AI Medical Compendium Journal:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Showing 1 to 10 of 184 articles

Diagnosis of uterine diseases by label-free serum SERS fingerprints with machine learning.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Early detection of uterine diseases is critically important for women's reproductive health. Here, we propose a novel and robust serum-based SERS analysis platform that integrates machine learning algorithms. This is the first application of it in th...

Novel reliable model by integrating the discrete wavelet transform with fuzzy intelligent systems for the simultaneous spectrophotometric determination of anticancer drug and anti-acquired resistance drug in biological samples.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Simultaneous measurement of drugs used to treat cancer and medications prescribed to overcome resistance to these drugs is important in pharmaceutical formulations and biological samples. In this study, a spectrophotometric method with a hybrid of di...

Predicting the composition of aroma components in Baijiu using hyperspectral imaging combined with a replication allocation strategy-enhanced stacked ensemble learning model.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Ester and acid aroma compounds are crucial components affecting the fragrance of Baijiu, and their composition can endow the Baijiu with a fruity, acidic, floral, or roasted aroma. This study aims to quantitatively detect the ester and acid content i...

Breast cancer early detection and molecular subtype prediction by combination of Raman spectroscopy with deep learning.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Breast cancer is one of the most common tumors in women, and early screening can significantly reduce mortality rates. Meanwhile, accurately identifying HER2-positive and HER2-negative subtypes of breast cancer is critical for helping doctors determi...

The vertices number determined SERS activity of polyhedra and the application in oral cancer detection based on deep learning.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Due to the inherent specificity and high sensitivity, biomedical detections based on Surface-Enhanced Raman Scattering (SERS) technology have garnered increasing attention. In the SERS detection process, fabricating a highly sensitive SERS substrate ...

Integrated analysis of restraint stress in rat serum using ATR-FTIR and Raman spectroscopy with Machine learning.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
In forensic practice, accurately determining whether an individual has been subjected to prolonged restraint or assessing injuries resulting from restraint can be challenging. To address this, we explored a novel approach using attenuated total refle...

Variational mode decomposition unfolded extreme learning machine for spectral quantitative analysis of complex samples.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Considering the advantages of variational mode decomposition (VMD) in mathematical decomposition and extreme learning machine (ELM) in data modeling, a new regression model named variational mode decomposition unfolded extreme learning machine (VMD-U...

Rapid detection and identification of plastic waste based on multi-wavelength laser Raman spectroscopy combining machine learning methods.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Plastic waste has become a significant environmental concern, necessitating advancements in recycling efficiency.Enhancing the purity of recycled plastics facilitates the selection of suitable processing methods for different materials, thereby optim...

A novel ultrasensitive derivatization-free synchronous fluorescence approach for the simultaneous analysis of propofol and nalbuphine in human plasma and dosage forms: Compliance with greenness and blueness metrics.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
This study presents a very sensitive and eco-friendly synchronous spectrofluorimetric method for the simultaneous quantification of propofol (PRP) and nalbuphine (NAL) for the first time. The technique used the intrinsic fluorescence characteristics ...

Machine learning driven trace detection of pesticide mixtures using citrate optimized Au nanoparticles based in-expensive efficient micro-drop SERS with portable spectrometer.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Machine learning (ML)-based surface-enhanced Raman scattering (SERS) spectra analysis has potential to determine the composition of analyte mixtures. The requirement for this task is to acquire spectral datasets from numerous sample matrices and expe...