Structural and Rheological Properties of Exopolysaccharides Produced by Some Lactic Acid Bacterial Strains Isolated from Palm Wine

Aims: This study evaluated the physical, chemical and rheological properties of exopolysaccharides (EPSs) produced by Lactic Acid Bacteria (LAB) isolated from palm wine. Materials and Methods: EPSs from palm wine LAB strains were produced on 6% sucrose broth, purified and freeze-dried prior to analyses. Molecular weights (MW), rheological and structural composition (functional groups) of the EPSs were determined using standard methods and Fourier transform infrared spectroscopy (FTIR). Results: The average MW of the EPSs ranged from 2.02×106 to 6.53×106 Da while the flow index (n) values ranged from 0.03-3.13 at 0.2%, 0.06-1.51 at 0.4%, 0.38 - 1.85 at 0.6%, 0.14 - 2.26 at 0.8% and 0.55 - 6.42 at 1% concentrations at elevated temperatures for EPS solutions from the ten LAB species. The FTIR spectrum revealed prominent peaks of various groups of OH (3420 cm-1) and CH3 bending (2090 cm-1) in all the EPSs corresponding to both hydroxyl and amine groups, and aliphatic C-H bonds, respectively. EPS synthesized by Leuconostoc lactis, Lactococcus lactis subsp lactis and Lactiplantibacillus plantarum showed weak absorption peaks (1148 – 1145 cm-1) indicating the C-O-C and C-O bonds, while absorption peaks of Lactobacillus lactis, Lactobacillus acidophilus and Lactiplantibacillus plantarum (1267 – 1253 cm-1) indicated O- acetyl ester and other non-sugar components. Conclusions: The FTIR spectra, rheological properties and molecular weight of EPSs synthesized by the ten LAB strains indicated potentials that could be exploited in different industrial applications, and as stabilizers in food industries

Depth of cure, mechanical properties and morphology of dual-cure bulk-Fill composites / Profundidad de curado, propiedades mecánicas y morfología de resinas compuestas duales

This study evaluated selected structural and physical properties, such as degree of conversion (DC), Vickers hardness (VHN), and compression strength (CS), of three new dual-cure bulk-fill resin-based composites (RBCs; ACTIVA, HyperFIL, and Fill-Up) and compared them to those of a conventional RBC (Filtek Z250) at three clinically relevant depths. Samples (n=180) were prepared in three depths (2,4, and 6mm). Fourier-transform infrared spectroscopy (FTIR) analysis and VHN and CS tests were performed. The DC value was calculated by considering the relative change in the aliphatic C=C peaks. The fractured surfaces of representative samples were characterized using scanning electron microscopy (SEM). Data were statistically evaluated using two-way analysis of variance and post hoc Bonferroni tests (p<0.05). According to the VHN results, Filtek Z250 showed the highest bottom/top hardness ratio (97.94±1.01) at 2mm thickness and ACTIVA showed the lowest bottom/top hardness ratio (43.48±5.64) at 6mm thickness (p<0.001). According to the FTIR results, the DC decreased with increasing thickness in all materials (p<0.05). Filtek Z250 showed the highest (301±12.4 MPa) and ACTIVA exhibited the lowest (232±17.2 MPa) CS values at 2mm thickness (p<0.05). The lowest CS values were obtained for ACTIVA, and the highest values were obtained for Filtek Z250 for samples with thicknesses of 4 and 6mm, respectively (p<0.05). The structural features of restorative composites, such as the resin chemistry and filler type and content, and the operational parameters (i.e., material thickness and curing conditions) strongly affect crosslinking reactions and thus the DC, VHN, and CS values.

