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Article ; Online: Electrochemical and Colorimetric Nanosensors for Detection of Heavy Metal Ions: A Review.

Fakayode, Sayo O / Walgama, Charuksha / Fernand Narcisse, Vivian E / Grant, Cidya

2023 Volume 23, Issue 22

Abstract: Human exposure to acute and chronic levels of heavy metal ions are linked with various health issues, including reduced children's intelligence quotients, developmental challenges, cancers, hypertension, immune system compromises, cytotoxicity, oxidative ...

Abstract	Human exposure to acute and chronic levels of heavy metal ions are linked with various health issues, including reduced children's intelligence quotients, developmental challenges, cancers, hypertension, immune system compromises, cytotoxicity, oxidative cellular damage, and neurological disorders, among other health challenges. The potential environmental HMI contaminations, the biomagnification of heavy metal ions along food chains, and the associated risk factors of heavy metal ions on public health safety are a global concern of top priority. Hence, developing low-cost analytical protocols capable of rapid, selective, sensitive, and accurate detection of heavy metal ions in environmental samples and consumable products is of global public health interest. Conventional flame atomic absorption spectroscopy, graphite furnace atomic absorption spectroscopy, atomic emission spectroscopy, inductively coupled plasma-optical emission spectroscopy, inductively coupled plasma-mass spectroscopy, X-ray diffractometry, and X-ray fluorescence have been well-developed for HMIs and trace element analysis with excellent but varying degrees of sensitivity, selectivity, and accuracy. In addition to high instrumental running and maintenance costs and specialized personnel training, these instruments are not portable, limiting their practicality for on-demand, in situ, field study, or point-of-need HMI detection. Increases in the use of electrochemical and colorimetric techniques for heavy metal ion detections arise because of portable instrumentation, high sensitivity and selectivity, cost-effectiveness, small size requirements, rapidity, and visual detection of colorimetric nanosensors that facilitate on-demand, in situ, and field heavy metal ion detections. This review highlights the new approach to low-cost, rapid, selective, sensitive, and accurate detection of heavy metal ions in ecosystems (soil, water, air) and consumable products. Specifically, the review highlights low-cost, portable, and recent advances in smartphone-operated screen-printed electrodes (SPEs), plastic chip SPES, and carbon fiber paper-based nanosensors for environmental heavy metal ion detection. In addition, the review highlights recent advances in colorimetric nanosensors for heavy metal ion detection requirements. The review provides the advantages of electrochemical and optical nanosensors over the conventional methods of HMI analyses. The review further provides in-depth coverage of the detection of arsenic (As), cadmium (Cd), chromium (Cr), copper (Cu), mercury (Hg), manganese (Mn), nickel (Ni), lead (Pb), and zinc (Zn) ions in the ecosystem, with emphasis on environmental and biological samples. In addition, the review discusses the advantages and challenges of the current electrochemical and colorimetric nanosensors protocol for heavy metal ion detection. It provides insight into the future directions in the use of the electrochemical and colorimetric nanosensors protocol for heavy metal ion detection.
MeSH term(s)	Child ; Humans ; Ecosystem ; Colorimetry ; Metals, Heavy/analysis ; Cadmium/analysis ; Mercury/analysis ; Water/chemistry ; Ions/chemistry
Chemical Substances	Metals, Heavy ; Cadmium (00BH33GNGH) ; Mercury (FXS1BY2PGL) ; Water (059QF0KO0R) ; Ions
Language	English
Publishing date	2023-11-09
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2052857-7
ISSN	1424-8220 ; 1424-8220
ISSN (online)	1424-8220
ISSN	1424-8220
DOI	10.3390/s23229080
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Rapid screening and multicomponent quantifications of active components of oral syrup over-the-counter medications by Raman and UV-visible spectroscopy and multivariate regression analysis.

Fakayode, Sayo O / Bolton, Brinkley / Dassow, Bailey / Galvez, Kairy / Chohan, Harmeet

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

2023 Volume 305, Page(s) 123447

Abstract: Over-the-counter medications (OTCMs) are frequently recommended as a first-line treatment for common ailments, diseases, and illnesses. Oral liquid dosage forms are advantageous for rapid absorption with no dissolution time and are easier for pediatric ... ...

