A5087731954- Epigenetics and DNA Methylation
- Cancer-related gene regulation
- Protein Structure and Dynamics
- Enzyme Structure and Function
- Plant biochemistry and biosynthesis
- Peptidase Inhibition and Analysis
- Advanced Chemical Physics Studies
- RNA modifications and cancer
- Molecular Junctions and Nanostructures
- Chemical Synthesis and Analysis
- Biofuel production and bioconversion
- Signaling Pathways in Disease
- Surface and Thin Film Phenomena
- Adsorption and biosorption for pollutant removal
- Fermentation and Sensory Analysis
- Quantum and electron transport phenomena
- Botanical Research and Applications
- Spectroscopy and Quantum Chemical Studies
- Graphene research and applications
- Biochemical and Molecular Research
- Photosynthetic Processes and Mechanisms
- Microbial Natural Products and Biosynthesis
- Luminescence Properties of Advanced Materials
- Genomics and Phylogenetic Studies
- Fungal and yeast genetics research
Northwest University
2019-2025
University of Tennessee at Knoxville
2014-2023
Oak Ridge National Laboratory
2013-2022
St. Jude Children's Research Hospital
2012-2022
Shandong Agricultural University
2022
McGill University
2006-2020
Knoxville College
2019
Northwest A&F University
2016-2018
Yangzhou Vocational University
2018
Central South University
2016
New protein parameters are reported for the all-atom empirical energy function in CHARMM program. The parameter evaluation was based on a self-consistent approach designed to achieve balance between internal (bonding) and interaction (nonbonding) terms of force field among solvent-solvent, solvent-solute, solute-solute interactions. Optimization used experimental gas-phase geometries, vibrational spectra, torsional surfaces supplemented with ab initio results. peptide backbone bonding were...
Ray Ming, Robert Paull, Qingyi Yu and colleagues report the genome sequences of two cultivated pineapple varieties one wild relative. Their analysis supports use as a reference for monocot comparative genomics provides insight into evolution crassulacean acid metabolism photosynthesis. Pineapple (Ananas comosus (L.) Merr.) is most economically valuable crop possessing (CAM), photosynthetic carbon assimilation pathway with high water-use efficiency, second important tropical fruit. We...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAb initio studies of hydrogen bonding N-methylacetamide: structure, cooperativity, and internal rotational barriersHong Guo Martin KarplusCite this: J. Phys. Chem. 1992, 96, 18, 7273–7287Publication Date (Print):September 1, 1992Publication History Published online1 May 2002Published inissue 1 September 1992https://pubs.acs.org/doi/10.1021/j100197a027https://doi.org/10.1021/j100197a027research-articleACS PublicationsRequest reuse permissionsArticle...
Abstract Crassulacean acid metabolism (CAM) is a water-use efficient adaptation of photosynthesis that has evolved independently many times in diverse lineages flowering plants. We hypothesize convergent evolution protein sequence and temporal gene expression underpins the independent emergences CAM from C 3 photosynthesis. To test this hypothesis, we generate de novo genome assembly genome-wide transcript data for Kalanchoë fedtschenkoi , an obligate species within core eudicots with...
In this study, we prepare a polyethyleneimine (PEI) and graphene oxide (GO) composite adsorbent through an amidation reaction between the amine groups of PEI carboxyl GO.
Long-lived perennial plants, with distinctive habits of inter-annual growth, defense, and physiology, are great economic ecological importance. However, some biological mechanisms resulting from genome duplication functional divergence genes in these systems remain poorly studied. Here, we discovered an association between a poplar (Populus trichocarpa) 5-enolpyruvylshikimate 3-phosphate synthase gene (PtrEPSP) lignin biosynthesis. Functional characterization PtrEPSP revealed that this...
Summary Plant terpene synthase genes ( TPS s ) have roles in diverse biological processes. Here, we report the functional characterization of one member soybean gene family, which was designated Gm AFS . Recombinant produced Escherichia coli catalysed formation a sesquiterpene E,E )‐α‐farnesene. is closely related to )‐α‐farnesene from apple, both phylogenetically and structurally. further investigated for its role defence against nematodes insects. Soybean cyst nematode SCN most important...