Este estudio evaluó propiedades físicas y estructurales, como el grado de conversión (DC), la dureza Vickers (VHN) y la resistencia a la compresión (CS), de tres nuevos compósitos a base de resina de curado dual tipo bulk (RBC; ACTIVA , HyperFIL y Fill-Up) y los comparó con los de una resina compuesta convencional (Filtek Z250) en tres profundidades clínicamente relevantes. Se prepararon muestras (n=180) en tres profundidades (2,4 y 6mm). Se realizaron análisis de espectroscopia infrarroja por transformada de Fourier (FTIR) y pruebas VHN y CS. El valor de DC se calculó considerando el cambio relativo en los picos alifáticos C=C. Las superficies fracturadas de muestras representativas se caracterizaron mediante microscopía electrónica de barrido (MEB). Los datos se evaluaron estadísticamente mediante análisis de varianza de dos vías y pruebas post hoc de Bonferroni (p<0,05). De acuerdo con los resultados de VHN, Filtek Z250 mostró la relación de dureza inferior/superior más alta (97,94±1,01) con un espesor de 2mm y ACTIVA mostró la relación de dureza inferior/superior más baja (43,48±5,64) con un espesor de 6mm (p<0,001). De acuerdo con los resultados de FTIR, la DC disminuyó al aumentar el espesor en todos los materiales (p<0,05). Filtek Z250 mostró los valores de CS más altos (301±12,4 MPa) y ACTIVA los más bajos (232±17,2 MPa) a 2mm de espesor (p<0,05). Los valores más bajos de CS se obtuvieron para ACTIVA y los valores más altos para Filtek Z250 para muestras con espesores de 4 y 6mm, respectivamente (p<0,05). Las características estructurales de las resinas compuestas de restauración, como la química; además del tipo y contenido del relleno, y los parámetros operativos (es decir, el espesor del material y las condiciones de curado) afectan en gran medida las reacciones de interacción química y, por lo tanto, los valores de DC, VHN y CS.

Infrared spectral band screening based on partial least squares is used for the quantitative analysis of mannitol-calcium chloride cocrystal / 药学学报

Mannitol-calcium chloride metal organic framework (MOF) cocrystal significantly improved the tabletability of β-mannitol and could be developed as a new tablet filler. However, mannitol monomer was found in the product during the scale-up production of the excipient, which significantly affected the functional properties of the excipient. In this study, we intend to quantify the multi-component eutectic system of mannitol-calcium chloride. In this experiment, the MOF cocrystal excipient mannitol-calcium chloride cocrystal was used as the model compound, and infrared spectrum was collected. Based on partial least squares regression (PLSR) method, the abnormal bands were removed and the spectrum was preprocessed by normalization. The quantitative correction model of mannitol-calcium chloride MOF cocrystal content in cocrystal excipients was established and compared by two different variable screening methods, genetic algorithm (GA) and competitive adaptive reweighting algorithm (CARS). Two different variable screening methods, GA method and CARS method, were used to screen out 160 and 14 variables, respectively. The mannitol-calcium chloride cocrystal model established by CARS-PLSR method had the best performance, and the average relative error (MRE) and corrected root mean square error (RMSEC) of the model were 0.008 8 and 0.892 5, respectively, the determination coefficient (R2) of the model was increased from 0.978 3 to 0.994 4. The quantitative method of eutectic system established in this study has high prediction accuracy, fast detection speed and good stability, which is of great significance for optimizing the preparation process conditions and quality control methods of such eutectic excipients.

Forensic Pathological Diagnosis of Acute and Old Myocardial Infarction Using Fourier Transform Infrared Spectroscopy / 法医学杂志

OBJECTIVES@#Fourier transform infrared spectroscopy (FTIR) was used to analyze myocardial infarction tissues at different stages of pathological change to achieve the forensic pathology diagnosis of acute and old myocardial infarction.@*METHODS@#FTIR spectra data of early ischemic myocardium, necrotic myocardium, and myocardial fibrous tissue in the left ventricular anterior wall of the sudden death group of atherosclerotic heart disease and the myocardium of the normal control group were collected using hematoxylin-eosin (HE) and immunohistochemistry (IHC) staining as a reference, and the data were analyzed using multivariate statistical analysis.@*RESULTS@#The mean normalized spectra of control myocardium, early ischemic myocardium and necrotic myocardium were relatively similar, but the mean second derivative spectra were significantly different. The peak intensity of secondary structure of proteins in early ischemic myocardium was significantly higher than in other types of myocardium, and the peak intensity of the α-helix in necrotic myocardium was the lowest. The peaks of amide Ⅰ and amide Ⅱ in the mean normalized spectra of myocardial fibrous tissue significantly shifted towards higher wave numbers, the peak intensities of amide Ⅱ and amide Ⅲ were higher than those of other types of myocardium, and the peak intensities at 1 338, 1 284, 1 238 and 1 204 cm-1 in the mean second derivative spectra were significantly enhanced. Principal component analysis (PCA) and partial least square-discriminant analysis (PLS-DA) showed that FTIR could distinguish different types of myocardium.@*CONCLUSIONS@#FTIR technique has the potential to diagnose acute and old myocardial infarction, and provides a new basis for the analysis of the causes of sudden cardiac death.

