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المؤلفون: Marfran C. D. Santos, Josélio Maria Galvão de Araújo, Kássio M. G. Lima, Joelma D. Monteiro
المصدر: Scientific Reports, Vol 10, Iss 1, Pp 1-13 (2020)
Scientific Reportsمصطلحات موضوعية: Serum, 0301 basic medicine, Future studies, lcsh:Medicine, Biology, medicine.disease_cause, Microbiology, Sensitivity and Specificity, Article, Dengue fever, Dengue, 03 medical and health sciences, 0302 clinical medicine, medicine, Humans, Viremia, Chikungunya, Least-Squares Analysis, Multi way analysis, Spectroscopy, lcsh:Science, Principal Component Analysis, Multidisciplinary, Molecular fluorescence, Cheminformatics, lcsh:R, Computational Biology, Dengue Virus, Serum samples, medicine.disease, Spectrometry, Fluorescence, 030104 developmental biology, Molecular Diagnostic Techniques, Chikungunya Fever, lcsh:Q, Biological system, F1 score, Analytical chemistry, Chikungunya virus, Algorithms, 030217 neurology & neurosurgery
الوصف: Significant attempts are being made worldwide in an attempt to develop a tool that, with a simple analysis, is capable of distinguishing between different arboviruses. Herein, we employ molecular fluorescence spectroscopy as a sensitive and specific rapid tool, with simple methodology response, capable of identifying spectral variations between serum samples with or without the dengue or chikungunya viruses. Towards this, excitation emission matrices (EEM) of clinical samples from patients with dengue or chikungunya, in addition to uninfected controls, were separated into a training or test set and analysed using multi-way classification models such as n-PLSDA, PARAFAC-LDA and PARAFAC-QDA. Results were evaluated based on calculations of accuracy, sensitivity, specificity and F score; the most efficient model was identified to be PARAFAC-QDA, whereby 100% was obtained for all figures of merit. QDA was able to predict all samples in the test set based on the scores present in the factors selected by PARAFAC. The loadings obtained by PARAFAC can be used in future studies to prove the direct or indirect relationship of spectral changes caused by the presence of these viruses. This study demonstrates that molecular fluorescence spectroscopy has a greater capacity to detect spectral variations related to the presence of such viruses when compared to more conventional techniques.
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المؤلفون: Daniel L. D. Freitas, Adam D. Morris, Ajay Dhaygude, Camilo L. M. Morais, Mark E. Brady, Kássio M. G. Lima, Francis Martin, Anthony W. Rowbottom
المصدر: Scientific Reports
Scientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)مصطلحات موضوعية: Male, 0301 basic medicine, Nephrology, medicine.medical_specialty, Science, Anti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis, Urine, Disease, Proof of Concept Study, Gastroenterology, Article, Computational biophysics, 03 medical and health sciences, 0302 clinical medicine, Text mining, Rheumatology, Internal medicine, Spectroscopy, Fourier Transform Infrared, Humans, Medicine, Aged, 030203 arthritis & rheumatology, Multidisciplinary, business.industry, Autoantibody, Middle Aged, medicine.disease, 030104 developmental biology, Biomarker (medicine), Female, business, Vasculitis, Biomarkers
الوصف: The current lack of a reliable biomarker of disease activity in anti-neutrophil cytoplasmic autoantibody (ANCA) associated vasculitis poses a significant clinical unmet need when determining relapsing or persisting disease. In this study, we demonstrate for the first time that attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy offers a novel and functional candidate biomarker, distinguishing active from quiescent disease with a high degree of accuracy. Paired blood and urine samples were collected within a single UK centre from patients with active disease, disease remission, disease controls and healthy controls. Three key biofluids were evaluated; plasma, serum and urine, with subsequent chemometric analysis and blind predictive model validation. Spectrochemical interrogation proved plasma to be the most conducive biofluid, with excellent separation between the two categories on PC2 direction (AUC 0.901) and 100% sensitivity (F-score 92.3%) for disease remission and 85.7% specificity (F-score 92.3%) for active disease on blind predictive modelling. This was independent of organ system involvement and current ANCA status, with similar findings observed on comparative analysis following successful remission-induction therapy (AUC > 0.9, 100% sensitivity for disease remission, F-score 75%). This promising technique is clinically translatable and warrants future larger study with longitudinal data, potentially aiding earlier intervention and individualisation of treatment.
