Xiaodan Xu

ORCID: 0000-0003-2876-3774
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About
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Research Areas
  • Genomics and Phylogenetic Studies
  • Plant and Fungal Species Descriptions
  • Natural product bioactivities and synthesis
  • Plant Diversity and Evolution
  • Computational Drug Discovery Methods
  • Sesquiterpenes and Asteraceae Studies
  • Plant tissue culture and regeneration
  • Flowering Plant Growth and Cultivation
  • Analytical Chemistry and Chromatography
  • Genetic diversity and population structure
  • Plant Toxicity and Pharmacological Properties
  • Fern and Epiphyte Biology
  • Plant biochemistry and biosynthesis
  • Plant Pathogens and Fungal Diseases
  • Plant Gene Expression Analysis
  • Polydiacetylene-based materials and applications
  • Protease and Inhibitor Mechanisms
  • Atmospheric chemistry and aerosols
  • Conducting polymers and applications
  • Zeolite Catalysis and Synthesis
  • African Botany and Ecology Studies
  • Catalysis and Oxidation Reactions
  • Ziziphus Jujuba Studies and Applications
  • Advanced Thermoelectric Materials and Devices
  • Antimicrobial Peptides and Activities

Kunming University of Science and Technology
2016-2025

Jinan University
2017

Huazhong Agricultural University
2009-2016

Nanyang Technological University
2009

Peking University
1999-2004

A novel method for the estimation of aqueous solubility was solely based on simple atom contribution. Each in a molecule has its own contribution to and developed. Altogether 76 types were used classify atoms with different chemical environments. Moreover, two correction factors, including hydrophobic carbon square molecular weight, account inter-/intramolecular interactions bulkiness effect. The coefficients factors generated multiple linear regression using learning set consisting 1290...

10.1021/ci034184n article EN Journal of Chemical Information and Computer Sciences 2003-10-29

The correlations between Caco-2 permeability (logPapp) and molecular properties have been investigated. A training set of 77 structurally diverse organic molecules was used to construct significant QSAR models for cell permeation. Cellular permeation found depend primarily upon experimental distribution coefficient (logD) at pH = 7.4, high charged polar surface area (HCPSA), radius gyration (rgyr). Among these three descriptors, logD may the largest impact on diffusion through because shows...

10.1021/ci049884m article EN Journal of Chemical Information and Computer Sciences 2004-07-01

Camellia reticulata Lindl. (C. reticulata) is the tallest ornamental camellia globally, with wild populations comprising a polyploid complex of diploids (2×), tetraploids (4×), and hexaploids (6×). The type specimen C. heteroploid hexaploid derived from 2 × ancestors, including pitardii, saluenensis, reticulata. Currently, limited information exists regarding evolutionary characteristics chloroplast genomes at different ploidy levels, phylogenetic position 4 remains unclear. This study...

10.1186/s12870-025-06349-5 article EN cc-by-nc-nd BMC Plant Biology 2025-03-12

Camellia reticulata is a well-known ornamental species with type specimen that an allohexaploid, possibly descended from diploid ancestors like C. saluenensis, pitardii, and reticulata. With over 1500 years of cultivation, heritage cultivars show varied ploidy levels, including hexaploid, octoploid, decaploid forms, though their are still unidentified. This study aims to trace these by cloning sequencing ITS 25 taxa RPB2 21 across various levels its traditional related species, combined...

10.3390/horticulturae11010085 article EN cc-by Horticulturae 2025-01-14

Quantitative structure−activity relationships (QSARs) for 35 cinnamamides were studied. By using a genetic algorithm (GA), group of multiple regression models with high fitness scores was generated. From the statistical analyses descriptors used in evolution procedure, principal features affecting anticonvulsant activity found. The significant include partition coefficient, molar refraction, Hammet σ constant substituents on benzene ring, and formation energy molecules. It could be found...