Suckermouth catfish bone extract as bone graft raw material for bone-healing promotes bone growth in bone loss / Extrato de osso de bagre como material de reparo promove o crescimento ósseo em perda óssea

Objective: This study aimed to evaluate the properties of suckermouth catfish bone extract, which allows it to be adopted as a raw material for bone graft following its graft in an artificial defect of a rat model. Material and Methods: Hydroxyapatite (HA) from suckermouth catfish bone extract was characterized using Fourier-transform infrared spectroscopy (FTIR), and its toxicity was evaluated by Brine Shrimp Lethality Test (BSLT). This material was grafted on artificial defects in rats' femoral bones, which were observed immunologically by Enzyme-linked immunosorbent assay (ELISA) after one week and four weeks, and radiographically in the second week, and histologically in the second and fourth weeks. Results: FTIR shows that this material consists of phosphate, hydroxyl, and carbonate groups, while the BSLT results show that this material is not toxic. Observations by ELISA showed an increase in the expression of Tumor necrosis factor alpha (TNF-α) in defects with HA in the fourth week. Radiographically the defect did not show closure in the second week. In contrast, histological analysis showed a better bone healing process in the defect, which was applied with the HA of the suckermouth catfish bone. Conclusion: The HA extracted from the suckermouth catfish bone has beneficial properties as an alternative to bone graft raw material and, more investigated needed to support this biomaterial to be used in the treatment of bone loss (AU)

Objetivo: Avaliar as propriedades do extrato de osso de bagre, que permitem sua adoção como material bruto para enxerto ósseo, em um defeito ósseo artificial em ratos. Material e Métodos: A hidroxiapatita (HA) do extrato de osso de bagre foi caracterizada usando espectroscopia infravermelha por transformada de Fourier (FTIR), e sua toxicidade foi avaliada pelo Teste de Letalidade do Camarão de Sal (BSLT). Esse material foi enxertado em defeitos artificiais nos ossos femorais de ratos. Análise imunológica por meio do ensaio imunoenzimático (ELISA) foi realizada uma e quatro semanas após a colocação dos enxertos. Análises radiográficas foram feitas na segunda semana e histológica na segunda e quarta semanas. Resultados: A FTIR mostrou que esse material é composto por grupos de fosfato, hidroxila e carbonato, enquanto os resultados do BSLT mostraram que esse material não é tóxico. As observações pelo ELISA mostraram um aumento na expressão do fator de necrose tumoral alfa (TNF-α) nos defeitos com HA na quarta semana. Radiograficamente, o defeito não apresentou fechamento na segunda semana. Em contraste, a análise histológica mostrou um melhor processo de cicatrização óssea no defeito que foi aplicado com a HA do osso de bagre. Conclusão: A HA extraída do osso de bagre possui propriedades benéficas como alternativa ao material bruto para enxerto ósseo, sendo necessárias mais investigações para apoiar esse biomaterial a ser usado no tratamento da perda óssea.(AU)

