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Special Issue "Innovative Extraction Techniques and Hyphenated Instrument Configuration for Complex Matrices Analysis"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: 31 May 2018

Special Issue Editors

Guest Editor
Prof. Dr. Marcello Locatelli

Department of Pharmacy, University “G. d’Annunzio” of Chieti-Pescara, Build B, level 2, Via dei Vestini 31, 66100 Chieti (CH), Italy
Website | E-Mail
Phone: +3908713554590
Interests: HPLC; mass spectrometry (MS and MS/MS); chemometrics; methods and instrument configurations development and validation; innovative (micro)extraction techniques (MEPS, FPSE, DLLME, SULLE, MAE, etc...); bioactive compounds (drugs, drugs associations, natural-derived bioactive compounds); characterization and fingerprint
Guest Editor
Prof. Dr. Simone Carradori

Deptartment of Pharmacy, University “G. d'Annunzio” of Chieti and Pescara, Chieti, Italy
Website | E-Mail
Interests: medicinal chemistry; innovative (micro)extraction procedures; microwave-assisted extraction; synthetic and natural-derived biologically active molecules; monoamine oxidase inhibitors; carbonic anhydrase inhibitors; anticancer agents; antifungal agents; anti-leishmanial and anti-Malaria compounds

Dr. Simone Carradori graduated with honors in 2003 in “Drug Chemistry and Technology”, in 2009 with honors in Pharmacy and then in “Applied Pharmaceutical Sciences” in 2016. In 2006 he completed his PhD in “Pharmaceutical Sciences” at the Laboratory of Medicinal Chemistry. In 2007 he received with honors the II level Master in "Natural Organic Substances". Dr. Carradori is an Assistant Professor at the Department of Pharmacy, University “G. d’Annunzio” of Chieti-Pescara. He holds the course of “Molecular fundaments in the medicinal activities of natural products” for the II level Master in "Nutraceutical and Cosmeceutical products from natural origin", at the University of Rome "La Sapienza". He has several years of experience in the design, synthesis, extraction and isolation of biologically active compounds. The research activity is aimed at the discovery of structure-activity relationships within naturally occurring chemical scaffolds. His scientific activity is attested by more than 119 papers in peer-reviewed journals and 1 patent. He is also Co-editor-in-chief of “Anti-Inflammatory and Anti-Allergy Agents in Medicinal Chemistry” (Bentham Science Publishers). He is member of the Editorial Board of “Journal of Enzyme Inhibition and Medicinal Chemistry” (Taylor & Francis), “Expert Opinion on Therapeutic Patents” (Taylor & Francis), and “Current Enzyme Inhibition” (Bentham Science Publishers).
Guest Editor
Dr. Andrei Mocan

Department of Pharmaceutical Botany, Iuliu Hațieganu University of Medicine and Pharmacy, 23 Ghe. Marinescu Street, Cluj-Napoca 400337, Romania
E-Mail
Interests: pharmaceutical Biology (botany); valorization of traditional medicinal and edible plants and fungi; extraction optimization of bioactive compounds from plant materials; experimental design applied to extraction and process optimization; bioactivity and chemical characterization of natural products, development of new nutraceuticals based on medicinal plants and fungi

Dr. Andrei Mocan has graduated in 2012 Pharmacy at “Iuliu Hațieganu” University of Medicine and Pharmacy from Cluj-Napoca, Romania. In February 2017 he graduated SUMMA CUM LAUDAE his PhD in “Pharmacy” by completing a joint degree between “Iuliu Hațieganu” University of Medicine and Pharmacy and the University of Hamburg, Germany. Since 2017, Dr. Mocan has been appointed a lecturer in the Faculty of Pharmacy, from “Iuliu Hațieganu” University of Medicine and Pharmacy where he teaches Pharmaceutical Botany.
Dr. Andrei Mocan has carried out his scientific works collaborating with several foreign groups as well as within several national collaborations/projects. For his results, in September 2016 he has been awarded with “The prize for excellence in scientific research” from the Romanian Society of Pharmaceutical Sciences, and in November 2017 with “The prize of excellence in Romanian Pharmaceutical Research” by the Romanian College of Pharmacists. His scientific activity is documented from about 54 papers in international peer-reviewed journals and participations in several conferences as well as national and international research grants.
Guest editor on a special issue on “Natural Enzyme Inhibitors” in South African Journal of Botany – Elsevier, guest editor on a special issue on “Antioxidant Essential Oils and Main Compounds to Treat Chronic Diseases: Current Developments and Trends” in Oxidative Medicine and Cellular Longevity –Hindawi.

