Effect of experimental bleaching gels with polymers Natrosol and Aristoflex on the enamel surface properties

Abstract Natrosol and Aristoflex® AVC polymers are widely applied in the cosmetic industry and have recently been applied as a thickener option in the composition of dental bleaching gels, with the purpose to reduce the adverse effects on enamel mineral components. The aim of this study was to evaluate the color variation (ΔE* ab, ΔE00, ∆WID), surface roughness (Ra), and mineral content quantification (Raman Spectroscopy) of dental enamel after bleaching treatment with experimental gel-based on 10% carbamide peroxide (CP), containing Carbopol, Natrosol, and Aristoflex® AVC. Sixty bovine teeth were randomly divided into 6 groups (n=10): Negative Control (NC) - no treatment; Positive Control (PC) - Whiteness Perfect 10% - FGM; CP with Carbopol (CPc); CP with Natrosol (CPn); CP with Aristoflex® AVC (CPa); NCP - no thickener. Data were analyzed, and generalized linear models (∆WID -T0 x T1) were used for repeated measurements in time for Ra and with a study factor for ΔE* ab and ΔE00. For the evaluation of the mineral content, data were submitted to one-way ANOVA and Tukey tests. For enamel topographic surface analysis the Scanning Electron Microscope (SEM) was performed. A significance level of 5% was considered. ΔE* ab and ΔE00 were significantly higher for CPc, CPn, CPa, and NCP groups. (∆WID) showed a significantly lower mean than the other groups for NC in T1. After bleaching (4-hour daily application for 14 days), Ra was higher in the CPc, CPn, and PC groups. For CPa, Ra was not altered. No significant difference was found in the quantification of mineral content. CPa preserved the surface smoothness more effectively. Aristoflex® AVC is a viable option for application as a thickener in dental bleaching gels, presenting satisfactory performance, and maintaining the whitening efficacy of the gel, with the advantage of preserving the surface roughness of tooth enamel without significant loss of mineral content.

Resumo Os polímeros Natrosol e Aristoflex® AVC são amplamente utilizados na indústria cosmética e foram recentemente aplicados como uma opção de espessante na composição de géis de clareamento dental, com o objetivo de reduzir os efeitos adversos sobre os componentes minerais do esmalte. O objetivo deste estudo foi avaliar a variação de cor (ΔE*ab, ΔE00, ∆WID), rugosidade da superfície (Ra), e quantificação do conteúdo mineral (Raman Spectroscopy) do esmalte dentário após clareamento dental com gel experimental baseado em 10% de peróxido de carbamida (CP), contendo Carbopol, Natrosol e Aristoflex® AVC. Sessenta dentes bovinos foram divididos aleatoriamente em 6 grupos (n=10): Controle Negativo (CN) - sem tratamento; Controle Positivo (CP) - Brancura Perfeita 10% - FGM; CP com Carbopol (CPc); CP com Natrosol (CPn); CP com Aristoflex® AVC (CPa); NCP - sem espessante. Os dados foram analisados e modelos lineares generalizados (∆WID -T0 x T1) foram usados para medições repetidas no tempo para Ra e com um fator de estudo para ΔE*ab e ΔE00. Para a avaliação do conteúdo mineral, os dados foram submetidos a testes unidirecionais de ANOVA e Tukey. Para a análise da superfície topográfica do esmalte, o Microscópio Eletrônico de Varredura (SEM) foi realizado. Um nível de significância de 5% foi considerado. ΔE*ab e ΔE00 foram significativamente maiores para os grupos CPc, CPn, CPa e NCP. (∆WID) mostrou uma média significativamente menor do que os outros grupos para NC em T1. Após o clareamento (aplicação diária de 4 horas por 14 dias), Ra foi maior nos grupos CPc, CPn e PC. Para CPa, Ra não foi alterado. Nenhuma diferença significativa foi encontrada na quantificação do conteúdo mineral. O CPa preservou a suavidade da superfície de forma mais eficaz. Aristoflex® AVC é uma opção viável para aplicação como espessante em géis de clareamento dental, apresentando desempenho satisfatório e mantendo a eficácia clareadora do gel, com a vantagem de preservar a rugosidade da superfície do esmalte dentário sem perda significativa de conteúdo mineral.