Identification of the New Psychoactive Substance Eutylone / 法医学杂志

OBJECTIVES@#To establish a method to identify unknown sample based on the combined use of Fourier transform infrared spectroscopy (FTIR), gas chromatography-quadrupole time-of-flight mass spectrometry (GC-QTOF-MS), ultra-high performance liquid chromatography-linear ion trap quadrupole-orbitrap mass spectrometry (UPLC-LTQ-Orbitrap MS) and 1H-nuclear magnetic resonance spectroscopy (1H-NMR) technique.@*METHODS@#The unknown sample was directly analyzed by FTIR. The unknown sample was dissolved in methanol solution containing internal standard SKF525A and the supernatant was detected by GC-QTOF-MS and UPLC-LTQ-Orbitrap MS. The unknown sample was dissolved in methanol-d4 solution for structural analysis of 1H-NMR.@*RESULTS@#The characteristic absorption peaks of FTIR spectra obtained from unknown sample were 1 682 (C=O bond), 1 503, 1 488, 1 436, 1 363, 1 256, 1 092, 1 035, 935, 840 and 800 cm-1, the characteristic fragment ions (m/z) of GC-QTOF-MS were 86.096 4 (base peak), 58.065 1, 149.023 5, 121.028 6 and 65.038 6, the accurate mass [M+H]+ detected by UPLC-LTQ-Orbitrap MS was 236.127 7. The sample was identified as synthetic cathinone new psychoactive substance Eutylone by 1H-NMR.@*CONCLUSIONS@#The method established in this study can be used for structural confirmation of Eutylone.

Advances in characterization of pharmaceutical polymorphisms by vibrational spectroscopy / 药学学报

The determination and characterization of solid drug form polymorphisms plays an important role in drug quality control, selection of the production process and clinical efficacy evaluation. Vibrational spectroscopy is a powerful method for the characterization of drug polymorphisms. In this paper we review recent research and application advances in the polymorphic characterization of active pharmaceutical ingredients (APIs) and drug cocrystals/salts by using Fourier transform infrared (FTIR) and Raman spectroscopy to elucidate the characteristics of APIs and drug complexes. This may provide theoretical support for structural analysis during the development process for drugs.

α-Helical protein absorption at post-traumatic epileptic foci monitored by Fourier transform infrared mapping

Tissue analysis by Fourier transform infrared (FTIR) imaging can determine the biodistribution of molecules,without pre-analytical modification. We aimed to study the infrared spectroscopic changes of a-helical proteinsat post-traumatic epileptic (PTE) foci by FTIR. FITR mapping was applied to detect a-helical proteins in ratbrain tissue samples with post-traumatic epilepsy. Histological examination of brain sections showed that therat model of PTE was successfully established. At the PTE foci, high a-helical absorption regions wereevident, where the color difference and absorption were significantly different from those in the low-absorptionregions. This provided a distinctive and characteristic pattern at the site of lesions. The use of FTIR imagingmeans that it is possible to measure the molecular structural changes resulting from PTE pathologies in tissues,providing a novel adjunct to conventional pathological diagnostic techniques.

A comparative study of extraction techniques for maximum recovery of bioactive compounds from Ganoderma lucidum spores / Estudio comparativo de técnicas de extracción para la máxima recuperación de compuestos bioactivos a partir esporas de Ganoderma lucidum

SUMMARY This study aimed at evaluating effective methods for breaking the hard and insoluble spores of Ganoderma lucidum to recover functional biomolecules. Rupture techniques were evaluated such as manual maceration (RM), maceration with spheres of various materials (BR), and microwave exposure plus maceration with steel/ chrome spheres (MBR1). Spore rupture was evaluated using UV-Vis spectroscopy, which showed vibrations of 2955, 1642, 1240, 1080 and 1746 cm-1 corresponding to changes in spore walls. The MBR1 extract contained the largest amounts of carbohydrates (19.80 mg.g-1 spores) and polyphenols (2.21 mg.g-1 spores), whereas the BR extract had higher antioxidant activity (57.22%Inb DPPH). The MBR1 and BR extracts contained 62.2 and 73.5% glucose, respectively. Both methods also involved significant extraction of carbohydrates and proteins. The best way to extract biomolecules from spore walls is to perform a microwave heat treatment and break the walls with steel/chrome spheres; this produces large quantities of carbohydrates with antioxidant properties.