وصف الملف: application/pdf
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المؤلفون: Camilo L. M. Morais, Fernanda S. L. Costa, Kássio M. G. Lima, Eduardo Wagner Vasconcelos de Andrade
المصدر: Current Analytical Chemistry
مصطلحات موضوعية: 0301 basic medicine, Analyte, Multivariate statistics, isoniazid, Spectrometer, Calibration (statistics), 010401 analytical chemistry, Multivariate control chart, NIR, Pharmaceutical formulation, Residual, rifampicin, 01 natural sciences, Article, 0104 chemical sciences, Analytical Chemistry, 03 medical and health sciences, 030104 developmental biology, Chart, NAS, Control chart, Algorithm, Mathematics, direct standardization
الوصف: Background: Multivariate transfer techniques have become a widely accepted concept over the past few years, since they avoid full recalibration procedures when instruments are changed to analyze a specific sample. Objective: This paper reports a multivariate control chart transfer approach between two near infrared (NIR) spectrometers for simultaneous determination of rifampicin and isoniazid in pharmaceutical formu-lation using Direct Standardization (DS). Method: The control charts are based on the calculation of Net Analyte Signal (NAS) models and the transfer samples are selected by the Kennard-Stone (KS) algorithm. Three control charts (NAS, interfer-ence and residual) transferred on both the master and slave instruments were measured. Results: As a result, a classification model for rifampicin and isoniazid developed on a primary instrument has been successfully transferred to a secondary instrument. The spectral differences after the standardiza-tion procedure were considerably reduced and errors values found in the charts for both analytes were comparable with the errors obtained for the original chart models. Conclusion: The proposed approach appears to be a valid alternative to the commonly used transfer of multivariate calibration models in simultaneous determination of isoniazid and rifampicin in pharmaceuti-cal formulation
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87a887c7acdabe363c9844136fce5364
http://europepmc.org/articles/PMC6182936 -
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المؤلفون: Francis Martin, Kássio M. G. Lima, Lidiane G. Silva, Ana F. S. Peres, Janaina Cristiana de Oliveira Crispim, Camilo L. M. Morais, Daniel L. D. Freitas
المصدر: Scientific Reports
Scientific Reports, Vol 10, Iss 1, Pp 1-7 (2020)مصطلحات موضوعية: Adult, 0301 basic medicine, medicine.medical_specialty, Multivariate analysis, Optical spectroscopy, Human immunodeficiency virus (HIV), Atr ftir spectroscopy, lcsh:Medicine, HIV Infections, medicine.disease_cause, 01 natural sciences, Article, 03 medical and health sciences, Pregnancy, Spectroscopy, Fourier Transform Infrared, Blood plasma, medicine, Humans, Pregnancy Complications, Infectious, lcsh:Science, Infrared spectroscopy, Principal Component Analysis, Multidisciplinary, business.industry, Obstetrics, Cheminformatics, lcsh:R, Biological techniques, 010401 analytical chemistry, Discriminant Analysis, HIV screening, Translational research, Linear discriminant analysis, medicine.disease, 0104 chemical sciences, 030104 developmental biology, Multivariate Analysis, lcsh:Q, Female, business, Algorithms
الوصف: The primary concern for HIV-infected pregnant women is the vertical transmission that can occur during pregnancy, in the intrauterine period, during labour or even breastfeeding. The risk of vertical transmission can be reduced by early diagnosis. Therefore, it is necessary to develop new methods to detect this virus in a quick and low-cost fashion, as colorimetric assays for HIV detection tend to be laborious and costly. Herein, attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy combined with multivariate analysis was employed to distinguish HIV-infected patients from healthy uninfected controls in a total of 120 blood plasma samples. The best sensitivity (83%) and specificity (92%) values were obtained using the genetic algorithm with linear discriminant analysis (GA-LDA). These good classification results in addition to the potential for high analytical frequency, the low cost and reagent-free nature of this method demonstrate its potential as an alternative tool for HIV screening during pregnancy.
