A5013054784- Spectroscopy and Chemometric Analyses
- Analytical Chemistry and Chromatography
- Spectroscopy Techniques in Biomedical and Chemical Research
- Water Quality Monitoring and Analysis
- Advanced Chemical Sensor Technologies
- Blind Source Separation Techniques
- Pesticide Residue Analysis and Safety
- Computational Drug Discovery Methods
- Esophageal Cancer Research and Treatment
- Traditional Chinese Medicine Analysis
- Metabolomics and Mass Spectrometry Studies
- Analytical Methods in Pharmaceuticals
- Genetic factors in colorectal cancer
- Cancer Genomics and Diagnostics
- Fault Detection and Control Systems
- Tensor decomposition and applications
- Chromatography in Natural Products
- Phytochemicals and Antioxidant Activities
- Cancer-related gene regulation
- Identification and Quantification in Food
- Gene expression and cancer classification
- Electrochemical sensors and biosensors
- Genomics, phytochemicals, and oxidative stress
- Gastric Cancer Management and Outcomes
- Fermentation and Sensory Analysis
Hunan University
2016-2025
State Key Laboratory of Chemobiosensing and Chemometrics
2016-2025
Chinese Academy of Forestry
2022-2025
Peking University Shenzhen Hospital
2022-2024
Zhejiang Ocean University
2024
Tianjin University of Technology
2024
Bloomberg (United States)
2023
Johns Hopkins University
2023
Jinan Stomatological Hospital
2023
Changchun University of Chinese Medicine
2022
In this paper an alternating trilinear decomposition (ATLD) algorithm that is improvement of the traditional PARAFAC without any constraints described as alternative for three-way data arrays. It based on least squares principle and improved iterative procedure that, in a real sense, uses Moore–Penrose generalized inverse with singular value decomposition. Its performance compared by series Monte Carlo simulations different noise levels. was found ATLD has capability to converge faster than...
Small molecule near-infrared (NIR) fluorophores play a critical role in disease diagnosis and early detection of various markers living organisms. To accelerate their development design, deep learning platform, NIRFluor, was established to rapidly screen small NIR with the desired optical properties. The core component NIRFluor is state-of-the-art model trained on 5179 experimental big data. First, novel hybrid fingerprints including Morgan fingerprints, physicochemical properties, solvent...
Developments in chemical multiway calibration methodologies chemometrics that have taken place tune with advances modern (hyphenated) analytical instrumentation been reviewed this article. These the ability to predict concentration of an analyte using information‐rich data collected from such instruments are outstanding examples philosophy method development outlined by Bruce R. Kowalski more than three decades ago. With increase complexity objects, sophistication has also enhanced....
The development of ultrasensitive and rapid methods for the detection dipicolinic acid (DPA), a biomarker bacterial spores including Bacillus anthracis, is increasingly important. This paper reports results an investigation surface enhanced Raman spectroscopy (SERS) based DPA using gold nanoparticle/polyvinylpyrrolidone/gold substrate (AuNPs/PVP/Au). strong SERS effect this exploits particle−particle particle−substrate plasmonic coupling, which optimized by manipulating diameter...
The critical challenges for fluoride conversion cathodes lie in the absence of built-in Li source, poor capacity retention, and rate performance. For lithiated fluorides, reason to limit their competitiveness is rooted facile coarsing insulating LiF (as source) its insufficient splitting kinetics during charging. Previous efforts on blending nanodomains with reductive metal, metal oxide, or by ball-milling method still face problems large overpotential low current density. Herein we propose...
Abstract Effective representation of molecules is a crucial factor affecting the performance artificial intelligence models. This study introduces flexible, fragment-based, multiscale molecular framework called t-SMILES (tree-based SMILES) with three code algorithms: TSSA (t-SMILES shared atom), TSDY dummy atom but without ID) and TSID ID atom). It describes using SMILES-type strings obtained by performing breadth-first search on full binary tree formed from fragmented graph. Systematic...
Urbanization has profoundly reshaped ecosystem services (ESs) through extensive land use and cover (LULC) changes, resulting in significant spatial disparities ecological inequities. This study focused on the inequities of ESs Anhui Province with an emphasis mediating role LULC transitions urbanization-driven changes. We analyzed spatial-temporal dynamics ES urbanization levels, driving mechanisms urbanization, relationships among ES, LULC. The results revealed pronounced ESs, southern...
Retention time shifts across chromatographic fingerprints can negatively impact the reliability of quantitative and similarity analysis results. Hence, we present a novel two-dimensional convolution sharpening-based solution (Conv2dPA) for nonlinear peak alignment co-eluting components in highly complex samples. The core Conc2dPA is exploitation intrinsic bilinear structure chromatographic-spectral data specially designed sharpening filters to compensate lack resolution spectral selectivity...
ABSTRACT With the development of analytical instrument towards more and high‐way complex, it is very important meaningful work to obtain ultra‐high‐way chemical data explore its methods. In this paper, a novel excellent six‐way algorithm combination method (six‐way ACM) was proposed. addition, real chemically sexalinear array obtained constructed for first time. The proposed has highly collinearity, which puts forward higher requirements parsing certain extent. To verify feasibility...