RESUMEN El objetivo de este estudio fue evaluar varios métodos de ruptura de las esporas de Ganoderma lucidum y extraer sus propiedades bioactivas. Para este propósito se evaluaron diferentes técnicas de rompimiento como: la maceración manual (RM), la maceración con esferas de diversos materiales (BR) y la exposición a microondas junto la maceración de las esporas con esferas de acero/cromo (MBR1). La ruptura de las esporas fue evaluada por espectroscopia UV-Vis, la cual mostró que las vibraciones 2955, 1642, 1240, 1080 y 1746 cm-1 correspondieron a cambios estructurales en las paredes de las esporas. El extracto MBR1 presento el mayor contenido de carbohidratos (19,80 mg.g-1) y polifenoles (2,21 mg.g-1), mientras que el extracto BR tuvo una mayor actividad antioxidante (57,22% Inb DPPH). Los extractos MBR1 y BR también presentaron en el análisis de monosacáridos un 62,2 y 73,5% de contenido glucosa. Como conclusión la mejor metodología para extraer biomoléculas de las paredes de las esporas de G. lucidum fueron el tratamiento térmico con microondas y la ruptura de las paredes con esferas de acero/cromo, porque este proceso permitió la extracción de una mayor cantidad de carbohidratos con posibles propiedades antioxidantes.

Characterization of self-assembled bone-like nano-hydroxyapatite/collagen composites / 中国组织工程研究

BACKGROUND: The materials that are similar to natural bone and can be used for repair of bone defects or as tissue engineering material have become the focus of research. OBJECTIVE: To investigate the feasibility of self-assembly of nano-hydroxyapatite collagen composite. METHODS: Collagen was immersed in 0.25% glutaraldehyde solution for 0.5 (group A), 24 (group B) and 72 hours (group C) for cross-linking reaction. In the group D, collagen was immersed in carbodiimide for 4 hours. After cross-linking reaction, collagen in each group was immersed in nano-hydroxyapatite solution for 7 days to prepare bone-like composite materials. The mineral phase analysis, composition, and microstructure of composite materials and natural bone were analyzed. RESULTS AND CONCLUSION: X-ray diffraction analysis: The amorphous diffraction peaks of the composites were slightly higher than those of the natural bone. The amorphous change of the composite was not obvious. With the prolongation of glutaraldehyde cross-linking time, the peak value of the crystal of the composite tended to increase. The amorphous diffraction peaks of the composites crosslinked with carbodiimide were slightly lower than those crosslinked with glutaraldehyde. Fourier transform infrared spectroscopy analysis: The chemical composition of the composites was similar to that of the natural bone, which was composed of collagen and hydroxyapatite, in which PO43-was partly replaced by CO32-ion in hydroxyapatite. Different cross-linking methods had no obvious effects on inorganic phase change of the materials. Scanning electron microscopy: The effects of different collagen cross-linking methods on the morphology of the formed crystals were not significantly different. Collagen fibers intertwined. A large number of fine needle-like crystals deposited on them, clustered, and were uniformly distributed. The crystal was nano-scaled in size. These results suggest that bone-like composite can be self-assessmbled with nano-hydroxyapatite precursor and collagen.

Discrimination of Periplaneta americana and other insectivorous herbs by FTIR spectroscopy combined with chemometrics / 中草药

Objective: To establish a method for the identification of the Periplaneta americana and other insectivorous herbs (Scorpio and Hirudo) based on infrared spectroscopy combined with chemometrics, and to provide a basis for the identification of the P. americana. Methods: Fourier transform infrared spectroscopy was used to collect the infrared spectrum data of three kinds of insect medicine powders. After the second order derivation of the obtained spectral data, the ordinate verticalization method and standardization method were used to optimize the spectrum. The spectral data was further analyzed by chemometrics, such as hierar chicalcluster analysis (HCA), principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). Results: There were differences in the infrared fingerprints of the P. americanas, Scorpios, Leeches. The absorption peaks of the P. americanas at 1 711, 1 410, and 712 cm-1 were obvious. The absorption peaks of the Scorpios at 1 753, 1 400, 1 168, and 717 cm-1 were obvious. The absorption peaks of the Leeches at 1 558, 1 457, 1 400, and 669 cm-1 were obvious, And the leeches have no absorption peak at 1 753-1 711 cm-1. The peak shape of the three insectivorous herbs was significantly different at 1 800-1 700 cm-1. In the second derivative spectrum, the positions of the main peaks are the same, but the intensity of the common peaks is different. Using the HCA analysis method, it was found that the three insectivorous herbs could be quickly distinguished. The PCA and PLS-DA analysis methods were used to find that the three insectivorous herbs were distributed in different regions. Conclusion: Infrared spectroscopy combined with chemometrics can easily and quickly identify the P. americanas and other insectivorous herbs (Scorpios and Leeches), and provide reference for the quality control and evaluation of P. americanas.