Real-time SERS monitoring anticancer drug release along with SERS/MR imaging for pH-sensitive chemo-phototherapy

In situ and real-time monitoring of responsive drug release is critical for the assessment of pharmacodynamics in chemotherapy. In this study, a novel pH-responsive nanosystem is proposed for real-time monitoring of drug release and chemo-phototherapy by surface-enhanced Raman spectroscopy (SERS). The Fe3O4@Au@Ag nanoparticles (NPs) deposited graphene oxide (GO) nanocomposites with a high SERS activity and stability are synthesized and labeled with a Raman reporter 4-mercaptophenylboronic acid (4-MPBA) to form SERS probes (GO-Fe3O4@Au@Ag-MPBA). Furthermore, doxorubicin (DOX) is attached to SERS probes through a pH-responsive linker boronic ester (GO-Fe3O4@Au@Ag-MPBA-DOX), accompanying the 4-MPBA signal change in SERS. After the entry into tumor, the breakage of boronic ester in the acidic environment gives rise to the release of DOX and the recovery of 4-MPBA SERS signal. Thus, the DOX dynamic release can be monitored by the real-time changes of 4-MPBA SERS spectra. Additionally, the strong T2 magnetic resonance (MR) signal and NIR photothermal transduction efficiency of the nanocomposites make it available for MR imaging and photothermal therapy (PTT). Altogether, this GO-Fe3O4@Au@Ag-MPBA-DOX can simultaneously fulfill the synergistic combination of cancer cell targeting, pH-sensitive drug release, SERS-traceable detection and MR imaging, endowing it great potential for SERS/MR imaging-guided efficient chemo-phototherapy on cancer treatment.

Raman Spectroscopy of six explanted acrylic hydrophobic foldable intraocular lenses with glistening

Purpose: To study and interpret Raman spectra of six explanted acrylic hydrophobic foldable intraocular lenses (HFIOLs) with grade six microvacuoles and to understand the possible mechanism for microvacuole formation. Methods: Clinical data, slit-lamp photographs, and optical microphotographs of the explanted analytes were obtained. RS of the analytes were registered using a confocal Raman microscope (Lab RAM HR Evolution, Horiba Jobin Yvon) and Horiba Lab Space 6 Spectroscopy Suite software. Data were interpreted by identifying the functional group and fingerprint region of the spectra about the available literature. Results: IOLs were explanted for visual impairment after an average interval of 11.2 years following implantation. Each of the HFIOLs exhibited distinctive and identical Raman bands at the frequency range of 200–1,800, 2,600–3,000, and 3,200–3,700 cm?1 which were identified with those reported in the literature. The unique bands and peaks of the spectra were specific to the functional groups, its ring and other stretching variations, hydroxyl group, and water molecule. A spike at 1,640 cm?1 revealed the presence of monomer and indicated material bioincompatibility of the samples. Conclusion: Raman spectroscopy (RS) was found specific and an effective tool to detect the material change in the HFIOL and constituents of polymer biomaterial about microvacuole formation and also suggested modification and development of a more biocompatible and non-biodegradable polymer blend where RS could be a monitoring tool.

Investigation of the API distribution homogeneity in lyophilized product-pemetrexed disodium for injection by confocal micro-Raman spectroscopy mapping / 药学学报

The method of homogeneity evaluation for active pharmaceutical ingredient (API) spatial distribution in lyophilized product was investigated for the first time with confocal micro-Raman spectroscopy mapping, using pemetrexed disodium for injection as a model drug. Certain areas of the lyophilized product were scanned to obtain Raman spectra. The classical method ("peak clipping" method) was employed for mapping with characteristic Raman peaks of the API and the excipient. Due to the API being finely dispersed in the excipient in lyophilized products, the classical method cannot discriminate between the two ingredients making the distribution homogeneity difficult to evaluate. The "ratio of characteristic peak intensities" method was then utilized. Using this method, the relative intensity of the characteristic Raman peaks of the API to the excipient was applied for mapping and the relative content of API to excipient was calculated for a homogeneity evaluation of the drug distribution. The validation of this method showed a good linear relationship between the relative intensity and the relative content of API to excipient (r2 > 0.99), and the precision and recovery were adequate for homogeneity evaluation of API by Raman spectroscopy mapping. Five products of pemetrexed disodium for injection from different manufacturers were tested through Raman maps applying this method and the histograms of relative Raman intensity were also plotted by frequency to help the homogeneity evaluation of drug distribution. The results showed that there were obvious differences in the drug distribution homogeneity from different products, where a more homogeneous API distribution was found in the brand product. This research provides a reliable method for the homogeneity evaluation of API distribution, which facilitates quality evaluation and process optimization of lyophilized products.