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::727fe26fd90791e13321498efbb2238c
https://clok.uclan.ac.uk/35589/1/41598_2020_Article_77378.pdf -
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المؤلفون: Kássio M. G. Lima, Renato Motta Neto, Fernanda S. L. Costa, Camilo L. M. Morais, Caio C. R. Bezerra
المصدر: Scientific Reports
Scientific Reports, Vol 10, Iss 1, Pp 1-9 (2020)مصطلحات موضوعية: 0301 basic medicine, Multivariate analysis, Statistical methods, Klebsiella pneumoniae, lcsh:Medicine, Feature selection, Microbial Sensitivity Tests, 01 natural sciences, Article, Applied microbiology, 03 medical and health sciences, Drug Resistance, Bacterial, Escherichia coli, Computational models, lcsh:Science, Data mining, Mathematics, Principal Component Analysis, Multidisciplinary, biology, business.industry, Cheminformatics, Dimensionality reduction, lcsh:R, Infectious-disease diagnostics, 010401 analytical chemistry, Reproducibility of Results, Pattern recognition, Quadratic classifier, biology.organism_classification, Linear discriminant analysis, 0104 chemical sciences, Support vector machine, Spectrometry, Fluorescence, 030104 developmental biology, Multivariate Analysis, Principal component analysis, lcsh:Q, Artificial intelligence, Pathogens, business
الوصف: Klebsiella pneumoniae and Escherichia coli are part of the Enterobacteriaceae family, being common sources of community and hospital infections and having high antimicrobial resistance. This resistance profile has become the main problem of public health infections. Determining whether a bacterium has resistance is critical to the correct treatment of the patient. Currently the method for determination of bacterial resistance used in laboratory routine is the antibiogram, whose time to obtain the results can vary from 1 to 3 days. An alternative method to perform this determination faster is excitation-emission matrix (EEM) fluorescence spectroscopy combined with multivariate classification methods. In this paper, Linear Discriminant Analysis (LDA), Quadratic Discriminant Analysis (QDA) and Support Vector Machines (SVM), coupled with dimensionality reduction and variable selection algorithms: Principal Component Analysis (PCA), Genetic Algorithm (GA), and the Successive Projections Algorithm (SPA) were used. The most satisfactory models achieved sensitivity and specificity rates of 100% for all classes, both for E. coli and for K. pneumoniae. This finding demonstrates that the proposed methodology has promising potential in routine analyzes, streamlining the results and increasing the chances of treatment efficiency.
