[Evaluation of taste changes of Scutellariae Radix before and after wine-frying based on electronic ongue technology and its application in identification of Scutellariae Radix pieces].

Scutellariae Radix(Huangqin) is a well-known traditional Chinese medicine(TCM) used for the treatment of clearing heat in clinical application. It is bitter-cold by using directly, but the bitter-cold property can be relieved after wine-frying. The study of taste changes before and after wine-frying of Scutellariae Radix is of great significance in identifying Scutellariae Radix and wine-processed Scutellariae Radix and clarifying the traditional theory of wine-processing. In this experiment, 10 batches of Scutellariae Radix and wine-processed Scutellariae Radix were prepared. The contents of 5 flavonoids were determined by high performance liquid chromatography(HPLC), and principal component analysis(PCA) was performed with 5 flavonoids as variables. As a result, the contents were different in different batches of Scutellariae Radix, but Scutellariae Radix and wine-processed Scutellariae Radix could not be distinguished. Five sensory attributes(sour, salty, fresh, sweet, and bitter) were evaluated by artificial tasting, and the response values of 7 sensors(AHS, AHS, PKS, CTS, NMS, CPS, ANS, SCS) representing the taste of pieces were detected by electronic tongue. The correlation between sensory evaluation and response values of the electronic tongue were analyzed, and the results showed that the sensory evaluation of sour, salty, fresh, sweet, bitter and AHS, CTS, NMS, ANS, SCS sensors had different degrees of correlation, indicating that the electronic tongue technology can be used as an alternative to artificial taste and can serve as a means for quantifying the taste, and it can be used to evaluate the taste of TCM pieces. The taste method was used to analyze the response values of the electronic tongue, and the results showed that the bitterness of wine-processed Scutellariae Radix decreased and the salty taste increased. PCA was used to analyze taste changes before and after wine-processed Scutellariae Radix, and the results showed that taste differences between 2 pieces were divided into 2 categories. PCA loading scattering plots showed that response of saltiness and bitterness were the major factors to affect overall taste in Scutellariae Radix and wine-processed Scutellariae Radix. Based on electronic tongue response values, the Fisher discriminant model for Scutellariae Radix and wine-processed Scutellariae Radix was established, which showed that it could effectively discriminate them with a recognition rate of 100%. The experimental results showed that the electronic tongue combined with multivariate statistical analysis can be used to evaluate taste of TCM, at the same time, it could provide a fast and simple method for identifying different processed products.

Optimal collision energy is an eligible molecular descriptor to boost structural annotation: An application for chlorogenic acid derivatives-focused chemical profiling.

Tandem mass spectrometry (MS/MS), in particular high-resolution MS/MS, is able to provide element compositions and substructures for the detected signals. However, it is still challenging to configure the whole structures via linking those substructures. Efforts were devoted here to propose and validate optimal collision energy (OCE) to be an auxiliary structural clue to mass-to-charge ratios (m/z), and online energy-resolved MS was developed to yield OCEs. Chlorogenic acid derivatives (CADs) were utilized as the proof-of-concept because diverse isomers usually initiated by the different linkage manners between the quinic acid/shikimic acid and cinnamoyl substituents(s), i.e. caffeoyl group, coumaroyl group, etc. Liquid chromatography-hybrid ion trap-time of flight MS (LC-IT-TOF-MS) was implemented to capture CADs in two well-known herbal medicines namely Lonicerae japonicae Flos and Inulae Flos. Afterwards, hybrid triple quadrupole-linear ion trap MS (Qtrap-MS) was deployed to acquire OCEs for the primary fragmentation pathways of all detected CADs through online energy-resolved MS. On the other side, structural calculations were conducted to figure out the relationships between OCEs and bond properties. Isomeric differences occurred for OCEs, and LC elution program as well as ionization parameters could not affect OCEs. Twenty-four and thirty-one CADs were hunted and putatively identified by LC-IT-TOF-MS in Lonicerae japonicae Flos and Inulae Flos, respectively, and the structural annotation was advanced by applying the OCE-bond property relationships. To verify the structures, CADs-of-interest were purified from Lonicerae japonicae Flos using an automated fraction collector and definitely identified with NMR spectroscopy. Exact consistence occurred for the structural identification of mono-caffeoylquinic acid isomers between LC-MS/MS and NMR analyses. Consequently, OCE is an inherent physicochemical parameter of a given compound and is an eligible structural descriptor to offset the ability of LC-MS/MS towards the chemical profiling of complex matrices.

[Correlation between color of Scutellariae Radix pieces and content of five flavonoids after softening and cutting by different methods].

Scutellariae Radix is one of the commonly used heat-clearing and damp-drying drugs in clinical practice. Establishment of the quality evaluation system for Scutellariae Radix is of great significance to ensure safety and effectiveness of clinical drug use.Scutellariae Radix pieces were prepared under different processing conditions with 3 softening methods: boiling,atmospheric steaming and pressurized steaming. High performance liquid chromatography( HPLC) method was used to determine the content of five flavonoids in Scutellariae Radix,and L*,a*,b*values representing color chromaticity of Scutellariae Radix powder were measured by colorimeter,then total color value E*was calculated. Simple correlation and canonical correlation analysis was used to explore the correlation between color of Scutellariae Radix powder and content of five flavonoids. The results showed that the contents of baicalin and wogonoside were significantly positively correlated with L*,b*and E*values,but negatively correlated with a*value. The contents of wogonin,apigenin,and melaleuca A were positively correlated with a*value,but negatively correlated with L*,b*,and E*values( P<0. 01). There was a significant negative correlation between the content of flavonoid glycosides and flavonoid aglycones( P<0. 01).All of these indicated that the color of Scutellariae Radix powder was significantly correlated with content of five flavonoids. The experiment results proved that when color difference between Huangqin pieces and medicinal materials was kept at ΔL*<6,Δb*<3,ΔE*<6,the total amount of the two glycosides in the pieces was about ±1. 5% of the medicinal materials; in this case,the total amount of the two glycosides was relatively high and stable,indicating that the color of Huangqin decoction pieces is a concrete manifestation of its intrinsic quality,and the chromaticity value detected by colorimeter can be used as a means to quickly evaluate the quality of Scutellariae Radix pieces. The results provide a new detection index for the characteristic quality evaluation system of Scutellariae Radix pieces.