Overview of surface-enhanced Raman spectroscopy in combination with other detection techniques / 药学实践杂志

As an increasingly mature analytical technique, surface-enhanced Raman spectroscopy has the ability to identify, detect, and even quantitatively measure many single substances in nature. However, in the actual sample analysis, the tested samples were often a mixed system of various substances, and it was impossible to accurately characterize the components of the mixed system only by relying on SERS technology. Therefore, SERS combined with other techniques to accurately determine the measured substances has become an inevitable trend. Through the combination, the deficiency of SERS in detection and characterization was improved, and the purpose of efficient, sensitive and accurate determination of substances to be measured was achieved.

Characterization of sound enamel and natural white spot lesions / Caracterização de esmalte hígido e lesões de mancha branca naturais

Objective: To compare optical, morphological, chemical, and physical aspects of the sound enamel and white spot lesions (WSL) classified as ICDAS 2. Material and Methods: Seventeen human molars with one surface presenting WSL and a sound surface (2 x 2 mm window) were characterized by Quantitative light-induced fluorescence (QLF ®), Optical coherence tomography (OCT), microhardness, and Raman spectroscopy. The ANOVA and Tukey's test were used at 5% significance level. Results: The QLF comparison between distinct substrates yielded decreased ∆Q (integrated fluorescence loss) of -15,37%mm2 and -11,68% ∆F (fluorescence loss) for WSL. The OCT detected mean lesion depth of 174,43 µm. ANOVA could not detect differences in the optical attenuation coefficient between the substrates (p>0.05). Lower microhardness measures were observed in WSL than on sound enamel (p<0.05). The Raman spectra showed four vibrational phosphate bands (v1, v2, v3, v4), where the highest peak was at 960.3 cm-1(v1) for both substrates. However, a 40% decrease in phosphate (v1) was detected in WSL. The peak at 1071 cm-1 was higher for sound enamel, indicating the presence of a phosphate band instead of the B-type carbonate. The spectra showed higher intensity of the organic composition at 1295 cm-1 and 1450 cm -1 for WSL. Conclusion: Non-invasive QLF, OCT and Raman spectroscopy were able to distinguish differences in fluorescence, optical properties, and organic/inorganic components, respectively, between sound enamel and WSL, validated by the destructive microhardness analysis. (AU)

Objetivo: Comparar os aspectos ópticos, morfológicos, químicos e físicos do esmalte sadio e das lesões de mancha branca naturais, classificada como ICDAS 2. Material e métodos: Dezessete molares humanos com uma face apresentando uma lesão de mancha branca natural e outra face o esmalte hígido (2 x 2 mm) foram caracterizados utilizando a Fluorescência quantitativa induzida pela luz (QLF ®), Tomografia de coerência óptica (OCT), Microdureza e Espectroscopia Raman. A ANOVA e o teste de Tukey foram utilizados ao nível de significância de 5%. Resultados: A comparação entre os substratos distintos, utilizando o QLF ® demonstrou uma diminuição no ∆Q (perda de fluorescência integrada) de -15,37%mm2 e -11,68% de ∆F (Perda de fluorescência) para a lesão de mancha branca. O OCT detectou uma profundidade média de lesão de 174,43µm. A ANOVA não detectou diferenças no coeficiente de atenuação óptica entre os substratos (>0,05). Microdureza significantemente menor foi detectada nas lesões de mancha branca do que no esmalte sadio (p<0,05). Os espectros Raman mostraram quatro bandas vibracionais do fosfato (v1,v2,v3,v4), onde o maior pico foi em 960,3cm-1para ambos os substratos. No entanto, uma diminuição de 40% no fosfato (v1) foi detectada na lesão. O pico em 1071cm-1foi maior para o esmalte hígido, demonstrando tratar-se da banda do fosfato, ao invés do carbonato tipo B. Os espectros apresentaram maior intensidade da composição orgânica em 1295cm-1e 1450 cm-1para a lesão de mancha branca. Conclusão:Os métodos não invasivos QLF, OCT e espectroscopia Raman foram capazes dediferenciar a fluorescência, propriedades ópticas e conteúdo orgânico/inorgânico do esmalte sadio comparado com esmalte com lesões de mancha branca, sendo validado pela análise de microdureza. (AU)

Analysis of changes in neoadjuvant chemotherapy for breast cancer based on Raman spectroscopy / 中华内分泌外科杂志

