Wavelength selection method for near-infrared spectroscopy based on Max-Relevance Min-Redundancy.

Near-infrared spectroscopy (NIRS) is a rapid, nondestructive analytical technique utilized in various fields. However, the NIR data, which consists of hundreds of dimensions, may exhibit considerable duplication in the spectrum information. This redundancy might impair modeling effectiveness. As a result, feature selection on the spectral data becomes critical. The Max-Relevance Min-Redundancy (mRMR) method stands out among the different feature selection techniques for dimensional reduction. The approach depends on mutual information (MI) between random variables as the basis for feature selection and is unaffected by modeling methods. However, it is necessary to clarify the benefits of the maximum correlation minimal redundancy algorithm in the context of near-infrared spectral feature selection, as well as its adaptability to various modeling methods. This research focuses on the NIR spectral dataset of maize germination rate, and the mRMR method is utilized to select spectral features. Based on the preceding foundation, we create models for Support Vector Regression, Gaussian Process Regression, Random Forest, and Neural Networks. The experimental findings demonstrate that, among the feature selection methods employed in this paper, the Max-Relevance Min-Redundancy algorithm outperforms others regarding the corn germination rate dataset.

Analysis of Chinese Medical Syndrome Features of Ischemic Stroke Based on Similarity of Symptoms Subgroup.

OBJECTIVE: To derive the Chinese medicine (CM) syndrome classification and subgroup syndrome characteristics of ischemic stroke patients. METHODS: By extracting the CM clinical electronic medical records (EMRs) of 7,170 hospitalized patients with ischemic stroke from 2016 to 2018 at Weifang Hospital of Traditional Chinese Medicine, Shandong Province, China, a patient similarity network (PSN) was constructed based on the symptomatic phenotype of the patients. Thereafter the efficient community detection method BGLL was used to identify subgroups of patients. Finally, subgroups with a large number of cases were selected to analyze the specific manifestations of clinical symptoms and CM syndromes in each subgroup. RESULTS: Seven main subgroups of patients with specific symptom characteristics were identified, including M3, M2, M1, M5, M0, M29 and M4. M3 and M0 subgroups had prominent posterior circulatory symptoms, while M3 was associated with autonomic disorders, and M4 manifested as anxiety; M2 and M4 had motor and motor coordination disorders; M1 had sensory disorders; M5 had more obvious lung infections; M29 had a disorder of consciousness. The specificity of CM syndromes of each subgroup was as follows. M3, M2, M1, M0, M29 and M4 all had the same syndrome as wind phlegm pattern; M3 and M0 both showed hyperactivity of Gan (Liver) yang pattern; M2 and M29 had similar syndromes, which corresponded to intertwined phlegm and blood stasis pattern and phlegm-stasis obstructing meridians pattern, respectively. The manifestations of CM syndromes often appeared in a combination of 2 or more syndrome elements. The most common combination of these 7 subgroups was wind-phlegm. The 7 subgroups of CM syndrome elements were specifically manifested as pathogenic wind, pathogenic phlegm, and deficiency pathogens. CONCLUSIONS: There were 7 main symptom similarity-based subgroups in ischemic stroke patients, and their specific characteristics were obvious. The main syndromes were wind phlegm pattern and hyperactivity of Gan yang pattern.

Application of the combination method based on RF and LE in near infrared spectral modeling.

The dimensionality of near-infrared (NIR) spectral data is often extremely large. Dimensionality reduction of spectral data can effectively reduce the redundant information and correlation between spectral variables and simplify the model, which is crucial to increasing the model's performance. As a nonlinear feature extraction method, Laplacian Eigenmaps (LE) may preserve the local neighborhood information of the dataset, has high robustness, and is simple to compute. However, when the LE algorithm maps the data from high-dimensional space to low-dimensional space, it is often disturbed by irrelevant information and multicollinearity in the spectral data, which lowers the model's prediction performance. Random Frog (RF) algorithm can eliminate noise and collinearity in the spectrum. Therefore, before using the LE algorithm, we use the RF algorithm to eliminate irrelevant information in the spectrum and reduce the correlation between the spectra variables to increase the efficiency of the LE algorithm. We used the RF + LE algorithm to reduce the dimensionality of two public NIRS datasets (soil datasets and pharmaceutical tablets datasets) and compared it with RF and LE algorithms alone. We utilized Partial Least Squares Regression (PLSR) and Support Vector Regression (SVR) to establish regression models. The experimental findings demonstrate that compared with the RF algorithm and LE algorithm, the RF + LE combination method can reduce the dimension of spectral variables and model complexity, and improve regression models' prediction accuracy and stability. It is an effective dimensionality reduction method for the near-infrared spectrum.

