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Schultes, E. (author), Roos, M. (author), Bonino da Silva Santos, L.O. (author), Guizzardi, G. (author), Bouwman, J. (author), Hankemeier, T. (author), Baak, A. (author), Mons, B. (author)Although all the technical components supporting fully orchestrated Digital Twins (DT) currently exist, what remains missing is a conceptual clarification and analysis of a more generalized concept of a DT that is made FAIR, that is, universally machine actionable. This methodological overview is a first step toward this clarification. We...article 2022
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He, M. (author), Harms, A.C. (author), van Wijk, E. (author), Wang, M. (author), Berger, R. (author), Koval. S., (author), Hankemeier, T. (author), van der Greef, J. (author)Background. Rheumatoid arthritis (RA) is a complex, chronic autoimmune disease characterized by various inflammatory symptoms, including joint swelling, joint pain, and both structural and functional joint damage. The most commonly used animal model for studying RA is mice with collagen‐induced arthritis (CIA); the wide use of this model is due...article 2019
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Sun, M. (author), Chang, W.T. (author), van Wijk, E. (author), He, M. (author), Koval, S. (author), Lin, M.K. (author), Van Wijk, R. (author), Hankemeier, T. (author), van der Greef, J. (author), Wang, M. (author)Based on the traditional Chinese medicine theory, the Chinese pharmacopeia assigns a therapeutic description of “taste” to all herbs; thus, an herb's “taste” is valued in traditional Chinese medicine as a major ethnopharmacological category and reflects the herb's therapeutic properties. These properties guide the practitioner with respect to...article 2017
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Sun, M. (author), van Wijk, E. (author), Koval, S. (author), van Wijk, R. (author), He, M. (author), Wang, M. (author), Hankemeier, T. (author), van der Greef, J. (author)The global prevalence of type 2 diabetes is estimated to reach 4.4% by 2030, placing a significant burden on our healthcare system. Therefore, the ability to identify patients in early stages of the disease is essential for both prevention and effective management, and diagnostic methods based on traditional Chinese medicine (TCM) may be...article 2017
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He, M. (author), van Wijk, E. (author), van Wietmarschen, H. (author), Wang, M. (author), Sun, M. (author), Koval, S. (author), van Wijk, R. (author), Hankemeier, T. (author), van der Greef, J. (author)The increasing prevalence of rheumatoid arthritis has driven the development of new approaches and technologies for investigating the pathophysiology of this devastating, chronic disease. From the perspective of systems biology, combining comprehensive personal data such as metabolomics profiling with ultra-weak photon emission (UPE) data may...article 2017
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Sun, M. (author), van Wijk, R. (author), van Wijk, E. (author), Wang, M. (author), van Wietmarschen, H. (author), Hankemeier, T. (author), van der Greef, J. (author)In Chinese medicine, raw herbal materials are used in processed and unprocessed forms aiming to meet the different requirements of clinical practice. To assure the chemical quality and therapeutic properties of the herbs, fast and integrated systematic assays are required. So far, such assays have not been established. Delayed luminescence (DL)...article 2016
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Burgos, R.C.R. (author), Cervinková, K. (author), van der Laan, T. (author), Ramautar, R. (author), van Wijk, E.P.A. (author), Cifra, M. (author), Koval, S. (author), Berger, R. (author), Hankemeier, T. (author), van der Greef, J. (author)Ultra-weak photon emission (UPE) is light emitted spontaneously by biological systems without the use of specific luminescent complexes. UPE is emitted in the near-UV/UV–Vis/near-IR spectra during oxidative metabolic reactions; however, the specific pathways involved in UPE remain poorly understood. Here, we used HL-60 cells, a human...article 2016