Chemical pattern recognition of YuanZhi San capsule based on FTIR and HPLC analysis / 国际药学研究杂志

Objective: To provide a scientific basis for the quality control of YuanZhi San capsule(YZSC). Methods: Fourier transform infrared spectroscopy(FTIR)combined with second derivative spectra was used to analyze the chemical components of YZSC;high performance liquid chromatography(HPLC)was used to establish the fingerprints of different batches of YZSC, the quality assessment of YZSC was carried out by similarity evaluation, cluster analysis(CA), principal component analysis(PCA)and orthogonal partial least squares discriminant analysis(OPLS-DA). Results: The main components of YZSC were carbohydrate, flavonoids, alkaloids, organic acids and saponins. There were 41 common peaks in the fingerprint, seven peaks were identified using reference substance, they were 3, 6'-disinapoylsucrose, ferulic acid, jatrorrhizine hydrochloride, palmatine chloride, berberine, quercetin and β-asarone. The similarity of 10 batches of samples was higher than 0.99. The CA and PCA analysis indicated that there were differences in different batches of YZSC, and they were mainly divided into two categories. By the OPLS-DA, 10 main chemical constituents were found to be the cause of the quality differences in the batches, and the peaks of berberine, 3, 6'-disinapoylsucrose, palmatine chloride, β-asarone, and jatrorrhizine hydrochloride were recognized by comparison with the reference substances. Conclusion: The chemical pattern recognition technology based on the FTIR and HPLC analysis might be used for the quality evaluation of YZSC.

FTIR and SEM of a novel chemical conditioning on the zirconia intaglio surface

Objectives: The aim of this study was to evaluate chemical and topographical changes in the intaglio zirconia surface induced by chemical conditioning solutions using FTIR and SEM analysis. Material and method: twelve plates for each FTIR and SEM tests from each zirconia materials (UPCERA HT White, BruxZir® Solid Zirconia, and Copran® Multilayer), milled by a Yenadent CAD/CAM system, sintered and divided randomly into a three groups. A different surface conditioning was applied to the intaglio surface of each group: 30% hydrogen peroxide, 30% citric acid and control group. Result and discussion: by using of the FTIR spectroscopy, an evidence of new bands formation appeared at 1637cm-1 and 3352cm-1 due to the high oxidizing effect of hydrogen peroxide, and at 630cm-1 and 1663cm-1 due to the chelating action of citric acid, and simultaneously, SEM assessment of the surface topography took place, to identify lines, scratches, or surface dissociation that appeared on the intaglio zirconia surface after conditioning. Conclusion: such analysis provides an enhancement of new convenient, less expensive, reliable trials to improve micro-bond strength of luting cement to Y-TZP ceramics.

Antibacterial activity and effects of aromatic derivatives on denture base polymerization

This study assessed the effect of copolymerization on the microbiota of the oral cavity. The plant extraction was converted into aromatic derivatives, which were added to methyl methacrylate monomer. Fourier transform infrared spectroscopy spectra showed no negative effects of these additives on the polymerization process. All the assayed derivatives displayed some degree of antibacterial activity.

Nutritional, Spectral and Thermal Characteristic of Lamiaceae Seeds

Aims: Species of the family Lamiaceae possess a rich tradition of use for flavoring and medicinal purposes. This paper focusses on the nutritional and thermal characteristics of the seeds from eight species belonging to this family: Gmelina arborea Roxb. ex Sm., Hyptis suaveolens (L.) Poit., Leonotis nepetifolia (L.) R.Br., Ocimum americanum L., Ocimum sanctum L. (Rama Tulsi), Ocimum tenuiflorum L. (Krishna Tulsi), Origanum vulgare L. and Tectona grandis L.f. Methodology: The oil, starch, total polyphenol, flavonoid and mineral contents for aforementioned seeds were determined. Fourier-transform infrared (FTIR) spectroscopy was used to assess the phytoconstituents. Thermogravimetric/derivative thermogravimetric analyses (TG/DTG) and differential scanning calorimetry (DSC) analyses were performed to analyze the decomposition patterns. Results: The concentrations of oil, starch, total polyphenol, flavonoids and minerals for the seeds from the eight plants under study ranged from 11.8 to 50.4%, from 0.22 to 1.84%, from 295 to 5842 mg/kg, from 1660 to 12680 mg/kg and from 11756 to 33927 mg/kg, respectively. Unsaturated oils, polyphenols and lignin were recognized by vibrational spectroscopy. The sequence of thermal effects in the seed pyrolysis process above 100°C have been put in relation to seed protein crystallization (endotherm at 200°C), oxidation reactions and degradation of hemicellulose and other fiber components (at around 300°C), and decomposition of polyunsaturated (at 357°C) and mono-unsaturated (at 391°C) triglycerides. Conclusion: Lamiaceae seeds are potential food alternatives to cereals.