Application of adaptive Laplacian Eigenmaps in near infrared spectral modeling.

Laplacian Eigenmaps is a nonlinear dimensionality reduction algorithm based on graph theory. The algorithm adopted the Gaussian function to measure the affinity between a pair of points in the adjacency graph. However, the scaling parameter σ in the Gaussian function is a hyper-parameter tuned empirically. Once the value of σ is determined and fixed, the weight between two points depends wholly on the Euclidian distance between them, which is not suitable for multi-scale sample sets. To optimize the weight between two points in the adjacency graph and make the weight reflect the scale information of different sample sets, an adaptive LE improved algorithm is used in this paper. Considering the influence of adjacent sample points and multi-scale data, the Euclidean distance between the k-th nearest sample point to sample point xi is used as the local scaling parameter σi of xi, instead of using a single scaling parameter σ. The efficiency of the algorithm is testified by applying on two public near-infrared data sets. LE-SVR and ALE-SVR models are established after LE and ALE dimension reduction of SNV preprocessed data sets. Compared with the LE-SVR model, the R2 and RPD of the ALE-SVR model established on the two data sets are improved, while RMSE is decreased, indicating that the prediction effect and stability of the regression model are established by the ALE algorithm are better than that of the traditional LE algorithm. Experiments show that the ALE algorithm can achieve a better dimensionality reduction effect than the LE algorithm.

[Method for the Discrimination of the Variety of Potatoes with Vis/NIR Spectroscopy].

Potato (Solanum tuberosum L.) , as one of the most important carbohydrate food crops in the China ranking thefourth after rice, wheat and maize, plays a significant role in national economy. Since there are many varieties of potato, the quality such as physical sensory property and chemical components, differ drastically with the variety of potato. Different potato varieties are suitable for different utilization. Thus, the rapid and nondestructive identification of potato cultivars plays an important role in the better use of varieties. Near infrared (NIR) spectroscopy has raised a lot of interest in the classification and identification of agricultural products because it is a rapid and non-invasive analytical technique. In this study, a rapid visible (VIS) and near infrared (NIR) spectroscopic system was explored as a tool to measure the diffuse spectroscopy of three different species of potatoes. 352 potato samples (Sample A 142, Sample B 84, Sample C 126) from different sites in Heilongjiang province of China, obtained from peddlers market, were randomly divided into two sets at random: calibration set and prediction set, with 307 samples and 45 samples respectively for each set. The potatoes in the calibration set were tested with visible-near infrared spectroscopy method. The spectral data obtained from this test were analyzed with near infrared spectral technology, along with data processing algorithm, i.e., Savitzky-Golay (S-G) smoothing and multiplicative scatter correction (MSC). The spectra data was firstly transformed by multiplicative scatter correction (MSC) to compensate for additive and/or multiplicative effects. In order to reduce the noise components from a raw spectroscopic data set, Savitzky-Golay smoothing and differentiation filter method were introduced. It was proved that, with the soothing segment size of 9, many high frequency noises components can be eliminated. Based on the following analysis with principal component analysis (PCA), partial least square (PLS) regression and back propagation artificial neural network (BP-ANN), a near infrared discrimination model was established. The results obtained from the partial least squares (PLS) analysis showed a positive cumulate reliability of more than 96% for the first four components. The clustering effect was also getting better. After that, twenty absorption peaks extracted from the first four principal components were applied as BP neural network inputswhile a three layers BP neural network [20(input) - 12(implicit) - 3 (output)] was constructed, upon which the recognition accuracy of potato varieties for those Prediction Set samples reaches 100%. As a result, the model established in this study can rapidly and accurately identify potato varieties without any destruction, which provides a new way for potato quality detection and variety identification.

Preparation of magnetic resonance probes using one-pot method for detection of hepatocellular carcinoma.