Objective:To explore the relationship between the changes of serum components in breast cancer after neoadjuvant chemotherapy and the efficacy of chemotherapy based on Raman spectroscopy.Methods:Raman spectra of serum samples from 110 breast cancer patients who received neoadjuvant chemotherapy and 15 healthy subjects admitted to the Department of Breast and Thyroid Surgery of the Affiliated Tumor Hospital of Xinjiang Medical University from Feb. 2013 to Jan. 2020 were detected, and PCA-LDA method was combined to predict the efficacy of neoadjuvant chemotherapy.Results:Raman spectra of breast cancer patients after neoadjuvant chemotherapy were similar to those of normal breast, with carotenoid peaks (1513 cm -1, 1518 cm -1) . Raman spectra combined with PCA-LDA showed high sensitivity and specificity (80.0%, 71.4%) in evaluating the efficacy of neoadjuvant chemotherapy for breast cancer. Conclusion:Raman spectroscopy combined with multivariate data analysis can be used as a new method to evaluate the efficacy of neoadjuvant chemotherapy for breast cancer and a new strategy to guide subsequent treatment regiments.

Research progress on the methods of observation and analysis of dental bonding interfaces / 口腔疾病防治

@#Dental bonding technology and materials have been used widely in dentistry because of their excellent properties. The development of novel bonding technology and materials is constantly being performed to improve the effect of dental bonding restorations. Observation and analysis of the dental bonding interface is one of the most important methods for laboratory evaluation of bonding efficiency. This paper aims to review the methods of observation and analysis of dental bonding interfaces to provide a reference for the selection of evaluation methods in dental bonding research. The features of 6 methods, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), confocal laser scanning microscopy (CLSM), Raman spectroscopy (RS), optical coherence tomography (OCT) and atomic force microscopy (AFM), were described and summarized. Among these methods, SEM and TEM are used most often in the analysis of fine structures; CLSM and OCT are used for the acquisition of characteristic image signals, such as microleakage and exogenous and endogenous fluorescence; and RS and AFM can test chemical composition and mechanical properties.

Effect of combining photoinitiators on cure efficiency of dental resin-based composites

Abstract Camphorquinone is the most conventionally used photoinitiator in Dentistry. Although different alternative photoinitiators have been proposed, no photoinitiator was capable of completely substituting camphorquinone. The combination of photoinitiators has been considered the best alternative. Objectives: To evaluate the effect of combining Norrish type I and II photoinitiators on the cure efficiency of dental resin-based composites. Methodology: Experimental composites were produced containing different photoinitiator systems: Norrish type I-only, mono-alkyl phosphine oxide (TPO); Norrish type II-only, camphorquinone (CQ); or its combination, CQ and TPO, in a 1: 1 molar ratio. UV-vis absorption spectrophotometry was performed to assess the consumption of each photoinitiator after curing (n=3). A multi-wave LED (Bluephase® G2, Ivoclar Vivadent) was pre-characterized and used with a radiant exposure of 24 J/cm2. The degree of conversion was evaluated by Raman spectrometry, and the elution of the monomers by nuclear magnetic resonance analysis (n=3). Data were analyzed using ANOVA and Tukey's test (α=0.05; β=0.2). Results: The combination of CQ and TPO increased the consumption of the photoinitiator system compared to CQ-only (p=0.001), but presented similar consumption compared to TPO-only (p=0.52). There was no significant difference in the degree of conversion between the composites regardless of the photoinitiator system (p=0.81). However, the elution of the monomers was reduced when both photoinitiators were combined. TPO-based material presented the highest elution of monomers. Conclusions: The combination of the photoinitiator systems seems to be beneficial for the cure efficiency of dental resin-based composites.

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.

Does the addition of vitamin E to conventional UHMWPE improve the wear performance of hip acetabular cups? Micro-Raman characterization of differently processed polyethylene acetabular cups worn on a hip joint simulator

In knee replacements, vitamin E-doped ultra-high molecular weight polyethylene (UHMWPE) shows a better wear behavior than standard UHMWPE. Therefore, different sets of polyethylene (PE) acetabular cups, i.e. standard UHMWPE and cross-linked polyethylene irradiated with 50 kGy and 75 kGy, were compared, at a molecular level, with vitamin E-doped UHMWPE to evaluate their wear performance after being tested on a hip joint simulator for five million cycles. Unworn control and worn acetabular cups were analyzed by micro-Raman spectroscopy to gain insight into the effects of wear on the microstructure and phase composition of PE. Macroscopic wear was evaluated through mass loss measurements. The data showed that the samples could be divided into two groups: 1) standard and vitamin E-doped cups (mass loss of about 100 mg) and 2) the cross-linked cups (mass loss of about 30-40 mg). Micro-Raman spectroscopy disclosed different wear mechanisms in the four sets of acetabular cups, which were related to surface topography data. The vitamin E-doped samples did not show a better wear behavior than the cross-linked ones in terms of either mass loss or morphology changes. However, they showed lower variation at the morphological level (lower changes in phase composition) than the UHMWPE cups, thus confirming a certain protecting role of vitamin E against microstructural changes induced by wear testing.