Special Issue Information

Dear Colleagues,

Techniques that can be employed to accelerate extractions, work up, and isolation/purification of the products/metabolites, may be of interest both in the fields of natural products (food, plants, plant-derived products) and in analytical chemistry (biological matrices, clinical trials, sample preparation). In the last few years, the development of innovative procedures has deeply impacted the work of chemists.

The present Special Issue, “Innovative Extraction Techniques and Hyphenated Instrument Configuration for Complex Matrices Analysis”, aims to collect and to disseminate some of the most significant and recent contributions in the interdisciplinary area of innovative extraction procedures from complex matrices followed by validated analytical methods using hyphenated instrument configurations to support the optimization of the whole process and the scale-up possibility.

The scope is broad and includes the use of alternative (green) and/or innovative extraction techniques, optimization of the corresponding parameters by means of experimental design, development of proper solvents (ionic liquids, deep eutectic solvents, cyclodextrins), extract fractioning on the basis of specific biological activities, knowledge of the target structures in order to pursue a targeted analysis, and evaluation of the stability of intermediates/final products.

Accepted paper (both reviews and research papers) could be in the field of: - extraction procedures - hyphenated techniques - food and food supplements analyses - biological analyses - chemometric approaches. Eventually all related to specific biological activities observed.

- Abstract submission     February 2018

- Paper submission     31 May 2018

- Revision (Reviewer)     end of June 2018

- Revised version     end of July 2018

- Final proof     first days of September 2018

Prof. Dr. Marcello Locatelli
Prof. Dr. Simone Carradori
Dr. Andrei Mocan
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • hyphenated techniques
  • innovative (micro)extraction procedures
  • biological activities
  • food and food supplements analyses
  • medicinal plants and fungi
  • biological analyses
  • chemometric approaches

Published Papers (10 papers)