Abstract	Over-the-counter medications (OTCMs) are frequently recommended as a first-line treatment for common ailments, diseases, and illnesses. Oral liquid dosage forms are advantageous for rapid absorption with no dissolution time and are easier for pediatric and geriatric consumers to swallow. The production of these medicines by pharmaceutical industry makes them readily available to the public. Although the US Food and Drug Administration (FDA) provides strict guidelines to drug manufacturers of these products; the risk of counterfeiting is a global issue. This can lead to several adverse effects and health issues. Here, we report a fast screening and quality assurance method using Raman and UV-visible spectroscopy combined with Principal Component Analysis (PCA) and Partial-Least-Square (PLS) regression of commonly used OTCM oral syrups. PLS regressions of UV-visible absorption spectra were used for multicomponent quantifications of the active component (acetaminophen, guaifenesin, dextromethorphan HBr, and phenylephrine HCl) concentrations of OTMCs in flavored (sugar or sugar-free) oral syrups. Raman and UV-visible spectral responses varied based on the type and concentration of the active component analyzed. PCA of the spectral data provided pattern recognition of the oral syrup OTCM. The developed PLS method demonstrated good linearity with an R
MeSH term(s)	Humans ; Child ; Aged ; Guaifenesin ; Spectrophotometry, Ultraviolet ; Acetaminophen ; Multivariate Analysis ; Pharmaceutical Preparations/analysis ; Least-Squares Analysis ; Spectrum Analysis, Raman/methods
Chemical Substances	Guaifenesin (495W7451VQ) ; Acetaminophen (362O9ITL9D) ; Pharmaceutical Preparations
Language	English
Publishing date	2023-09-21
Publishing country	England
Document type	Journal Article
ZDB-ID	210413-1
ISSN	1873-3557 ; 0370-8322 ; 0584-8539 ; 1386-1425
ISSN (online)	1873-3557
ISSN	0370-8322 ; 0584-8539 ; 1386-1425
DOI	10.1016/j.saa.2023.123447
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Article ; Online: Guided-inquiry laboratory experiments in the analytical chemistry laboratory curriculum.

Fakayode, Sayo O

Analytical and bioanalytical chemistry

2014 Volume 406, Issue 5, Page(s) 1267–1271

Language	English
Publishing date	2014-02
Publishing country	Germany
Document type	Journal Article
ZDB-ID	201093-8
ISSN	1618-2650 ; 0016-1152 ; 0372-7920
ISSN (online)	1618-2650
ISSN	0016-1152 ; 0372-7920
DOI	10.1007/s00216-013-7515-8
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Article ; Online: Investigation of the binding and simultaneous quantifications of propanil and bromoxynil herbicide concentrations in human serum albumin.

Appah, Eric / Elzey, Brianda / Fakayode, Sayo O

Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes

2017 Volume 52, Issue 7, Page(s) 495–504

Abstract: This study reported the use of UV-visible and fluorescence spectroscopy and partial-least-square (PLS) multivariate regression for accurate and simultaneous quantifications of two widely used herbicides, propanil, 3',4'-dichloropropionanilide (PPL) and ... ...

Abstract	This study reported the use of UV-visible and fluorescence spectroscopy and partial-least-square (PLS) multivariate regression for accurate and simultaneous quantifications of two widely used herbicides, propanil, 3',4'-dichloropropionanilide (PPL) and bromoxynil, 3,5-dibromo-4-hydroxybenzonitrile (BXL) in human serum albumin (HSA) at physiological conditions. The binding affinity and thermodynamic properties of PPL-HSA and BXL-HSA complexes were also investigated. Partial-least-square (PLS) regression was used to collate the variability in the absorption or emission spectra of PPL-HSA and BXL-HSA complexes with PPL and/or BXL concentrations in HSA samples. The binding constants of 7.66× 10
MeSH term(s)	Herbicides/metabolism ; Humans ; Least-Squares Analysis ; Limit of Detection ; Nitriles/metabolism ; Propanil/metabolism ; Protein Binding ; Sensitivity and Specificity ; Serum Albumin/metabolism ; Spectrometry, Fluorescence ; Spectrophotometry, Ultraviolet ; Temperature ; Thermodynamics
Chemical Substances	Herbicides ; Nitriles ; Serum Albumin ; Propanil (709-98-8) ; bromoxynil (J46EK95K0P)
Language	English
Publishing date	2017-07-03
Publishing country	England
Document type	Journal Article
ZDB-ID	197072-0
ISSN	1532-4109 ; 0360-1234
ISSN (online)	1532-4109
ISSN	0360-1234
DOI	10.1080/03601234.2017.1303323
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Article ; Online: Virtual screening, molecular dynamics, density functional theory and quantitative structure activity relationship studies to design peroxisome proliferator-activated receptor-γ agonists as anti-diabetic drugs.