10.1021/ci990010n article EN Journal of Chemical Information and Computer Sciences 1999-08-19

A novel method for the calculations of 1-octanol/water partition coefficient (log P) organic molecules has been presented here. The method, SLOGP v1.0, estimates log P values by summing contribution atom-weighted solvent accessible surface areas (SASA) and correction factors. Altogether 100 atom/group types were used to classify atoms with different chemical environments, two correlation factors consider intermolecular hydrophobic interactions intramolecular hydrogen bonds. Coefficient have...

10.1021/ci034007m article EN Journal of Chemical Information and Computer Sciences 2003-04-11

This study delves into the exploration of genetic diversity and phylogenetic relationships within Camellia reticulata cultivars, providing a vital reference for horticultural research on this hetero-hexaploid species. Utilizing available transcriptome data from C. reticulata, novel low-copy nuclear gene sequences were successfully identified. With tailored primer design, these genes amplified sequenced 100 cultivars originating Kunming, Chuxiong, Dali, Tengchong in China. Five distinct found...

10.3390/horticulturae10030303 article EN cc-by Horticulturae 2024-03-21

The binding of a series hydroxamate inhibitors with gelatinase-A is examined to evaluate the viability calculating free energies binding, ΔGb, utilizing molecular dynamics (MD) simulations linear interaction energy approach. In our simulations, bonded model was used represent potentials catalytic zinc center. electrostatic distribution this derived using two-stage potential fitting calculations. resulting then generate MD trajectories. Coulombic, van der Waals, and coordinate bond components...

10.1021/jp0044476 article EN The Journal of Physical Chemistry B 2001-05-31

The methods of grand canonical Monte Carlo (GCMC) simulation and molecular dynamics (MD) are used for investigating the adsorption diffusion benzene in ITQ-1 zeolite. First, energies preferred sites determined by using GCMC simulations. obtained mass clouds show that mobility mainly happen 12-MR supercages where can be divided to three separate sites. Then MD simulations employed analyze dynamic processes calculated coefficients compared with results Sastre et al. (Sastre, G.; Catlow, C.;...

10.1021/jp000460e article EN The Journal of Physical Chemistry B 2000-09-07

Gerbera hieracioides (Kunth) Zardini of the Gerbera-complex (Mutisieae, Asteraceae/Compositae) is distributed in Ecuador and Peru. This perennial herb was first named as Onoseris Kunth later recognised Trichocline Ferreyra. Now it generally treated but has never been included any section Gerbera. In this study, position assessed based on morphology a molecular phylogeny that includes G. 28 other species from Gerbera-complex. Morphologically, bears leaves with adaxial epidermal surface...

10.3897/phytokeys.95.22916 article EN cc-by PhytoKeys 2018-02-09

Recently the Asian Gerbera species were shown to form a clade that was not sister group of African . In this study, position further assessed based on morphology and molecular phylogenetic analyses included six 26 other from -complex. Morphological results showed species, which sampled, bear leaves with adaxial epidermal surface lacking stomates, possess bracteate scapes lack inner ray florets. These characters suggest are most closely related Uechtritzia , also share similar pollen grain...

10.3897/phytokeys.96.23142 article EN cc-by PhytoKeys 2018-03-08

With the robust development of carbon material science, nanotubes (CNTs) possessing novel chemical properties, unique high surface area and outstanding thermal electronic properties have gained a special interest in membrane applications. The preparation nanotube (CNT) films CNT hybrid membranes is still great importance because new demands for materials that defined architectures improved properties. Due to area, excellent electron conductivity, superhydrophobicity enhanced mechanical...

10.2174/1385272819666151006010153 article EN Current Organic Chemistry 2015-10-15

Gerbera delavayi (fireweed, Asteraceae) is a perennial herb native to southwest China and the neighboring Vietnam. In recent years, species' distribution abundance have seriously declined, because its leaves been excessively harvested for textile industry. this study, 19 polymorphic neutral microsatellite primer pairs were developed based on transcriptome sequencing of G. then used infer influence human activities genetic diversity population structure nine wild populations (204...

10.5735/085.054.0623 article EN Annales Botanici Fennici 2017-11-01
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