AIM: To prepare the specific magnetic resonance (MR) probes for detection of hepatocellular carcinoma (HCC) using one-pot method. METHODS: The carboxylated dextran-coated nanoparticles were conjugated with anti-α-fetoprotein (anti-AFP) or anti-glypican 3 (anti-GPC3) antibodies through 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride/N-hydroxysuccinimide (EDC/NHS)-mediated reaction to synthesize the probes. The physical and chemical properties of the probes were determined by transmission electron microscopy (TEM) and dynamic light scattering, and the relaxivity was compared to uncombined ultrasmall superparamagnetic iron oxide nanoparticles (USPIONs) using a 1.5T clinical MR scanner. The binding efficiency of the antibodies to nanoparticles was measured with an ultraviolet-visible spectrophotometer. In addition, the probes were incubated with targetable cells in vitro. RESULTS: The superparamagnetic MR probes (anti-GPC3-USPION probe and anti-AFP-USPION probe) were synthesized using one-pot method. Their mean hydrodynamic diameter was 47 nm with a broader slight size distribution. The coupling efficiency of carboxylated dextran-coated ultrasmall superparamagnetic iron oxide (USPIO) with anti-GPC3 or anti-AFP antibody was 15.9% and 88.8%, respectively. Each of the USPIO nanoparticles may bind 3 GPC3 antibodies or 12 AFP antibodies. The statistical analysis showed no significance (P > 0.05) in shortening the T1 and T2 values when comparing the USPIO-AFP or USPIO-GPC3 to USPIO. Analysis of TEM images revealed that anti-GPC3-USPION probes and anti-AFP-USPION probes could specifically enter into the HepG2 cell by combining with the GPC3 receptors or AFP receptors, whereas the HepG2 cell sample incubated with USPIONs showed no or few nanoparticles in the cytoplasm. CONCLUSION: The synthesized probes using one-pot method can be used for in vitro experimental study and have potential clinical application in MR imaging for detection of hepatocellular carcinomas.

Superparamagnetic iron oxide-enhanced magnetic resonance imaging for focal hepatic lesions: systematic review and meta-analysis.

AIM: To evaluate the performance of superparamagnetic iron oxide (SPIO)-enhanced magnetic resonance imaging (MRI) in the detection and characterization of focal hepatic lesions (FHLs). METHODS: This meta-analysis compared relevant studies that were identified by searching PubMed, EMBASE, and the Cochrane Library databases for articles published between January 1988 and September 2014 and that met the following criteria: (1) SPIO-enhanced MRI was conducted to identify FHLs and data were sufficient for pooled analysis using Meta-DiSc 1.4; (2) hepatocellular carcinomas (HCCs) were differentiated from other FHLs; (3) well-differentiated HCCs (WD-HCCs) were contradistinguished from dysplastic nodules; and (4) WD-HCCs were compared with moderately and poorly differentiated HCCs (MD- and PD-HCCs, respectively). RESULTS: The data obtained from 15 eligible studies yielded a sensitivity of 85% and a specificity of 78% for differentiating between HCCs and other FHLs. The sensitivity was unchanged and the specificity was increased to 87% when non-HCC malignancies were excluded. Comparative analyses between WD-HCCs and MD- and PD-HCCs from seven studies showed a sensitivity of 98% and a specificity of 50% for the diagnosis of MD- and PD-HCCs, and the area under the summary receiver operating characteristics (sROC) curve was 0.97. A comparison between WD-HCCs and dysplastic nodules revealed a sensitivity of 50% and a specificity of 92% for the diagnosis of WD-HCCs and the area under the sROC curve was 0.80. CONCLUSION: SPIO-enhanced MRI is useful in differentiating between HCCs and other FHLs.

Antiviral effects of Jinxin oral liquid against respiratory syncytial virus infection in the BALB/c mice model.