Ahmed, Sinthyia / Islam, Nazrul / Shahinozzaman, Md / Fakayode, Sayo O / Afrin, Nadia / Halim, Mohammad A

Journal of biomolecular structure & dynamics

2020 Volume 39, Issue 2, Page(s) 728–742

Abstract: Type 2 diabetes (T2D) is generally characterized by elevated blood glucose levels, insulin resistance, and relative lack of insulin; however, insulin resistance is the predominant risk factor. Hence, the use of insulin sensitizer drugs to increase ... ...

Abstract	Type 2 diabetes (T2D) is generally characterized by elevated blood glucose levels, insulin resistance, and relative lack of insulin; however, insulin resistance is the predominant risk factor. Hence, the use of insulin sensitizer drugs to increase insulin sensitivity has gained immense interest as an attractive treatment option for T2D and their major target is a nuclear receptor PPAR-γ (peroxisome proliferator-activated receptor-γ). A wide range of synthetic insulin sensitizers such as thiazolidinedione act as PPAR-γ agonists thereby enhancing insulin action and improving hyperglycemia in patients. Nonetheless, they pose severe adverse effects for human, necessitating an emergent need to develop effective insulin sensitizer drugs. Herein, virtual screening of 10,000 ligands is performed and the best five ligands are identified. MET364, ILE341, CYS285, ALA292, PHE282, and LEU330 residues are found to play an important role in ligand binding. It is shown from the molecular dynamics simulations results of the top-ranked ligands that increased numbers of hydrogen bonds are formed with PPAR-γ catalytic residues. Quantum chemical calculations reveal that all the best ligands can demonstrate good thermodynamic stability and pharmacokinetic properties. Partial-least-square (PLS) regression of quantitative structural activity relationship (QSAR) is utilized to model and predict the binding energy for ligands. Principal component analysis is further explored for the best ligands' QSAR pattern recognition. Importantly, the predicted values of the binding energy of the potential ligands by the PLS regression is favourably compared with the values of binding energy obtained from molecular docking with incredible high accuracy of 98%.
MeSH term(s)	Density Functional Theory ; Diabetes Mellitus, Type 2/drug therapy ; Humans ; Ligands ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; PPAR gamma ; Pharmaceutical Preparations ; Quantitative Structure-Activity Relationship
Chemical Substances	Ligands ; PPAR gamma ; Pharmaceutical Preparations
Language	English
Publishing date	2020-01-25
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2020.1714482
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Article ; Online: Analyses of polycyclic aromatic hydrocarbon (PAH) and chiral-PAH analogues-methyl-β-cyclodextrin guest-host inclusion complexes by fluorescence spectrophotometry and multivariate regression analysis.

Greene, LaVana / Elzey, Brianda / Franklin, Mariah / Fakayode, Sayo O

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

2017 Volume 174, Page(s) 316–325

Abstract: The negative health impact of polycyclic aromatic hydrocarbons (PAHs) and differences in pharmacological activity of enantiomers of chiral molecules in humans highlights the need for analysis of PAHs and their chiral analogue molecules in humans. Herein, ...