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المؤلفون: Rhona J McVey, Kássio M. G. Lima, Helena O'Flynn, Emma J Crosbie, Sarah Kitson, Abigail E. Derbyshire, Cecilia Pow, Pierre L. Martin-Hirsch, Maria Paraskevaidi, Olivia Raglan, Katherine M. Ashton, Vanitha N Sivalingam, Helen F. Stringfellow, Camilo L. M. Morais, Maria Kyrgiou, Neil A J Ryan, Francis Martin, Michelle L. MacKintosh
المساهمون: Ovarian Cancer Action, HCA International Limited
المصدر: Paraskevaidi, M, Morais, C L M, Ashton, K, Stringfellow, H, McVey, R J, Ryan, N, O'Flynn, H, Sivalingam, V, Kitson, S, Mackintosh, M, Derbyshire, A, Pow, C, Raglan, O, Lima, K M G, Kyrgiou, M, Martin-Hirsch, P L, Martin, F & Crosbie, E 2020, ' Detecting endometrial cancer by blood spectroscopy: A diagnostic cross-sectional study ', Cancers, vol. 12, no. 5, 1256 . https://doi.org/10.3390/cancers12051256
Cancers, Vol 12, Iss 1256, p 1256 (2020)
Cancers
Volume 12
Issue 5
Paraskevaidi, M, Morais, C L M, Ashton, K M, Stringfellow, H F, McVey, R J, Ryan, N, O'Flynn, H, Sivalingam, V N, Kitson, S J, MacKintosh, M L, Derbyshire, A E, Pow, C, Raglan, O, Lima, K M G, Kyrgiou, M, Martin-Hirsch, P L, Martin, F L & Crosbie, E J 2020, ' Detecting Endometrial Cancer by Blood Spectroscopy : A Diagnostic Cross-Sectional Study ', Cancers, vol. 12, no. 5, 1256 . https://doi.org/10.3390/cancers12051256
Paraskevaidi, M, Morais, C L M, Ashton, K M, Stringfellow, H F, McVey, R J, Ryan, N A J, O'Flynn, H, Sivalingam, V N, Kitson, S J, MacKintosh, M L, Derbyshire, A E, Pow, C, Raglan, O, Lima, K M G, Kyrgiou, M, Martin-Hirsch, P L, Martin, F L & Crosbie, E J 2020, ' Detecting Endometrial Cancer by Blood Spectroscopy : A Diagnostic Cross-Sectional Study ', Cancers, vol. 12, no. 5, 1256 . https://doi.org/10.3390/cancers12051256مصطلحات موضوعية: 0301 basic medicine, Oncology, Cancer Research, Cross-sectional study, Atypical hyperplasia, SERUM, 0302 clinical medicine, blood diagnostics, Informed consent, Blood plasma, METABOLIC SYNDROME, RISK, 0303 health sciences, PLASMA, medicine.diagnostic_test, Manchester Cancer Research Centre, Obstetrics, Incidence (epidemiology), WOMEN, lcsh:Neoplasms. Tumors. Oncology. Including cancer and carcinogens, 3. Good health, 030220 oncology & carcinogenesis, endometrial cancer, Life Sciences & Biomedicine, medicine.medical_specialty, spectroscopy, BIOMARKERS, lcsh:RC254-282, Article, CLASSIFICATION, 03 medical and health sciences, Internal medicine, medicine, Blood test, 1112 Oncology and Carcinogenesis, 030304 developmental biology, Research ethics, Science & Technology, Cancer prevention, business.industry, Endometrial cancer, screening, ResearchInstitutes_Networks_Beacons/mcrc, B230, Cancer, medicine.disease, TRENDS, 030104 developmental biology, business
الوصف: Endometrial cancer is the sixth most common cancer in women, with a rising incidence worldwide. Current approaches for the diagnosis and screening of endometrial cancer are invasive, expensive or of moderate diagnostic accuracy, limiting their clinical utility. There is a need for cost-effective and minimally invasive approaches to facilitate the early detection and timely management of endometrial cancer. We analysed blood plasma samples in a cross-sectional diagnostic accuracy study of women with endometrial cancer (n = 342), its precursor lesion atypical hyperplasia (n = 68) and healthy controls (n = 242, total n = 652) using attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy and machine learning algorithms. We show that blood-based infrared spectroscopy has the potential to detect endometrial cancer with 87% sensitivity and 78% specificity. Its accuracy is highest for Type I endometrial cancer, the most common subtype, and for atypical hyperplasia, with sensitivities of 91% and 100%, and specificities of 81% and 88%, respectively. Our large-cohort study shows that a simple blood test could enable the early detection of endometrial cancer of all stages in symptomatic women and provide the basis of a screening tool in high-risk groups. Such a test has the potential not only to differentially diagnose endometrial cancer but also to detect its precursor lesion atypical hyperplasia&mdash