Evaluation of microleakage and the degree of conversion of three composite resins polymerized at different power densities / Avaliação da microinfiltração e do grau de conversão de três resinas compostas polimerizadas em diferentes densidades de potência

Objectives: This study aims to evaluate the degree of conversion (DC) and microlekage scores of three different composite resins polymerized with a LED curing device in standard and extra-power mode. Material and Methods: One bulk-fill (Tetric EvoCeram Bulk-Fill ­ TECBF) and two conventional composite materials (Clearfil Majesty Posterior ­ CMP and Tetric EvoCeram ­ TEC) were evaluated. A total of 30 specimens were prepared for six groups (N = 5). These groups were polymerized with a LED curing device as follows: TECBF-6: 3200mW/cm2 for six seconds, TECBF-20: 1000mW/cm2 for 20 seconds, CMP-6: 3200mW/cm2 for six seconds, CMP-20: 1000mW/cm2 for 20 seconds, TEC-6: 3200mW/cm2 for six seconds, TEC - 20: 1000 mW/cm2 for 20 seconds. After 24 hours of water storage, DC was measured by Raman spectroscopy. Microleakage scores of the six groups were bonded to various adhesive systems (Clearfil SE Bond or Adhese Bond Universal) were also evaluated at Class II box cavities (N = 10). Results: While the highest DC was found at the top (TECBF-20= 79.92% and TECBF-6= 79.02%) and bottom surfaces (TECBF-20 = 68.94% and TECBF-6= 71.04%) for TECBF groups, TEC groups (TEC-20top = 59.06%, TEC-6top=49.66%, TEC-20bottom = 43.72% and TEC-6bottom= 40.68%) showed the lowest DC for the both surfaces (p < 0.05). Polymerization of materials in standard or extra-power mode was similar to DC (p > 0.05). Microleakage scores were found to be similar (p > 0.05). Conclusion: According to the results of the study, different power densities of LED curing light did not affect the DC of composite resins and microleakage values of restorations at small Class II cavities (AU)

Objetivo: este estudo tem como objetivo avaliar os graus de conversão (DC) e microinfiltração de três diferentes resinas compostas polimerizáveis com um dispositivo de luz por LED nos modos padrão e no modo de alta-potência. Material e métodos: uma resina bulk-fill (Tetric EvoCeram Bulk-Fill - TECBF) e dois materiais resinosos convencionais (Clearfil Majesty Posterior - CMP e Tetric EvoCeram - TEC) foram avaliados. Um total de 30 espécimes foram preparados e divididos em seis grupos (N = 5). Esses grupos foram polimerizados com um dispositivo de luz de LED da seguinte forma: TECBF-6: 3200mW / cm2 por seis segundos, TECBF-20: 1000mW / cm2 por 20 segundos, CMP-6: 3200mW / cm2 por seis segundos, CMP20: 1000mW / cm2 por 20 segundos, TEC-6: 3200mW / cm2 por seis segundos, TEC - 20: 1000 mW / cm2 por 20 segundos. Após 24 horas de armazenamento em água, a DC foi medida por espectroscopia Raman. Os escores de microinfiltração dos seis grupos dos vários sistemas adesivos (Clearfil SE Bond ou Adhese Bond Universal) também foram avaliados nas cavidades Classe II (N = 10). Resultados: embora a maior CD tenha sido encontrada nas partes superior (TECBF-20 = 79,92% e TECBF-6 = 79,02%) e inferiores (TECBF-20 = 68,94% e TECBF-6 = 71,04%) para grupos TECBF, os grupos TEC (TEC-20top = 59,06%, TEC-6top = 49,66%, TEC-20bottom = 43,72% e TEC-6bottom = 40,68%) apresentaram as menores CD para as ambas as partes (p < 0,05). A polimerização de materiais no modo padrão ou alta-potência foi semelhante à DC (p > 0,05). Os escores de microinfiltração foram semelhantes (p > 0,05). Conclusão: de acordo com os resultados do estudo, diferentes densidades de potência da luz de LED não afetaram as CD das resinas compostas e os valores de microinfiltração das restaurações em pequenas cavidades da Classe II. (AU)

Identification of structural analogues xanthine, theophylline and theobromine by surface-enhanced Raman spectroscopy / 药学实践杂志