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Sun, M. (author), Li, L. (author), Wang, M. (author), Van Wijk, E. (author), He, M. (author), van Wijk, R. (author), Koval, S. (author), Hankemeier, T. (author), van der Greef, J. (author), Wei, S. (author)To improve the quality control of herbal drugs, there has been a major shift from evaluating individual chemicals to evaluating multiple-constituent chemicals, given the multi-pharmacology nature of herbal drugs. Therefore, rapid, systematic assays are needed in order to assess the quality of medicinal herbs using a comprehensive, integrated...article 2016
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He, M. (author), Sun, M. (author), van Wijk, E. (author), van Wietmarschen, H. (author), van Wijk, R. (author), Wang, Z. (author), Wang, M. (author), Hankemeier, T. (author), van der Greef, J. (author)To present the possibilities pertaining to linking ultra-weak photon emission (UPE) with Chinese medicine-based diagnostics principles, we conducted a review of Chinese literature regarding UPE with respect to a systems view of diagnostics. Data were summarized from human clinical studies and animal models published from 1979 through 1998. The...article 2016
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Fu, J. (author), Cuppen, B.V.J. (author), Welsing, P.M. (author), van Wietmarschen, H. (author), Harms, A.C. (author), Berger, R. (author), Koval, S. (author), Fritsch-Stork, R.D. (author), Bijlsma, J.W. (author), Hankemeier, T. (author), van der Greef, J. (author), Lafeber, F.P. (author)Objective As there are pharmacological differences between males and females, and glucocorticoid (GC) treatment is associated with increased cardiovascular mortality rate in rheumatoid arthritis (RA) patients, it is important to study serum polar lipid profiles of male and female patients in response to GC therapy. Gender differences may require...article 2016
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Schoeman, J.C. (author), Harms, A.C. (author), van Wietmarschen, H.A. (author), Vreeken, R.J. (author), Berger, R. (author), Cuppen, B.V.J. (author), Lafeber, F.P.J.G. (author), van der Greef, J. (author), Hankemeier, T. (author)Oxidised lipids, covering enzymatic and auto-oxidation-synthesised mediators, are important signalling metabolites in inflammation while also providing a readout for oxidative stress, both of which are prominent physiological processes in a plethora of diseases. Excretion of these metabolites via urine is enhanced through the phase-II...article 2016
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Cuppen, B.V.J. (author), Fu, J. (author), van Wietmarschen, H.A. (author), Harms, A.C. (author), Koval, S. (author), Marijnissen, A.C.A. (author), Peeters, J.J.W. (author), Bijlsma, J.W.J. (author), Tekstra, J. (author), van Laar, J.M. (author), Hankemeier, T. (author), Lafeber, F.P.J.G. (author), van der Greef, J. (author)In clinical practice, approximately one-Third of patients with rheumatoid arthritis(RA) respond insufficiently to TNF-alpha inhibitors (TNFis). The aim of the study was to explore the use of a metabolomics to identify predictors for the outcome of TNFi therapy, and study the metabolomic fingerprint in active RA irrespective of patients' response...article 2016
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Stroeve, J.H.M. (author), Saccenti, E. (author), Bouwman, J. (author), Dane, A. (author), Strassburg, K. (author), Vervoort, J. (author), Hankemeier, T. (author), Astrup, A. (author), Smilde, A.K. (author), van Ommen, B. (author), Saris, W.H.M. (author)Objective: Aim is to predict successful weight loss by metabolic signatures at baseline and to identify which differences in metabolic status may underlie variations in weight loss success. Methods: In DiOGenes, a randomized, controlled trial, weight loss was induced using a low calorie diet (800 kcal) for 8-weeks. Men (N5236) and women (N5431)...article 2016
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- Salek, R.M. (author), Neumann, S. (author), Schober, D. (author), Hummel, J. (author), Billiau, K. (author), Kopka, J. (author), Correa, E. (author), Reijmers, T. (author), Rosato, A. (author), Tenori, L. (author), Turano, P. (author), Marin, S. (author), Deborde, C. (author), Jacob, D. (author), Rolin, D. (author), Dartigues, B. (author), Conesa, P. (author), Haug, K. (author), Rocca-Serra, P. (author), O’Hagan, S. (author), Hao, J. (author), van Vliet, M. (author), Sysi-Aho, M. (author), Ludwig, C. (author), Bouwman, J. (author), Cascante, M. (author), Ebbels, T. (author), Griffin, J.L. (author), Moing, A. (author), Nikolski, M. (author), Oresic, M. (author), Sansone, S.A. (author), Viant, M.R. (author), Goodacre, R. (author), Günther, U.L. (author), Hankemeier, T. (author), Luchinat, C. (author), Walther, D. (author), Steinbeck, C. (author) article 2015