Abstract	The negative health impact of polycyclic aromatic hydrocarbons (PAHs) and differences in pharmacological activity of enantiomers of chiral molecules in humans highlights the need for analysis of PAHs and their chiral analogue molecules in humans. Herein, the first use of cyclodextrin guest-host inclusion complexation, fluorescence spectrophotometry, and chemometric approach to PAH (anthracene) and chiral-PAH analogue derivatives (1-(9-anthryl)-2,2,2-triflouroethanol (TFE)) analyses are reported. The binding constants (K
MeSH term(s)	Anthracenes/chemistry ; Calibration ; Kinetics ; Least-Squares Analysis ; Multivariate Analysis ; Polycyclic Aromatic Hydrocarbons/analysis ; Regression Analysis ; Spectrometry, Fluorescence ; Thermodynamics ; beta-Cyclodextrins/analysis
Chemical Substances	Anthracenes ; Polycyclic Aromatic Hydrocarbons ; beta-Cyclodextrins ; methyl-beta-cyclodextrin ; anthracene (EH46A1TLD7)
Language	English
Publishing date	2017-03-05
Publishing country	England
Document type	Journal Article
ZDB-ID	210413-1
ISSN	1873-3557 ; 0370-8322 ; 0584-8539 ; 1386-1425
ISSN (online)	1873-3557
ISSN	0370-8322 ; 0584-8539 ; 1386-1425
DOI	10.1016/j.saa.2016.11.047
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Article: Detection, Purity Analysis, and Quality Assurance of Adulterated Peanut (<em>Arachis hypogaea</em>) Oils

Smithson, Shayla C / Fakayode, Boluwatife D / Henderson, Siera / Nguyen, John / Fakayode, Sayo O

Foods. 2018 July 31, v. 7, no. 8

2018

Abstract: The intake of adulterated and unhealthy oils and trans-fats in the human diet has had negative health repercussions, including cardiovascular disease, causing millions of deaths annually. Sadly, a significant percentage of all consumable products ... ...

Abstract	The intake of adulterated and unhealthy oils and trans-fats in the human diet has had negative health repercussions, including cardiovascular disease, causing millions of deaths annually. Sadly, a significant percentage of all consumable products including edible oils are neither screened nor monitored for quality control for various reasons. The prospective intake of adulterated oils and the associated health impacts on consumers is a significant public health safety concern, necessitating the need for quality assurance checks of edible oils. This study reports a simple, fast, sensitive, accurate, and low-cost chemometric approach to the purity analysis of highly refined peanut oils (HRPO) that were adulterated either with vegetable oil (VO), canola oil (CO), or almond oil (AO) for food quality assurance purposes. The Fourier transform infrared spectra of the pure oils and adulterated HRPO samples were measured and subjected to a partial-least-square (PLS) regression analysis. The obtained PLS regression figures-of-merit were incredible, with remarkable linearity (R2 = 0.994191 or better). The results of the score plots of the PLS regressions illustrate pattern recognition of the adulterated HRPO samples. Importantly, the PLS regressions accurately determined percent compositions of adulterated HRPOs, with an overall root-mean-square-relative-percent-error of 5.53% and a limit-of-detection as low as 0.02% (wt/wt). The developed PLS regressions continued to predict the compositions of newly prepared adulterated HRPOs over a period of two months, with incredible accuracy without the need for re-calibration. The accuracy, sensitivity, and robustness of the protocol make it desirable and potentially adoptable by health departments and local enforcement agencies for fast screening and quality assurance of consumable products.
Keywords	Arachis hypogaea ; Fourier transform infrared spectroscopy ; adulterated foods ; almond oil ; canola oil ; cardiovascular diseases ; chemometrics ; cooking fats and oils ; detection limit ; food quality ; human nutrition ; least squares ; peanuts ; public health ; quality control ; screening ; trans fatty acids ; vegetable oil
Language	English
Dates of publication	2018-0731
Publishing place	Multidisciplinary Digital Publishing Institute
Document type	Article
ZDB-ID	2704223-6
ISSN	2304-8158
ISSN	2304-8158
DOI	10.3390/foods7080122
Database	NAL-Catalogue (AGRICOLA)

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Article: Detection, Purity Analysis, and Quality Assurance of Adulterated Peanut (Arachis Hypogaea) Oils.

Smithson, Shayla C / Fakayode, Boluwatife D / Henderson, Siera / Nguyen, John / Fakayode, Sayo O

Foods (Basel, Switzerland)

