG in forming corresponding glucuronide-peptide adduct presence Lys-Phe. This differs from parallel used adducts proteins that previously reported. In...
Deregulated phosphatidylinositol 3-kinase (PI3K) signaling pathway is widely implicated in tumor growth and resistance to chemotherapy. While a strong rationale exists for pharmacological targeting of PI3K, only few proof-of-principle in-vivo efficacy studies are currently available. PWT-458, pegylated-17-hydroxywortmannin, novel highly potent inhibitor PI3K animal models. Upon vivo cleavage its poly(ethyleneglycol) (PEG), PWT-458 releases active moiety 17-hydroxywortmannin (17-HWT), the...
The separation of cytarabine (ara-C) from the endogenous compounds in mouse plasma by packed-column supercritical fluid chromatography (pSFC) was achieved on bare silica stationary phase with an isocratic mobile composed CO2/methanol solvent addition ammonium acetate. SFC is commonly assumed to be only applicable nonpolar and relatively low-polarity compounds. In this work, a broader range compound polarities amenable pSFC appropriate mobile-phase modifiers additives under normal-phase...
Plastic crystals PE (pentaerythritol) possess colossal barocaloric effect (BCE) that is promising for solid-state refrigeration; however, the high phase transition temperature (> 400 K) and low thermal conductivity (<0.5 W·m−1·K−1) greatly hinder its practical application at room temperature. Here, we propose to complex plastic crystal (PC) with carbon nanotube/graphene architectures (CNT-Gra) form [PC/CNT-Gra] composites investigate BCE based on molecular dynamics simulations....
Phosphoinositide 3-kinase (PI3K) is an important target for cancer chemotherapy due to the deregulation of its signaling pathway in a wide spectrum human tumors. Wortmannin and analogues are potent PI3K inhibitors whose therapeutic use has been impeded by inherent defects such as instability toxicity. Pegylation wortmannin 17-hydroxywortmannin gives rise conjugates with improved properties, including higher index. Pegylated (8, PWT-458) selected further development.
Clostridium difficile is the causative agent of C. difficile-associated diarrhea (CDAD), with increased risk in elderly populations. Kibdelomycin, a novel natural-product inhibitor type II topoisomerase enzymes, was evaluated for activity against and gastrointestinal anaerobic organisms. Toxigenic isolates (n=168) from U.S. hospitals Gram-positive Gram-negative organisms (n=598) Chicago-area were tested. Kibdelomycin showed potent toxigenic (MIC90=0.25 μg/ml) most aerobic but had little...
Structure-guided optimization of a series C-5 alkyl substituents led to the discovery potent nicotinic acid receptor agonist SCH 900271 (33) with an EC50 2 nM in hu-GPR109a assay. Compound 33 demonstrated good oral bioavailability all species. exhibited dose-dependent inhibition plasma free fatty (FFA) 50% FFA reduction at 1.0 mg/kg fasted male beagle dogs. had no overt signs flushing doses up 10 improved therapeutic window as compared acid. was evaluated human clinical trials.
Nicotinic acid has been used clinically for decades to control serum lipoproteins. lowers very low-density lipoprotein (VLDL)-cholesterol, (LDL)-cholesterol, and lipoprotein-a (LPa), it is also effective in raising high-density (HDL)-cholesterol. However, nicotinic several side effects clinical use. The most notable intense cutaneous vasodilation "flushing" on the upper body face. We discovered a pyranopyrimidinedione series be receptor agonists. A potent agonist from this...
Background: Matrix-assisted laser desorption/ionization (MALDI)–tandem mass spectrometry (MS)/MS is a proven reliable tool for visualizing the spatial distribution of dosed drugs and their primary metabolites in animal tissue sections. Materials & methods: The rat brain sections coated with dihydroxybenzoic acid as matrix, were analyzed by MALDI–MS/MS imaging experiments. potential astemizole homogenate selected experiments first identified high-performance liquid chromatography coupled to...
Acetonitrile acts as more than a solvent in the oxidation of ammonioborate [B20H17NH3]3− with benzoquinone. The unusual product 1 contains an amidinium group that bridges both decaborate cages. Further yields 2, which unusually short C−N bond lengths indicate considerable double-bond character. •=B, ○=BH.