Objective To distinguish the structural analogues xanthine, theophylline and theobromine by surface-enhanced Raman spectroscopy. Methods Concentrated silver colloid enhancement reagent was prepared as the Raman substrate to increase the number of "hot spots" per unit area, improve the sensitivity of surface-enhanced Raman spectroscopy, enhance the signal strength of the samples and achieve the effective discrimination of structural analogues. Meanwhile, the feasibility of surface-enhanced Raman spectroscopy in practical application was verified by determining serum samples of three mixtures. Results The concentrated silver colloid greatly increased the Raman intensity of the three structural analogues. The spectra of each individual compound and the mixture in the serum system was obtained. The detection limit of the three substances in aqueous solution were 0.005, 0.01 and 0.005 μmol/L respectively. Conclusion Surface-enhanced Raman spectroscopy is a potent technique for distinguishing structural analogues. It is rapid, sensitive and nondestructive to samples. Hence, it can be widely used in the fields of detection, analysis, clinical treatment and diagnosis.

Análise comparativa de Ibuprofeno em diferentes formulações farmacêuticas através da espectroscopia Raman / Comparative analysis of Ibuprofen in different pharmaceutical formulations by Raman spectroscopy

Objetivo ­ Avaliar o uso da espectroscopia Raman como possível instrumento para a detecção do Ibuprofeno em diferentes formulações farmacêuticas a fim de se propor uma metodologia a ser utilizada em processos de controle de qualidade na produção destes medicamentos. Métodos ­ 05 amostras de cada grupo do medicamento (referência, genérico e similar) concentrado em 100 mg/dL, foram submetidas a espectroscopia Raman (espectrômetro dispersivo com 830 nm e 300 mW de excitação acoplado a um cabo de fibras ópticas Raman probe) e as aquisições foram replicadas 10 vezes de 3 segundos, com exposição total de 30 s para a coleta de cada espectro. Resultados ­ Ao se comparar o medicamento similar com o de referência, percebem-se picos mais elevados e largos no similar, principalmente nos deslocamentos de 510, 660 e 884 cm­1. Já os espectros dos medicamentos de referência e genérico mostraram-se mais semelhantes entre si. Conclusão ­ As três apresentações comerciais contêm o princípio ativo Ibuprofeno, porém os picos em diferentes intensidades sugerem diferentes concentrações nas formulações avaliadas.

Objective ­ To evaluate the use of Raman spectroscopy as a possible instrument for the detection of ibuprofen in different pharmaceutical formulations in order to propose a methodology to be used in quality control processes in the production of these drugs. Methods ­ 05 samples from each drug group (reference, 100 mg / dL, were subjected to Raman spectroscopy (830 nm dispersive spectrometer and 300 mW excitation coupled to a Raman probe fiber optic cable) and acquisitions replicated 10 times 3 seconds with exposure 30 s total for the collection of each spectrum. Results ­ When comparing the similar drug with the reference drug, higher and broader peaks in the similar one can be noticed, especially in the displacements of 510, 660 and 884 cm­1. Already the spectra of reference and generic drugs were more similar to each other. Conclusion ­ The three commercial presentations contain the active ingredient Ibuprofen, but the peaks at different intensities suggest different concentrations in the formulations evaluated.

Chemometrics Assisted Raman Spectroscopy: A Non-Invasive Approach in Diagnosis and Monitoring of Colorectal Cancer

Objective: Colorectal cancer is a commonly encountered cancer worldwide about 1.4 million new cases diagnosed and 693,900 deaths occurred per year. Colorectal cancer could be stopped and highly curable if diagnosed early. In this proposed study, the main goal is to develop accurate, sensitive and rapid Raman spectroscopy method in colorectal cancer diagnosis of formalin-fixed paraffin embedded tissue samples. Methods: In the proposed method, samples were deparaffinized and prepared as 20 microns of dimension that was located on a coverslip. The instrument produces a continuum laser at 785 nm that were applied to both healthy and cancer tissues. Wavenumber of 50-1800 cm-1 was scanned to get information about the metabolic variation in each group. Results: Accuracy of the method was calculated by comparing the results regarding the histopathological evaluation. Healthy and cancer tissues formed two unique clusters via chemometrics algorithm. The rapid, easy and precise diagnosis was achieved for colorectal cancer diagnosis. By this method, some beneficial information regarding the variation in several metabolites was also obtained from the spectrum. Conclusion: It is reported that the optimized method represents an important opportunity for clustering and separating cancer tissues from healthy ones. This novel, rapid, precise and numerical approach may be an effective alternative for the conventional methods.