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Research

Open AccessArticle Effects of Ultrasound Assisted Extraction in Conjugation with Aid of Actinidin on the Molecular and Physicochemical Properties of Bovine Hide Gelatin
Molecules 2018, 23(4), 730; doi:10.3390/molecules23040730
Received: 25 December 2017 / Revised: 10 February 2018 / Accepted: 12 February 2018 / Published: 22 March 2018
PDF Full-text (1757 KB) | HTML Full-text | XML Full-text
Abstract
Actinidin was used to pretreat the bovine hide and ultrasonic wave (53 kHz and 500 W) was used for the time durations of 2, 4 and 6 h at 60 °C to extract gelatin samples (UA2, UA4 and UA6, respectively). Control (UAC) gelatin
[...] Read more.
Actinidin was used to pretreat the bovine hide and ultrasonic wave (53 kHz and 500 W) was used for the time durations of 2, 4 and 6 h at 60 °C to extract gelatin samples (UA2, UA4 and UA6, respectively). Control (UAC) gelatin was extracted using ultrasound for 6 h at 60 °C without enzyme pretreatment. There was significant (p < 0.05) increase in gelatin yield as the time duration of ultrasound treatment increased with UA6 giving the highest yield of 19.65%. Gel strength and viscosity of UAC and UA6 extracted gelatin samples were 627.53 and 502.16 g and 16.33 and 15.60 mPa.s, respectively. Longer duration of ultrasound treatment increased amino acids content of the extracted gelatin and UAC exhibited the highest content of amino acids. Progressive degradation of polypeptide chains was observed in the protein pattern of the extracted gelatin as the time duration of ultrasound extraction increased. Fourier transform infrared (FTIR) spectroscopy depicted loss of molecular order and degradation in UA6. Scanning electron microscopy (SEM) revealed protein aggregation and network formation in the gelatin samples with increasing time of ultrasound treatment. The study indicated that ultrasound assisted gelatin extraction using actinidin exhibited high yield with good quality gelatin. Full article
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Open AccessArticle Modification and Characterization of Fe3O4 Nanoparticles for Use in Adsorption of Alkaloids
Molecules 2018, 23(3), 562; doi:10.3390/molecules23030562
Received: 27 January 2018 / Revised: 23 February 2018 / Accepted: 27 February 2018 / Published: 2 March 2018
PDF Full-text (3648 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Magnetite (Fe3O4) is a ferromagnetic iron oxide of both Fe(II) and Fe(III), prepared by FeCl2 and FeCl3. XRD was used for the confirmation of Fe3O4. Via the modification of Tetraethyl orthosilicate (TEOS),
[...] Read more.
Magnetite (Fe3O4) is a ferromagnetic iron oxide of both Fe(II) and Fe(III), prepared by FeCl2 and FeCl3. XRD was used for the confirmation of Fe3O4. Via the modification of Tetraethyl orthosilicate (TEOS), (3-Aminopropyl)trimethoxysilane (APTMS), and Alginate (AA), Fe3O4@SiO2, Fe3O4@SiO2-NH2, and Fe3O4@SiO2-NH2-AA nanoparticles could be obtained, and IR and SEM were used for the characterizations. Alkaloid adsorption experiments exhibited that, as for Palmatine and Berberine, the most adsorption could be obtained at pH 8 when the adsorption time was 6 min. The adsorption percentage of Palmatine was 22.2%, and the adsorption percentage of Berberine was 23.6% at pH 8. Considering the effect of adsorption time on liquid phase system, the adsorption conditions of 8 min has been chosen when pH 7 was used. The adsorption percentage of Palmatine was 8.67%, and the adsorption percentage of Berberine was 7.25%. Considering the above conditions, pH 8 and the adsorption time of 8min could be chosen for further uses. Full article
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Open AccessArticle Isolation and Purification of Two Isoflavones from Hericium erinaceum Mycelium by High-Speed Counter-Current Chromatography
Molecules 2018, 23(3), 560; doi:10.3390/molecules23030560
Received: 28 January 2018 / Revised: 18 February 2018 / Accepted: 24 February 2018 / Published: 2 March 2018
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Abstract
High-speed counter-current chromatography (HSCCC) was used to separate and purify two isoflavones for the first time from Hericium erinaceum (H. erinaceum) mycelium using a two-phase solvent system composed of chloroform-dichloromethane-methanol-water (4:2:3:2, v/v/v/v). These two
[...] Read more.
High-speed counter-current chromatography (HSCCC) was used to separate and purify two isoflavones for the first time from Hericium erinaceum (H. erinaceum) mycelium using a two-phase solvent system composed of chloroform-dichloromethane-methanol-water (4:2:3:2, v/v/v/v). These two isoflavones were identified as genistein (4′,5,7-trihydroxyisoflavone, C15H10O5) and daidzein (4′,7-dihydroxyisoflavone, C15H10O4), using infrared spectroscopy (IR), electro-spary ionisation mass (ESI-MS), 1H-nuclear magnetic resonance (NMR) and 13C-NMR spectra. About 23 mg genistein with 95.7% purity and 18 mg daidzein with 97.3% purity were isolated from 150 mg ethanolic extract of H. erinaceum mycelium. The results demonstrated that HSCCC was a feasible method to separate and purify genistein and daidzein from H. erinaceum mycelium. Full article
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Open AccessArticle Fast Determination of Yttrium and Rare Earth Elements in Seawater by Inductively Coupled Plasma-Mass Spectrometry after Online Flow Injection Pretreatment
Molecules 2018, 23(2), 489; doi:10.3390/molecules23020489
Received: 29 November 2017 / Revised: 20 January 2018 / Accepted: 26 January 2018 / Published: 23 February 2018
PDF Full-text (3320 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
A method for daily monitoring of yttrium and rare earth elements (YREEs) in seawater using a cheap flow injection system online coupled to inductively coupled plasma-mass spectrometry is reported. Toyopearl AF Chelate 650M® resin permits separation and concentration of YREEs using a