Rapid identification of Paris polyphylla var. yunnanensis and its closely relative species by infrared spectroscopy combined with morphological characteristics / 中草药

Objective: To explore morphology and infrared spectrum identification evidence of Paris polyphylla var. yunnanensis and its closely relative species, and further analyze their genetic relationship to provide basis for the development and utilization of medicinal plant resources of genus Paris. Methods: The morphology and infrared spectrum of P. polyphylla var. yunnanensis and its closely relative species were studied systematically and compared with each other. The original infrared spectra data were pretreated by automatic baseline correction, automatic smoothing, ordinate normalization, and second derivative, and analyzed by principal component analysis (PCA), partial least squares discrimination analysis (PLS-DA), and hierarchical cluster analysis (HCA). Results: There were typical characteristics of P. polyphylla var. yunnanensis and its closely relative species, such as plant size, leaves, veins, sepals, petals, flower pavilions and stamens, which could provide morphological identification evidence. There were obviously differences of the second derivative in 3 000-2 000 cm-1 and the fingerprint in 1 800-500 cm-1 in the six types of genus Paris. Both HCA and PLS-DA could better distinguish Paris polyphylla var. yunnanensis and its closely relative species, which could provide an infrared spectral identified evidence. The Results: of HCA showed that P. polyphylla var. yunnanensis, P. polyphylla var. chinensis, P. polyphylla, P. polyphylla var. stenophylla and P. polyphylla var. nana were relatively close. Conclusion: Fourier transform infrared spectroscopy (FTIR) combined with original plant morphological identification can quickly identify P. polyphylla var. yunnanensis and its closely relative species, which will provide a scientific basis for the cultivation, clinical application, and resource development of genus Paris.

Study on genetic relationship of Swertia mileensis and its related species based on infrared spectroscopy combined with chemometrics / 中草药

Objective: Genetic reationships betwen Swertia mileensis and its relatives have been researched using Fourier transform infrared (FTIR) spectroscopy combined with chemometrics methods in order to provide a theoretical basis for the development and utilization of medicinal plant resources of genus Swertia. Methods: Infrared spectrum information of Swertia mileensis, Swertia cincta, Halenia elliptica, Swertiaion nervosa, Swertia punicea, and Swertia binchuanennsis was collected and used in this study. Original infrared spectra data were pretreated by these methods including automatic baseline correction, automatic smoothing, ordinate normalization, multiplicative scatter correction and second derivative, and analyzed by principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA) and hierarchical cluster analysis (HCA). Results: Absorption area of relationship between Swertia mileensis and its relatives ranged from 900-400 cm-1, 1 310-900 cm-1, 1 500-1 310 cm-1, 1 800-1 500 cm-1, 2 800-3 000 cm-1, and 3 000-3 500 cm-1. Absorption peaks of the second derivative of fingerprint region in 400 to 1 000 cm-1 were distinct, and the absorption peaks as well as peak numbers, intensities and patterns among species were quite different. Analysis of preprocessed IR data showed that PCA analysis of six Swertia species was superior to PLS-DA analysis. The results of HCA analysis showed that Swertia mileensis was closely related to Swertia cincta and Swertia nervosa. Conclusion: FTIR spectroscopy combined with chemometrics method could discriminate different species of genus Swertia and display the closely genetic relationship of Swertia mileensis and its relatives, furthermore, this research would provide a fast and effective method for studying genetic relationship of genus Swertia.