the early recognition of which may allow fertility sparing management and cancer prevention.وصف الملف: application/pdf
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المؤلفون: Gustavo Henrique de Almeida Teixeira, Victoria Meakem, Susan R. Whitehead, Camilo L. M. Morais, Kássio M. G. Lima
المساهمون: Universidade Estadual Paulista (Unesp), Virginia Polytechnic Institute and State University (Virginia Tech), School of Pharmacy and Biomedical Sciences, Bairro De Lagoa Nova
المصدر: Scopus
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESPمصطلحات موضوعية: 0106 biological sciences, 0301 basic medicine, Insecticides, Probiotics, food and beverages, C200, Plant Science, Biology, Antimicrobial, 01 natural sciences, Zygophiala, Disease damage, Fungicide, 03 medical and health sciences, Horticulture, 030104 developmental biology, Nutrient, Antibiotics, Malus xdomesticaborkh, Agronomy and Crop Science, Ecology, Evolution, Behavior and Systematics, 010606 plant biology & botany, Fungicides, Physicochemical composition
الوصف: Made available in DSpace on 2020-12-12T01:57:37Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-05-01 Apple trees cv. ‘Golden Delicious’ and ‘York’ were sprayed from bloom to fruit maturity with different products to evaluate the effect of pre-harvest treatments on fruit quality, including insect/disease damage and physicochemical fruit traits. Apple trees were assigned to five treatments: unsprayed (control), holistic solution (foliar nutrients and probiotics), insecticides, antimicrobials (fungicides and antibiotics), and a combination of antimicrobials + insecticides. The treatments started soon after bloom and were carried out every two weeks until fruit were ready to harvest. Diseases such as sooty blotch (complex of several fungi) and flyspeck (Zygophiala jamaicensis Mason) were the major source of damage on fruits. ‘Golden Delicious’ trees had a higher percentage of undamaged fruit than ‘York’, but all trees had some percentage of damaged fruit. Damage was most severe in the control (unsprayed) and insecticide treatments, intermediate in the holistic treatment, and much lower in the antimicrobial and antimicrobial + insecticide treatments (p < 0.003 for all comparisons). There was also a significant interactive effect (p
وصف الملف: application/pdf
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المؤلفون: Kássio M. G. Lima, Yasmin M. Nascimento, Marfran C. D. Santos, Camilo L. M. Morais, Josélio Maria Galvão de Araújo
المصدر: Trends in Analytical Chemistry
مصطلحات موضوعية: 0301 basic medicine, Biological studies, Classification algorithms, business.industry, Computer science, 010401 analytical chemistry, Analytical chemistry, Machine learning, computer.software_genre, 01 natural sciences, Article, 0104 chemical sciences, Analytical Chemistry, 03 medical and health sciences, 030104 developmental biology, Virus identification, Multivariate analysis, Biochemical composition, Computational analysis, Artificial intelligence, Chemometrics, business, computer, Spectroscopy
الوصف: This review presents a retrospective of the studies carried out in the last 10 years (2006–2016) using spectroscopic methods as a research tool in the field of virology. Spectroscopic analyses are sensitive to variations in the biochemical composition of the sample, are non-destructive, fast and require the least sample preparation, making spectroscopic techniques tools of great interest in biological studies. Herein important chemometric algorithms that have been used in virological studies are also evidenced as a good alternative for analyzing the spectra, discrimination and classification of samples. Techniques that have not yet been used in the field of virology are also suggested. This methodology emerges as a new and promising field of research, and may be used in the near future as diagnosis tools for detecting diseases caused by viruses.