[...] Read more.
A method for daily monitoring of yttrium and rare earth elements (YREEs) in seawater using a cheap flow injection system online coupled to inductively coupled plasma-mass spectrometry is reported. Toyopearl AF Chelate 650M® resin permits separation and concentration of YREEs using a simple external calibration. A running cycle consumed 6 mL sample and took 5.3 min, providing a throughput of 11 samples per hour. Linear ranges were up to 200 ng kg−1 except Tm (100 ng kg−1). The precision of the method was <6% (RSDs, n = 5), and recoveries ranged from 93% to 106%. Limits of detection (LODs) were in the range 0.002 ng kg−1 (Tm) to 0.078 ng kg−1 (Ce). Good agreement between YREEs concentrations in CASS-4 and SLEW-3 obtained in this work and results from other studies was observed. The proposed method was applied to the determination of YREEs in seawater from the Jiulong River Estuary and the Taiwan Strait. Full article
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Open AccessArticle Qualitative and Quantitative Phytochemical Analysis of Different Extracts from Thymus algeriensis Aerial Parts
Molecules 2018, 23(2), 463; doi:10.3390/molecules23020463
Received: 15 January 2018 / Revised: 9 February 2018 / Accepted: 17 February 2018 / Published: 20 February 2018
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Abstract
This study was performed to evaluate the metabolite recovery from different extraction methods applied to Thymus algeriensis aerial parts. A high-performance liquid chromatographic method using photodiode array detector with gradient elution has been developed and validated for the simultaneous estimation of different phenolic
[...] Read more.
This study was performed to evaluate the metabolite recovery from different extraction methods applied to Thymus algeriensis aerial parts. A high-performance liquid chromatographic method using photodiode array detector with gradient elution has been developed and validated for the simultaneous estimation of different phenolic compounds in the extracts and in their corresponding purified fractions. The experimental results show that microwave-assisted aqueous extraction for 15 min at 100 °C gave the most phenolics-enriched extract, reducing extraction time without degradation effects on bioactives. Sixteen compounds were identified in this extract, 11 phenolic compounds and five flavonoids, all known for their biological activities. Color analysis and determination of chlorophylls and carotenoids implemented the knowledge of the chemical profile of this plant. Full article
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Open AccessArticle A Comparative Assessment of Biological Effects and Chemical Profile of Italian Asphodeline lutea Extracts
Molecules 2018, 23(2), 461; doi:10.3390/molecules23020461
Received: 16 January 2018 / Revised: 16 February 2018 / Accepted: 17 February 2018 / Published: 19 February 2018
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Abstract
The present study aims to highlight the therapeutic potential of Asphodeline lutea (AL), a wild edible plant of the Mediterranean diet. Roots, aerial parts, and flowers of AL at two different phenological stages were collected from three locations in Italy. The
[...] Read more.
The present study aims to highlight the therapeutic potential of Asphodeline lutea (AL), a wild edible plant of the Mediterranean diet. Roots, aerial parts, and flowers of AL at two different phenological stages were collected from three locations in Italy. The inhibitory activities of extracts on strategic enzymes linked to human diseases were assessed. The antioxidant properties were evaluated in vitro, using six standard bioassays. The phenolic and anthraquinone profiles were also established using HPLC-PDA. Zinc, cadmium, lead, and copper contents were also determined. All the samples inhibited acetylcholinesterase (from 1.51 to 2.20 mg GALAEs/g extract), tyrosinase (from 7.50 to 25.3 mg KAEs/g extract), and α-amylase (from 0.37 to 0.51 mmol ACAEs/g extract). Aloe-emodin and physcion were present in all parts, while rhein was not detected. The phenolic profile and the heavy metals composition of specimens gathered from three different regions of Italy were different. It can be argued that samples collected near the street can contain higher concentrations of heavy metals. The experimental data confirm that the A. lutea species could be considered as a potential source of bioactive metabolites, and its consumption could play a positive and safe role in human health maintenance. Full article
Open AccessArticle A Novel Flavonoid Glucoside from the Fruits of Lycium ruthenicun
Molecules 2018, 23(2), 325; doi:10.3390/molecules23020325
Received: 3 January 2018 / Revised: 23 January 2018 / Accepted: 28 January 2018 / Published: 3 February 2018
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Abstract
A novel flavonoid glucoside, ruthenicunoid A (1), together with eight known substances, were isolated from the fruits of Lycium ruthenicun Murr. Their structures were elucidated by extensive spectroscopic data and chemical methods. Especially, the absolute configuration of glucose residue in 1
[...] Read more.
A novel flavonoid glucoside, ruthenicunoid A (1), together with eight known substances, were isolated from the fruits of Lycium ruthenicun Murr. Their structures were elucidated by extensive spectroscopic data and chemical methods. Especially, the absolute configuration of glucose residue in 1 was assigned by acid hydrolysis followed by derivatization and GC analysis. Biological evaluation towards Sirtuin 1 (SIRT1) found that compounds 1 and 2 exhibit inhibitory activity against SIRT1 in a concentration-dependent manner, indicating its potential on SIRT1-associated disorders. Full article