ETHNOPHARMACOLOGICAL RELEVANCE: Jinxin oral liquid (JOL) is used in traditional Chinese medicine (TCM) to treat influenza, cough, asthma, and viral pneumonia, on the basis of Ma Xing Shi Gan Tang (MXSGT) and the clinical experience of Professor Wang Shouchuan, one of the most prestigious pediatricians in China. AIM OF STUDY: To investigate the anti-inflammatory and antiviral activities of JOL in mice infected with respiratory syncytial virus (RSV). MATERIALS AND METHODS: Mice were orally administered JOL at doses of 27.6 g kg(-1) d(-1) and 55.2 g kg(-1) d(-1) for 1, 3, or 6d after RSV challenge. The viral loads in the lung tissue were measured by real-time RT-PCR. The levels of IFN-ß in bronchoalveolar lavage fluid (BLAF) and lung tissue were detected by ELISA and real-time RT-PCR, respectively. The mRNA and protein expression of TLR3, IRF3, and SOCS1 were detected by real-time RT-PCR and western blot, respectively. The protein expression of phoshorylated-IRF3 (p-IRF3) was detected by western blot. RESULTS: JOL significantly ameliorated lung inflammation in RSV-infected mice, and significantly reduced the viral load in the lung tissues. On days 2 and 4 after infection, the mRNA and protein expression of IFN-ß, TLR3, IRF3 (p-IRF3), and SOCS1 were significantly downregulated in RSV-infected mice treated with JOL. However, 7d after infection, JOL significantly upregulated the RSV-induced decrease in IFN-ß, TLR3, and IRF3 (p-IRF3), but reduced SOCS1 expression. CONCLUSIONS: JOL ameliorated lung inflammation and inhibited virus replication significantly in RSV-infected mice. During early stage infection, the effect of JOL was improved through inhibition of the TLR3-IRF3-IFN-ß signaling pathway and the expression of SOCS1, whereas during the later stage of infection, JOL upregulated the expression of key signaling molecules in the TLR3 signaling pathway and downregulated the expression of SOCS1.

Study on the methodology of developing evidence-based clinical practice guidelines of Chinese medicine.

At present, evidence-based clinical practice guideline (EBCPG) is the main mode of developing clinical practice guidelines (CPGs) in the world, but in China, most of CPGs of Chinese medicine (CM) are still guidelines based on expert consensus. The objective of this study is to construct initially the methodology of developing EBCPGs of CM and to promote the development of standardization of CM. Based on the development of "Guideline for Diagnosis and Treatment of Common Pediatric Diseases in CM", the methodology of developing EBCPG of CM was explored by analyzing the pertinent literature and considering the characteristics of CM. In this study, the key problem was to put forward the suggestion and strategies. However, due to the methodology study of developing EBCPG of CM is still in the initial stage, there are still some problems which need further study.

[Regulation of Jinxin Oral Liquid for the expression of negative regulatory factor of TLR3 signaling pathway SOCS1 in RSV infected BALB/c mice].

OBJECTIVE: To investigate the regulation trend of Jinxin Oral Liquid (JXOL) on the expression of negative regulatory factor of TLR3 signaling pathway SOCS1 in the lung tissue of RSV infected BALB/c mice at different time points. METHODS: Totally 75 BALB/c mice were randomly divided into 5 groups, i.e., the normal control group, the model group, the ribavirin group, the high dose JXOL group, and the equivalent dose JXOL group, 15 in each group. Each group had 3 intervention ways (I, II, and III) with 5 mice treated in each group. BALB/c mice were nasally infected with respiratory syncytial virus (RSV), and treated by different intervention ways. After intervention, mice were killed and their lung tissues were sampled, mRNA expression levels of RSV-M, SOCS1, and IFN-ß were detected by Real time PCR. The expression of SOCSl at the protein level was detected by Western blot. RESULTS: Compared with the normal control group, the mRNA expression level of SOCS1 and IFN-ß, and the protein expression level of SOCS1 increased significantly in the model group intervened by intervention I and II (all P < 0.01), but the mRNA expression level of IFN-ß decreased significantly in model group intervened by intervention III (P < 0.01). Compared with the model group, the mRNA expression level of RSV-M all significantly decreased in the high dose JXOL group and the equivalent dose JXOL group intervened by 3 intervention ways (all P < 0.01). The mRNA expression level of SOCS1 significantly decreased in the high dose JXOL group intervened by intervention I and III and the equivalent dose JXOL group intervened by 3 intervention ways (all P < 0.01). The mRNA expression level of IFN-ß significantly decreased in the high dose JXOL group intervened by intervention I and II and the equivalent dose JXOL group intervened by intervention I (all P < 0.01), while it significantly increased in the high dose JXOL group intervened by intervention III and the equivalent dose JXOL group intervened by intervention III (all P < 0.01). The protein expression level of SOCS1 significantly decreased in the high dose JXOL group intervened by intervention I and the equivalent dose JXOL group intervened by 3 intervention ways (all P < 0.01), while it significantly increased in the high dose JXOL group intervened by intervention III (all P < 0.01). Compared with the high dose JXOL group, the mRNA expression level of RSV-M decreased significantly in the equivalent dose JXOL group intervened by intervention I and II (P < 0.01). The mRNA expression level of SOCS1 and IFN-ß decreased significantly in the equivalent dose JXOL group intervened by intervention I (P < 0.01), but the mRNA expression level of IFN-ß increased significantly in the equivalent dose JXOL group intervened by intervention II and III (all P < 0.01). The protein expression level of SOCS1 decreased significantly in the equivalent dose JXOL group intervened by 3 intervention ways (all P < 0.01). CONCLUSIONS: JXOL could inhibit the expression of SOCS1 in the lung tissue of RSV infected BALB/c mice at different time points. Its regulatory effect might be associated with promoting the expression of interferon type I and further fighting against RSV.