2018 Volume 7, Issue 8

Abstract	The intake of adulterated and unhealthy oils and trans-fats in the human diet has had negative health repercussions, including cardiovascular disease, causing millions of deaths annually. Sadly, a significant percentage of all consumable products including edible oils are neither screened nor monitored for quality control for various reasons. The prospective intake of adulterated oils and the associated health impacts on consumers is a significant public health safety concern, necessitating the need for quality assurance checks of edible oils. This study reports a simple, fast, sensitive, accurate, and low-cost chemometric approach to the purity analysis of highly refined peanut oils (HRPO) that were adulterated either with vegetable oil (VO), canola oil (CO), or almond oil (AO) for food quality assurance purposes. The Fourier transform infrared spectra of the pure oils and adulterated HRPO samples were measured and subjected to a partial-least-square (PLS) regression analysis. The obtained PLS regression figures-of-merit were incredible, with remarkable linearity (
Language	English
Publishing date	2018-07-31
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2704223-6
ISSN	2304-8158
ISSN	2304-8158
DOI	10.3390/foods7080122
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Article ; Online: Determination of boiling point of petrochemicals by gas chromatography-mass spectrometry and multivariate regression analysis of structural activity relationship.

Fakayode, Sayo O / Mitchell, Breanna S / Pollard, David A

Talanta

2014 Volume 126, Page(s) 151–156

Abstract: Accurate understanding of analyte boiling points (BP) is of critical importance in gas chromatographic (GC) separation and crude oil refinery operation in petrochemical industries. This study reported the first combined use of GC separation and partial- ... ...

Abstract	Accurate understanding of analyte boiling points (BP) is of critical importance in gas chromatographic (GC) separation and crude oil refinery operation in petrochemical industries. This study reported the first combined use of GC separation and partial-least-square (PLS1) multivariate regression analysis of petrochemical structural activity relationship (SAR) for accurate BP determination of two commercially available (D3710 and MA VHP) calibration gas mix samples. The results of the BP determination using PLS1 multivariate regression were further compared with the results of traditional simulated distillation method of BP determination. The developed PLS1 regression was able to correctly predict analytes BP in D3710 and MA VHP calibration gas mix samples, with a root-mean-square-%-relative-error (RMS%RE) of 6.4%, and 10.8% respectively. In contrast, the overall RMS%RE of 32.9% and 40.4%, respectively obtained for BP determination in D3710 and MA VHP using a traditional simulated distillation method were approximately four times larger than the corresponding RMS%RE of BP prediction using MRA, demonstrating the better predictive ability of MRA. The reported method is rapid, robust, and promising, and can be potentially used routinely for fast analysis, pattern recognition, and analyte BP determination in petrochemical industries.
Language	English
Publishing date	2014-08
Publishing country	Netherlands
Document type	Journal Article ; Research Support, U.S. Gov't, Non-P.H.S.
ZDB-ID	1500969-5
ISSN	1873-3573 ; 0039-9140
ISSN (online)	1873-3573
ISSN	0039-9140
DOI	10.1016/j.talanta.2014.03.037
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Article ; Online: Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and

Banerjee, Souvik / Yadav, Shalini / Banerjee, Sourav / Fakayode, Sayo O / Parvathareddy, Jyothi / Reichard, Walter / Surendranathan, Surekha / Mahmud, Foyez / Whatcott, Ryan / Thammathong, Joshua / Meibohm, Bernd / Miller, Duane D / Jonsson, Colleen B / Dubey, Kshatresh Dutta

Journal of chemical information and modeling

2021 Volume 61, Issue 11, Page(s) 5469–5483

Abstract: COVID-19, an acute viral pneumonia, has emerged as a devastating pandemic. Drug repurposing allows researchers to find different indications of FDA-approved or investigational drugs. In this current study, a sequence of pharmacophore and molecular ... ...

Abstract	COVID-19, an acute viral pneumonia, has emerged as a devastating pandemic. Drug repurposing allows researchers to find different indications of FDA-approved or investigational drugs. In this current study, a sequence of pharmacophore and molecular modeling-based screening against COVID-19 M
MeSH term(s)	Antiviral Agents/pharmacology ; COVID-19 ; Coronavirus 3C Proteases ; Drug Repositioning ; Humans ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Protease Inhibitors ; Pyrimidines ; SARS-CoV-2
Chemical Substances	Antiviral Agents ; Protease Inhibitors ; Pyrimidines ; Coronavirus 3C Proteases (EC 3.4.22.28) ; nilotinib (F41401512X)
Language	English
Publishing date	2021-10-20
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	190019-5
ISSN	1549-960X ; 0095-2338
ISSN (online)	1549-960X
ISSN	0095-2338
DOI	10.1021/acs.jcim.1c00524
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