Methylation of certain lysine residues in the N-terminal tails core histone proteins nucleosome is fundamental importance regulation chromatin structure and gene expression. Such modification catalyzed by protein methyltransferases (PKMTs). PKMTs contain a conserved SET domain almost all cases may transfer one to three methyl groups from S-adenosyl-L-methionine (AdoMet) epsilon-amino group target residue. Here, quantum mechanical/molecular mechanical molecular dynamics free-energy...
Cerebellin precursor protein (Cbln1) is essential for synapse integrity in cerebellum through assembly into complexes that bridge pre-synaptic β-neurexins (Nrxn) to post-synaptic GluRδ2. However, GluRδ2 largely cerebellum-specific, yet Cbln1 and its little studied family members, Cbln2 Cbln4, are expressed throughout brain. Therefore, we investigated whether additional proteins mediate Cbln actions. Whereas bound Nrxns1-3, Cbln4 weakly or not at all, suggesting it has distinct binding...
Crassulacean acid metabolism (CAM) enhances plant water-use efficiency through an inverse day/night pattern of stomatal closure/opening that facilitates nocturnal CO2 uptake. CAM has evolved independently in over 35 lineages, accounting for ~ 6% all higher plants. Agave species are highly heat- and drought-tolerant, have been domesticated as model crops beverage, fiber, biofuel production semi-arid arid regions. However, the genomic basis evolutionary innovation genus is largely...
ABSTRACT The whole genome sequences of A. dauci DSM 28700, fastidiosus KKP 3000 (guaiacol producers), and 17978 (non‐guaiacol producer) were firstly determined. Then, the presence guaiacol biosynthetic gene cluster in 7 guaiacol‐producing 16 non‐guaiacol producing Alicyclobacillus strains was explored. Of producers investigated, a complete found K3000, acidiphilus NBRC 100859, suci VF‐FSL‐W10‐0049 FSL‐W10‐0048; only guaB , guaC guaD guaE genes herbarius 13609, guaA hesperidum subsp. aegles...
Chorismate mutase acts at the first branch-point of aromatic amino acid biosynthesis and catalyzes conversion chorismate to prephenate. The results molecular dynamics simulations substrate in solution active site are reported. Two nonreactive conformers found be more stable than reactive pseudodiaxial chair conformer solution. It is shown by QM/MM simulations, which take into account motions enzyme, that when these inactive bound site, they rapidly converted conformer. This result suggests...
We compute the stabilization energies of complexes formed between formate or water and a linear array n = 2−5 N-methylformamide (NMF) molecules. perform density functional theory (DFT), ab initio SCF MP2, SIBFA molecular mechanics computations. A very significant amount cooperativity is found by DFT in formate--(NMF)n complexes, amounting to −17 kcal/mol with 5. The computations fixed internal geometries for monomers recover up 80% values. Single-point SCF/MP2 at SIBFA-optimized give binding...
The potential energy function about the C–C single bond for ground state 1,3-butadiene has been derived from ab initio calculations at both Hartree–Fock (HF) level with 6-31G, 6-31G*, and 6-311G** basis sets second-order Mo/ller–Plesset perturbation (MP2) 6-31G* set complete geometry optimizations each of 15 fixed CCCC dihedral angles; total energies optimized geometries s-trans, gauche, s-cis conformers were also determined MP2 6-311G* third-order (MP3) set. second stable conformer...
Mercuric reductase, MerA, is a key enzyme in bacterial mercury resistance. This homodimeric captures and reduces toxic Hg2+ to Hg0, which relatively unreactive can exit the cell passively. Prior reduction, transferred from pair of cysteines (C558' C559' using Tn501 numbering) at C-terminus one monomer another (C136 C141) catalytic site other monomer. Here, we present X-ray structure C-terminal complex C136A/C141A double mutant MerA core explore molecular mechanism this Hg transfer with...
A theoretical force field for in-plane vibrations of benzene has been determined from ab initio calculations at both the Hartree–Fock level with 4-21G, 6-31G, and 6-31G* basis sets MP2 4-21G 6-31G sets. The average error calculated frequencies is between 2% 3%. reliability vibrational frequency predictions are analyzed. All diagonal stretching constants obtained in quantitative agreement Ozkabak–Goodman experimental field, while involving ring deformation CH rock somewhat overestimated by...