Identification of Salviae Yunnanensis Radix et Rhizoma and Its Allied Species Based on Chemical Composition by FTIR with Chemometric Analysis and HPLC Fingerprint / 中国实验方剂学杂志

Objective:To investigate the differences of chemical constituents of Salviae Yunnanensis Radix et Rhizoma and its closely related species,and to provide reference for the clinical application of Salviae Yunnanensis Radix et Rhizoma. Method:Fourier transform infrared (FTIR) spectroscopy combined with principal component analysis (PCA),cluster analysis (HCA) and partial least squares discriminant analysis (PLS-DA) were used to study the differences of components between Salviae Yunnanensis Radix et Rhizoma and its closely related species,and high performance liquid chromatography (HPLC) was used to compare the differences of water-soluble components between them. Result:There were some differences between Salviae Yunnanensis Radix et Rhizoma and its closely related species acrcording to FTIR spectroscopy and HPLC fingerprint,especially the water-soluble polar components were more abundant in Salviae Yunnanensis Radix et Rhizoma than other species. The chemical components of Salvia trijuga,S. przewalskii and S. bulleyana were more similar in terms of their genetic relationship. The result showed that the Salviae Yunnanensis Radix et Rhizoma and its closely related species can be clearly distinguished by FTIR combined with chemometrics method. Conclusion:Compared with its closely related species,Salviae Yunnanensis Radix et Rhizoma has a unique chemical composition,which has great therapeutic potential for blood stasis. The FTIR combined with chemometrics model can be used for rapid identification of Salviae Yunnanensis Radix et Rhizoma and its closely related species.

Classification and Identification of Cynomorii Herba from Different Producing Areas Based on Fourier Rransform Infrared Spectroscopy and Chemometrics / 中国实验方剂学杂志

Objective: To realize the classification and identification of Cynomorii Herba from different producing areas based on fourier transform infrared spectroscopy (FTIR) and chemometrics. Method: FTIR spectrum data of 106 batches of Cynomorii Herba from 12 cities in 5 provinces were collected by transmission method and preprocessed. The FTIR fingerprints of Cynomorii Herba were established, and spectrum analysis was performed. The FTIR similarities of Cynomorii Herba from different producing areas were calculated by correlation coefficient method. The first derivative (1D) spectrum of average FTIR of Cynomorii Herba from different producing areas were obtained. The soft independent modeling of class analog (SIMCA) model based on principal component analysis (PCA) was established by the preprocessed 1D spectrum data. The orthogonal partial least squares (OPLS) model was established by top 6 principal components. Result: The FTIR fingerprint trend and main absorption peaks of Cynomorii Herba from different producing areas were basically the same,and 16 common characteristic absorption peaks were recognized. Similarity and 1D spectrum of FTIR fingerprint of Cynomorii Herba from different producing areas showed significant and unique characteristics. The established SIMCA model can realize the classification and identification of Cynomorii Herba from different provinces,while OPLS model can realize accurate classification and identification of Cynomorii Herba in different cities. The classification and identification of Cynomorii Herba from 12 city producing areas showed obvious geographical clustering characteristics. Conclusion: The established method based on FTIR and chemometrics can realize the classification and identification of Cynomorii Herba from 12 cities.

Viability Kinetic Profile, Morphological Structure, and Physicochemical Characterization of Candida albicans Biofilm on Latex Silicone Surfaces

Biofilm formed by Candida albicans on latex silicone surfaces was characterized by instrumental techniques such as fluorescence microscopy, scanning electron microscopy, and Fourier transform infrared spectroscopy. The growth and viability of C. albicans on the biofilm formed were described using different kinetic rate equations. C. albicans biofilm has a complex and heterogenous structure with hyphal elements and yeast cells entrenched within a polysaccharide matrix. Spectroscopic studies revealed specific stretching frequencies of O-H, C-O, and C=O which can be attributed to the presence of some functionalities in the biofilm formed by C. albicans. Viability of C. albicans behaved in accordance with the first-order kinetic equation on the first 48 h, then shifted to a second-order kinetic equation until the 72 h, and had a doubling time of 70 h. Information on model biofilms with emphasis on growth rates and morphogenesis, structural organization, and physicochemical characteristics can possibly explain resistance to some antifungal treatments and subsequent synthesis of newer generation drugs for fungal biofilm-related infections.