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COordination of Standards in MetabOlomicS (COSMOS): Facilitating integrated metabolomics data accessSalek, R.M. (author), Neumann, S. (author), Schober, D. (author), Hummel, J. (author), Billiau, K. (author), Kopka, J. (author), Correa, E. (author), Reijmers, T. (author), Rosato, A. (author), Tenori, L. (author), Turano, P. (author), Marin, S. (author), Deborde, C. (author), Jacob, D. (author), Rolin, D. (author), Dartigues, B. (author), Conesa, P. (author), Haug, K. (author), Rocca-Serra, P. (author), O’Hagan, S. (author), Hao, J. (author), van Vliet, M. (author), Sysi-Aho, M. (author), Ludwig, C. (author), Bouwman, J. (author), Cascante, M. (author), Ebbels, T. (author), Griffin, J.L. (author), Moing, A. (author), Nikolski, M. (author), Oresic, M. (author), Sansone, S.A. (author), Viant, M.R. (author), Goodacre, R. (author), Günther, U.L. (author), Hankemeier, T. (author), Luchinat, C. (author), Walther, D. (author), Steinbeck, C. (author)Metabolomics has become a crucial phenotyping technique in a range of research fields including medicine, the life sciences, biotechnology and the environmental sciences. This necessitates the transfer of experimental information between research groups, as well as potentially to publishers and funders. After the initial efforts of the...article 2015
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He, M. (author), van Wijk, E. (author), Berger, R. (author), Wang, M. (author), Strassburg, K. (author), Schoeman, J.C. (author), Vreeken, R.J. (author), van Wietmarschen, H. (author), Harms, A.C. (author), Kobayashi, M. (author), Hankemeier, T. (author), van der Greef, J. (author)Oxylipins play important roles in various biological processes and are considered as mediators of inflammation for a wide range of diseases such as rheumatoid arthritis (RA). The purpose of this research was to study differences in oxylipin levels between a widely used collagen induced arthritis (CIA) mice model and healthy control (Ctrl) mice....article 2015
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- Schroën, Y. (author), van Wietmarschen, H.A. (author), Wang, M. (author), van Wijk, E.P. (author), Hankemeier, T. (author), Xu, G. (author), van der Greef, J. (author) article 2014
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Krishnan, S. (author), Verheij, E.E.R. (author), Bas, R.C. (author), Hendriks, M.W.B. (author), Hankemeier, T. (author), Thissen, U. (author), Coulier, L. (author)RATIONALE Mass spectra obtained by deconvolution of liquid chromatography/high-resolution mass spectrometry (LC/HRMS) data can be impaired by non-informative mass-over-charge (m/z) channels. This impairment of mass spectra can have significant negative influence on further post-processing, like quantification and identification. METHODS A metric...article 2013
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Coulier, L. (author), Muilwijk, B. (author), Bijlsma, S. (author), Noga, M. (author), Tienstra, M. (author), Attali, A. (author), van Aken, H. (author), Suidgeest, E. (author), Tuinstra, T. (author), Luider, T.M. (author), Hankemeier, T. (author), Bobeldijk, I. (author)Analysis of metabolites in biofluids by gas chromatography-mass spectrometry (GC-MS) after oximation and silylation is a key method in metabolomics. The GC-MS method was modified by a modified vial design and sample work-up procedure in order to make the method applicable to small volumes of cerebrospinal fluid (CSF), i. e. 10 μL, with similar...article 2013
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Peironcely, J.E. (author), Rojas-Chertó, M. (author), Tas, A. (author), Vreeken, R. (author), Reijmers, T. (author), Coulier, L. (author), Hankemeier, T. (author)Metabolite identification is one of the biggest bottlenecks in metabolomics. Identifying human metabolites poses experimental, analytical, and computational challenges. Here we present a pipeline of previously developed cheminformatic tools and demonstrate how it facilitates metabolite identification using solely LC/MSn data. These tools process...article 2013