Detection of key female fertility evaluation indicators estradiol, anti-Müllerian hormone and antral follicle count by Raman spectroscopy / 第二军医大学学报

Objective: To explore the surface-enhanced Raman spectroscopy (SERS) difference of key female fertility indicators, estradiol (E2), anti-Müllerian hormone (AMH) and antral follicle count (AFC) in serum samples of healthy and infertile women, and the possibility of their application in preliminary screening of clinical female fertility. Methods: A total of 236 serum samples of healthy and infertile women of childbearing age were collected from Reproductive Medical Center of the First Affliated Hospital with Nanjing Medical University. The ages of all subjects ranged from 22 to 49 years old, with an average age of (30.8 ± 5.1) years old. The samples were divided into high E2 value group (>5 000 pmol/L, 78 cases) and low E2 value group ( 14, 68 cases) and low AFC value group (<7, 34 cases). Serum SERS analysis was established and Raman spectra of each group were detected. Orthogonal partial least squares discriminant analysis (OPLS-DA), receiver operating characteristic (ROC) curve and permutation test were used to analyze the signals. Results: The Raman spectrum morphology of serum samples was similar between high and low E2 value groups, high and low AMH value groups, and high and low AFC value groups, but the spectral peak intensity of the three indicators was different between the high and low value groups. In the OPLS-DA model, there was an obvious clustering trend in E2, AMH and AFC between the high and low value groups, and the areas under ROC curve were 0.996 and 0.996, 0.995 and 0.995, and 1 and 1 in high and low E2 value groups, high and low AMH value groups, and high and low AFC value groups, respectively. Conclusion: SERS has a potential to be used in the primary screening of female fertility. Serum SERS profle as an auxiliary method for early diagnosis of infertility is worthy of further study.

Muscle strength training is better than the use of growth hormone (GH) in bone health of Wistar rats / Entrenamiento de la fuerza muscular es mejor que el uso de la hormona del crecimiento (GH) en salud ósea del ratas Wistar

SUMMARY: The objective of this study was to evaluate the effects of growth hormone (GH) and muscle strength training (ST) on the composition of bone tissue of Wistar rats through Raman spectroscopy. In total, 40 male rats were randomly distributed into four groups: (N = 10) control (C), control with the application of GH (GHC), strength training (T), and strength training with the application of GH (GHT). The training consisted of four series of 10 water jumps, performed three times a week, with an overload corresponding to 50 % of body weight and duration of four weeks. GH was applied at a dose of 0.2 IU / kg in each animal three times a week and every other day. After four weeks, the animals were euthanized and the right femurs collected for analysis of the bone structure. Raman spectroscopy (ER) was used to observe the following compounds from their respective bands: Calcium Carbonate-Triglycerides (fatty acids) 1073 cm-1, Collagen type I 509 cm-1, Bone-DNA Phosphate (Protein) 589 cm-1, Phosphate Phospholipids 1078 cm-1. For the statistical analysis, the Shapiro-Wilk and ANOVA One-Way variance analysis normality tests were performed, followed by the Tukey post-test. The results showed an increase in the concentrations of calcium carbonate-triglycerides (fatty acids), type I collagen, bone phosphate-DNA (protein), and phosphate phospholipids in all experimental groups, with or without ST and/or GH , But only the isolated training group differed significantly from the control group (P <0.05). It was concluded that all treatments could promote bone tissue gain, however, only the T group demonstrated a significant difference in the mineral compounds analyzed.

RESUMEN: El objetivo del estudio fue avaluar el efecto de la aplicación de la hormona del crecimiento (GH) y entrenamiento de la fuerza muscular (EF) en la composición del tejido óseo de ratas Wistar a partir de la espectroscopía Raman. Fueron utilizadas 40 ratas machos distribuidas de forma aleatoria en cuatro grupos (n=10): control (C), control y aplicación de GH (GHC), entrenamiento de la fuerza muscular (EF) y entrenamiento de la fuerza muscular y aplicación del GH (GHE). El entrenamiento fue consistió en cuatro series de 10 saltos acuáticos, realizados tres veces en la semana, con sobrecarga correspondiente a 50 % de la masa corporal y durante cuatro semanas. El GH fue aplicado en la dosificación de 0,2 UI/kg en cada animal, tres veces en la semana y en días alternados. Después de cuatro semanas, los animales fueran eutanasiados y retirados los fémures derechos para un análisis de la estructura ósea. La espectroscopía Raman fue utilizada para observar los siguientes compuestos a partir de las respectivas bandas: Carbonato de Calcio-Triglicéridos (ácidos grasos) 1073 cm-1, Colágeno Tipo I 509 cm-1, Fosfato Óseo-DNA (Proteína) 589 cm1, Fosfato Fosfolípidos 1078 cm-1. Para el análisis estadístico, fueron realizadas las pruebas Shapiro-Wilk y el análisis de variancia ANOVA One-Way, seguida de test post hoc de Tukey. Los resultados revelaran aumento de la concentración de Carbonato de Calcio-Triglicéridos (ácidos grasos), Colágeno Tipo I, Fosfato Óseo- DNA (Proteína), Fosfato Fosfolípidos en todos los grupos experimentales, asociados o no a la realización del EF y/o aplicación del GH. Además, solamente el grupo EF mostró diferencia significativa del grupo C (p<0,05). Es posible concluir que todos los tratamientos mostraran aumentos en el tejido óseo, sin embargo, solamente el grupo T demostró una diferencia significativa en los compuestos minerales analizados.

