In vitro mineralization kinetics of poly(l-lactic acid)/hydroxyapatite nanocomposite material by attenuated total reflection Fourier transform infrared mapping coupled with principal component analysis

2018 ◽  
Vol 53 (11) ◽  
pp. 8009-8019 ◽  
Author(s):  
Tongtong Dou ◽  
Nan Jing ◽  
Bingyao Zhou ◽  
Pudun Zhang
Keyword(s):  
Principal Component Analysis ◽  
Fourier Transform ◽  
Lactic Acid ◽  
Principal Component ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
In Vitro Mineralization ◽  
Mineralization Kinetics ◽  
Kinetics Of

Chemometric Approach to a Rapid Attenuated Total Reflection Fourier Transform Infrared Analysis of Complex Heroin-Based Mixtures

2020 ◽  
pp. 000370282096971
Author(s):  
Nataša Radosavljević Stevanović ◽  
Milena Jovanović ◽  
Federico Marini ◽  
Slavica Ražić
Keyword(s):  
Principal Component Analysis ◽  
Fourier Transform ◽  
Principal Component ◽  
Fourier Transform Infrared ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Illegal Market ◽  
Ft Ir

Heroin is one of the most frequently seized drugs in Southeastern Europe. Due to the position in the Balkan route, the Republic of Serbia keeps important role in suppression of the trafficking of heroin for domestic and foreign illegal market. This research is aimed to provide a good scientific approach in the field of seized heroin analysis. Two different forms of heroin are present in the illegal market, mostly in mixtures with typical “cutting” agents: caffeine, paracetamol, and sugars. It was observed that the quantity of pure heroin in seized samples slightly increases from year to year. The aim of this study was to produce a reliable and fast procedure for classification of illicit heroin samples and determination of the concentration range of heroin in the samples. For that purpose, the attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) technique was used and combined with such chemometric methods as principal component analysis, cluster analysis, and partial least squares. Principal component analysis (PCA) as an unsupervised model was used for exploratory purposes to identify trends, similarities, and differences between samples by reducing the dimensionality of the data. The cluster classification of examined samples turned out to be extremely useful to evaluate the possibilities of the ATR FT-IR technique to classify the samples appropriately into the patterns, the constituted clusters. Additionally, partial least square was the suitable method for the purpose of determination of the heroin hydrochloride concentration range in examined samples. It is proved that the joined application of spectroscopy and chemometrics can be extremely convenient and useful for forensic and drugs control laboratories.

scholarly journals Spectrochemical differentiation of meningioma tumours based on attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy

2019 ◽  
Vol 412 (5) ◽  
pp. 1077-1086
Author(s):  
Taha Lilo ◽  
Camilo L. M. Morais ◽  
Katherine M. Ashton ◽  
Ana Pardilho ◽  
Charles Davis ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Discriminant Analysis ◽  
Ftir Spectroscopy ◽  
Principal Component ◽  
Fourier Transform Infrared ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Tissue Samples ◽  
Linear Discriminant ◽  
Grade Ii

AbstractMeningiomas are the commonest types of tumours in the central nervous system (CNS). It is a benign type of tumour divided into three WHO grades (I, II and III) associated with tumour growth rate and likelihood of recurrence, where surgical outcomes and patient treatments are dependent on the meningioma grade and histological subtype. The development of alternative approaches based on attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy could aid meningioma grade determination and its biospectrochemical profiling in an automated fashion. Herein, ATR-FTIR in combination with chemometric techniques is employed to distinguish grade I, grade II and grade I meningiomas that re-occurred. Ninety-nine patients were investigated in this study where their formalin-fixed paraffin-embedded (FFPE) brain tissue samples were analysed by ATR-FTIR spectroscopy. Subsequent classification was performed via principal component analysis plus linear discriminant analysis (PCA-LDA) and partial least squares plus discriminant analysis (PLS-DA). PLS-DA gave the best results where grade I and grade II meningiomas were discriminated with 79% accuracy, 80% sensitivity and 73% specificity, while grade I versus grade I recurrence and grade II versus grade I recurrence were discriminated with 94% accuracy (94% sensitivity and specificity) and 97% accuracy (97% sensitivity and 100% specificity), respectively. Several wavenumbers were identified as possible biomarkers towards tumour differentiation. The majority of these were associated with lipids, protein, DNA/RNA and carbohydrate alterations. These findings demonstrate the potential of ATR-FTIR spectroscopy towards meningioma grade discrimination as a fast, low-cost, non-destructive and sensitive tool for clinical settings.

Attenuated total reflectance/Fourier transform infrared (ATR/FTIR) mapping coupled with principal component analysis for the study of in vitro degradation of porous polylactide/hydroxyapatite composite material

2014 ◽  
Vol 6 (15) ◽  
pp. 5590-5595 ◽  
Author(s):  
Nan Jing ◽  
Xiaoting Jiang ◽  
Qian Wang ◽  
Yongjiao Tang ◽  
Pudun Zhang
Keyword(s):  
Principal Component Analysis ◽  
Composite Material ◽  
Fourier Transform ◽  
Principal Component ◽  
Component Analysis ◽  
Attenuated Total Reflectance ◽  
In Vitro Degradation ◽  
Total Reflectance ◽  
Hydroxyapatite Composite

We proposes coupling ATR/FTIR mapping with principal component analysis for the biomimetic degradation of poly(l-lactide)/hydroxyapatite composite material.

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