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Open AccessArticle Metabolite Profiling of 14 Wuyi Rock Tea Cultivars Using UPLC-QTOF MS and UPLC-QqQ MS Combined with Chemometrics
Molecules 2018, 23(2), 104; doi:10.3390/molecules23020104
Received: 25 December 2017 / Revised: 19 January 2018 / Accepted: 20 January 2018 / Published: 24 January 2018
PDF Full-text (1805 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Wuyi Rock tea, well-recognized for rich flavor and long-lasting fragrance, is a premium subcategory of oolong tea mainly produced in Wuyi Mountain and nearby regions of China. The quality of tea is mainly determined by the chemical constituents in the tea leaves. However,
[...] Read more.
Wuyi Rock tea, well-recognized for rich flavor and long-lasting fragrance, is a premium subcategory of oolong tea mainly produced in Wuyi Mountain and nearby regions of China. The quality of tea is mainly determined by the chemical constituents in the tea leaves. However, this remains underexplored for Wuyi Rock tea cultivars. In this study, we investigated the leaf metabolite profiles of 14 major Wuyi Rock tea cultivars grown in the same producing region using UPLC-QTOF MS and UPLC-QqQ MS with data processing via principal component analysis and cluster analysis. Relative quantitation of 49 major metabolites including flavan-3-ols, proanthocyanidins, flavonol glycosides, flavone glycosides, flavonone glycosides, phenolic acid derivatives, hydrolysable tannins, alkaloids and amino acids revealed clear variations between tea cultivars. In particular, catechins, kaempferol and quercetin derivatives were key metabolites responsible for cultivar discrimination. Information on the varietal differences in the levels of bioactive/functional metabolites, such as methylated catechins, flavonol glycosides and theanine, offers valuable insights to further explore the nutritional values and sensory qualities of Wuyi Rock tea. It also provides potential markers for tea plant fingerprinting and cultivar identification. Full article
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Open AccessArticle Characterization of Odors of Wood by Gas Chromatography-Olfactometry with Removal of Extractives as Attempt to Control Indoor Air Quality
Molecules 2018, 23(1), 203; doi:10.3390/molecules23010203
Received: 28 December 2017 / Revised: 12 January 2018 / Accepted: 15 January 2018 / Published: 18 January 2018
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Abstract
Indoor air quality problems are usually revealed by occupants’ complaints. In this study, the odors of two types of hardwood species, namely, Cathy poplar (Populus cathayana Rehd.) and rubberwood (Hevea brasiliensis) were selected and extracted with ethanol-toluene for removal of
[...] Read more.
Indoor air quality problems are usually revealed by occupants’ complaints. In this study, the odors of two types of hardwood species, namely, Cathy poplar (Populus cathayana Rehd.) and rubberwood (Hevea brasiliensis) were selected and extracted with ethanol-toluene for removal of extractives in an attempt to eliminate the odors. The odorous components of neat and extracted woods were identified by gas chromatography-mass spectrometry/olfactometry (GC-MS/O). The results showed that about 33 kinds of key volatile compounds (peak area above 0.2%) were detected from the GC-MS, and about 40 kinds of odorants were identified from GC-O. The components were concentrated between 15 and 33 min in GC-O, which was different from the concentration time in GC-MS. Lots of the odors identified from GC-O were unpleasant to humans, and variously described as stinky, burnt, leather, bug, herb, etc. These odors may originate from the thermos-oxidation of wood components. After extraction, the amounts and intensities of some odorants decreased, while some remained. However, the extraction process resulted in a benzene residue and led to increased benzene odor. Full article
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Open AccessArticle Determination of Branched-Chain Keto Acids in Serum and Muscles Using High Performance Liquid Chromatography-Quadrupole Time-of-Flight Mass Spectrometry
Molecules 2018, 23(1), 147; doi:10.3390/molecules23010147
Received: 4 December 2017 / Revised: 25 December 2017 / Accepted: 8 January 2018 / Published: 11 January 2018
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Abstract
Branched-chain keto acids (BCKAs) are derivatives from the first step in the metabolism of branched-chain amino acids (BCAAs) and can provide important information on animal health and disease. Here, a simple, reliable and effective method was developed for the determination of three BCKAs
[...] Read more.
Branched-chain keto acids (BCKAs) are derivatives from the first step in the metabolism of branched-chain amino acids (BCAAs) and can provide important information on animal health and disease. Here, a simple, reliable and effective method was developed for the determination of three BCKAs (α-ketoisocaproate, α-keto-β-methylvalerate and α-ketoisovalerate) in serum and muscle samples using high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF/MS). The samples were extracted using methanol and separated on a 1.8 μm Eclipse Plus C18 column within 10 min. The mobile phase was 10 mmol L−1 ammonium acetate aqueous solution and acetonitrile. The results showed that recoveries for the three BCKAs ranged from 78.4% to 114.3% with relative standard deviation (RSD) less than 9.7%. The limit of quantitation (LOQ) were 0.06~0.23 μmol L−1 and 0.09~0.27 nmol g−1 for serum and muscle samples, respectively. The proposed method can be applied to the determination of three BCKAs in animal serum and muscle samples. Full article
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