Structure of the Conjugated Linoleic Acid-Paclitaxel Conjugate Self-Assembled Nanoparticles / 中国药学杂志

OBJECTIVE: To prepare, the conjugated linoleic acid-paclitaxel conjugate self-assembled nanoparticles (CLA-PTX NPs) by nanoprecipitation. METHODS: The Dynamic light scattering, nuclear magnetic resonance spectroscopy, raman spectroscopy, fourier transform infrared spectroscopy and nitrogen element distribution of CLA-PTX NPs were studied. RESULTS: The hydroxyl groups (C-4 and C-10 of PTX) and the acetyl groups (C-1 and C-7 of PTX) were on the surface of CLA-PTX NPs, CLA carbon chain, the benzene ring (C-2 and C-3' of PTX) and the amide bond (C-3' of PTX) were inside the CLA-PTX NPs. CONCLUSION: It is speculated that the self-assembly of CLA-PTX is that the non-polar CLA carbon chain spontaneously aggregates inward due to hydrophobic interaction, and the hydrophilic oxygen-containing groups of PTX (hydroxyl group and carbonyl group) are on the surface of the nanoparticle to form nanoparticles.

Application Progress of Raman Spectroscopy in the Study of Drug Polymorphism / 医药导报

Different polymorphs of drugs have different molecular arrangements or molecular forces. Raman spectroscopy can reflect the change of molecular polarizability and can be used for the detection of drug polymorphs. The technology has been recorded for the analysis of polymorphism in European Pharmacacopoeia, British Pharamacopoeia and Chinese pharmacopoeia. This review focuses on the application of Raman spectroscopy in the study of pharmaceutical polymorphism. The advances in Raman spectroscopy in the qualitative, quantitative and dynamic processes of drug polymorphism are summarized and analyzed systematically, aiming to provide reference for researchers in related fields.

XPS of carbon nanostructures obtained by underwater arc discharge of graphite electrodes / XPS de nanoestructuras de carbono obtenidas por descarga de arco de electrodos de grafito sumergidos en agua

Abstract Carbon nanostructures, obtained by underwater arc discharge of graphite electrodes, were studied by X-Ray Photoelectron Spectroscopy (XPS). It was observed that the spectra of the samples taken from the floating part of the synthesis products, composed basically by Carbon nano-onions (CNO), present differences with those obtained from the precipitate, which contains a mixture of CNOs and multi-walled Carbon Nanotubes (MWCNT). These differences are related with the presence of atoms of carbon located in orbitals with different degree of hybridization (sp2-sp3), which in turn is related to the diverse grade of curvature of the planes of carbon in the nanostructures present in the samples. The obtained results indicate that XPS can be an important element in the characterization of the products obtained by the above-mentioned method of synthesis.

Resumen Se utilizó la Espectroscopia Fotoelectrónica de Rayos X (XPS) para estudiar nanoestructuras de carbono obtenidas por descarga de arco de electrodos de grafito sumergidos en agua. Se observó que los espectros de las muestras tomadas de la fracción flotante de los productos de la síntesis, compuestas básicamente por nano-cebollas de carbono (CNO), presentan diferencias con los de las muestras obtenidas del precipitado, que contiene una mezcla de CNOs y nano-tubos de carbono de capas múltiples (MWCNT). Estas diferencias están asociadas con la presencia de átomos de carbono localizados en orbitales con diferente grado de hibridación (sp2-sp3), lo que a su vez se relaciona con las diferentes curvaturas de los planos de carbono en las nanoestructuras presentes en la muestras. Los resultados obtenidos indican que XPS puede ser un elemento importante en la caracterización de los productos obtenidos por el citado método de síntesis.