Graphical abstract Image 1
Highlights • A retrospective study of 2006–2016 using spectroscopic methods as a research tool in the field of virology. • Chemometric algorithms used in virological studies were evidenced. • This review emerges as a new and promising field of research in virology. -
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المؤلفون: Kássio M. G. Lima, Ana Carolina de Oliveira Neves, Thais Pontes Pereira Mendes, Boniek G. Vaz, Camilo L. M. Morais
المصدر: Scientific Reports, Vol 8, Iss 1, Pp 1-10 (2018)
Scientific Reportsمصطلحات موضوعية: Adult, 0301 basic medicine, Oncology, medicine.medical_specialty, Support Vector Machine, Multivariate analysis, lcsh:Medicine, Cervical intraepithelial neoplasia, Malignancy, Sensitivity and Specificity, 01 natural sciences, Article, Mass Spectrometry, 03 medical and health sciences, Internal medicine, Lipidomics, medicine, Humans, lcsh:Science, F180, Cervical cancer, Principal Component Analysis, Multidisciplinary, business.industry, 010401 analytical chemistry, lcsh:R, Cancer, A300, Lipid Metabolism, Uterine Cervical Dysplasia, medicine.disease, Linear discriminant analysis, 0104 chemical sciences, Squamous intraepithelial lesion, 030104 developmental biology, Case-Control Studies, Multivariate Analysis, Female, lcsh:Q, business
الوصف: Cervical cancer is still an important issue of public health since it is the fourth most frequent type of cancer in women worldwide. Much effort has been dedicated to combating this cancer, in particular by the early detection of cervical pre-cancerous lesions. For this purpose, this paper reports the use of mass spectrometry coupled with multivariate analysis as an untargeted lipidomic approach to classifying 76 blood plasma samples into negative for intraepithelial lesion or malignancy (NILM, n = 42) and squamous intraepithelial lesion (SIL, n = 34). The crude lipid extract was directly analyzed with mass spectrometry for untargeted lipidomics, followed by multivariate analysis based on the principal component analysis (PCA) and genetic algorithm (GA) with support vector machines (SVM), linear (LDA) and quadratic (QDA) discriminant analysis. PCA-SVM models outperformed LDA and QDA results, achieving sensitivity and specificity values of 80.0% and 83.3%, respectively. Five types of lipids contributing to the distinction between NILM and SIL classes were identified, including prostaglandins, phospholipids, and sphingolipids for the former condition and Tetranor-PGFM and hydroperoxide lipid for the latter. These findings highlight the potentiality of using mass spectrometry associated with chemometrics to discriminate between healthy women and those suffering from cervical pre-cancerous lesions.
وصف الملف: application/pdf
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المؤلفون: Kássio M. G. Lima, Camilo L. M. Morais, Maria Paraskevaidi, David M. A. Mann, Francis Martin, Pierre L. Martin-Hirsch, David Allsop, Daniel L. D. Freitas
المصدر: The Analyst. 143:5959-5964
مصطلحات موضوعية: Male, 0301 basic medicine, medicine.medical_specialty, Palliative care, Population, Disease, Biochemistry, Analytical Chemistry, 03 medical and health sciences, Alzheimer Disease, Electrochemistry, Humans, Environmental Chemistry, Medicine, Dementia, Stage (cooking), Intensive care medicine, education, Spectroscopy, Aged, Principal Component Analysis, education.field_of_study, Spectroscopy, Near-Infrared, business.industry, B230, Discriminant Analysis, Middle Aged, Quadratic classifier, Linear discriminant analysis, medicine.disease, Clinical trial, 030104 developmental biology, Female, business, Blood Chemical Analysis
الوصف: Alzheimer's disease (AD) is currently under-diagnosed and is predicted to affect a great number of people in the future, due to the unrestrained aging of the population. An accurate diagnosis of AD at an early stage, prior to (severe) symptomatology, is of crucial importance as it would allow the subscription of effective palliative care and/or enrolment into specific clinical trials. Today, new analytical methods and research initiatives are being developed for the on-time diagnosis of this devastating disorder. During the last decade, spectroscopic techniques have shown great promise in the robust diagnosis of various pathologies, including neurodegenerative diseases and dementia. In the current study, blood plasma samples were analysed with near-infrared (NIR) spectroscopy as a minimally-invasive method to distinguish patients with AD (n = 111) from non-demented volunteers (n = 173). After applying multivariate classification models (principal component analysis with quadratic discriminant analysis - PCA-QDA), AD individuals were correctly identified with 92.8% accuracy, 87.5% sensitivity and 96.1% specificity. Our results show the potential of NIR spectroscopy as a simple and cost-effective diagnostic tool for AD. Robust and early diagnosis may be a first step towards tackling this disease by allowing timely intervention.
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