Whole-spine magnetic resonance imaging study in healthy Chinese adolescents.

OBJECTIVE: To establish a preliminary magnetic resonance imaging (MRI) database of whole spine of healthy Chinese adolescents. METHODS: MRI examination of whole spine and hindbrain was performed in 41 enrolled students aged 11-17 years (mean age 13.95; 18 males, 23 females) using a 1.5-T MR Scanner. Measurements of the ratio of anteroposterior (AP) and transverse (TS) diameters of the cord, cerebellar tonsillar level related to the basion-opsithion (BO) line, location of conus medullaris, total cord length, total vertebral length, cord/vertebral length ratio, thoracic cord area, thoracic vertebral area, thoracic cord/vertebral area ratio were obtained. RESULTS: Mean values of cervical AP and TS were 6.63 mm and 12.21 mm, respectively. The mean level of cerebellar tonsillar related to BO line was 3.97 mm. Mean level of conus medullaris located in L1 lower 1/3. Total cord length was 399.34 mm, total vertebral length was 529.49 mm, Cord/vertebral length ratio was 0.75 and thoracic cord/vertebral area ratio was 0.17 on average. Vertebral length was correlated with age (r = 0.352, P = 0.024) whereas cord length and their ratio were not (P > 0.05). Compared with female, male had significantly larger cervical AP and TS, longer cervical cord (P < 0.01), higher position of conus medullaris (P < 0.05). CONCLUSION: MRI is a useful tool for assessment of the whole spine. The longitudinal and cross-sectional morphology of spinal cord in healthy Chinese adolescents may benefit further study of spine cord in adolescent idiopathic scoliosis as well as in other spine diseases.

Uncoupled neuro-osseous growth in adolescent idiopathic scoliosis? A preliminary study of 90 adolescents with whole-spine three-dimensional magnetic resonance imaging.

Previous literatures revealed abnormal cross-sectional morphology of spinal cord in AIS, suggesting the presence of disproportional growth between the neural and skeletal system. No accurate measurement of whole spine by MRI multiplanar reconstruction and their correlation with Cobb angle were studied. In this study, MRI three-dimensional reconstruction of the whole spine was performed in 90 adolescents (49 AIS with thoracic/thoracolumbar curve, and 41 age-matched healthy controls). Measurements of the ratio of anteroposterior (AP) and transverse (TS) diameter of the cord, the concave and convex lateral cord space (LCS) were obtained at the apical level in AIS patients. Cerebellar tonsillar level related to the basion-opsithion line, location of conus medullaris, cord length, vertebral column length, cord/vertebral column length ratio were obtained. All of the same parameters were also measured in healthy controls at matched vertebral levels and their correlations with Cobb angle were made. We notice that AP, TS, AP/TS and LCS ratio were increased in AIS subjects with low-lying position of cerebellar tonsillar level and elevating position of conus medullary when compared with healthy controls (P < 0.01). AP, AP/TS and LCS ratio were correlated significantly with Cobb angle (P < 0.05). Cord length and vertebral column length were not significantly different between AIS and control group. However, cord/vertebral column length ratio was significantly smaller in AIS group (P < 0.01). Cord length, vertebral column length and cord/vertebral column length ratio were not related with age or Cobb angle (P > 0.05). These data suggest the presence of uncoupled neuro-osseous growth along the longitudinal axis of spinal cord with associated morphologic changes of cross-sectional configuration and relative position of the cord. Some changes are significantly relevant with Cobb angle, which may indicate pathogenesis of AIS.