Åsmund RinnanUniversity of Copenhagen · Department of Food Science
Åsmund Rinnan
PhD
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113
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Introduction
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January 2009 - December 2012
January 2006 - present
Publications
Publications (113)
In Europe, the volume of waste wood is increasing. Waste wood can be reused, promoting circular economy and avoiding landfills. It can be used as a bioenergy feedstock reducing the use of fossil fuels, or be reused for producing new composite wood material. Only wood with hazardous substances needs to be disposed. To this aim waste wood samples wer...
Therapeutic proteins can be challenging to develop due to their complexity and the requirement of an acceptable formulation to ensure patient safety and efficacy. To date, there is no universal formulation development strategy that can identify optimal formulation conditions for all types of proteins in a fast and reliable manner. In this work, hig...
Fluorescence spectroscopy combined with parallel factor analysis (PARAFAC) has successfully been applied for the analysis of food and beverages containing numerous autofluorescent compounds. For the decomposition of such data, it is crucial to establish the PARAFAC model complexity. This is not a trivial matter, especially when the sample complexit...
Fava bean (Vicia faba L.) is a promising source of proteins and has a potential in industrial food applications. Processing of fava ingredients modifies proteins and their functional properties. This study established the complexity of the relationship between fava protein-associated reactions (protein hydrolysis and aggregation), physico-chemical...
Current analytical methods studying protein oxidation modifications require laborious sample preparation and chromatographic methods. Fluorescence spectroscopy is an alternative, as many protein oxidation products are fluorescent. However, the complexity of the signal causes misinterpretation and quantification errors if single emission spectra are...
The Tibetan Plateau (TP) is a sensitive alpine environment of global importance, being Asia's water tower, featuring vast ice masses and comprising the world's largest alpine grasslands. Intensified land-use and pronounced global climate change have put pressure on the environment of the TP. We studied the tempo-spatial variability of dissolved org...
Raw materials, whether it is from the animal or plant kingdom, undergo some kind of (domestic or industrial) processing prior to consumption [...]
The stability of oat-based drinks (OBD) is governed by its physicochemical properties. The measurement of these properties is often lengthy, laborious, and most often change the food matrix and introduce bias. Meanwhile, spectroscopic methods provide an in-situ rapid measurement of these properties. This study explored the use of several spectrosco...
Dissolved organic matter (DOM) is an important carbon and nutrient source for biota in streams and lakes. The composition and bioavailability of DOM depends on the formation in the catchments as well as on the biogeochemical and photochemical processing during its fluvial transport. Our study aimed to understand how the chemical composition of DOM...
The popular dairy alternative oat-based drink (OBD) is made from hydrolyzed oat. However, natural OBD is inherently unstable. OBD is commonly made from wholemeal oat and considered to have health benefits due to the β-glucan content. β-glucan is also a hydrocolloid with stabilizing potential and stored mainly in the bran. This study investigated th...
Proteins from various sources are widely used in the food industry due to their unique functional performances in food products. The functional properties of proteins are somehow dictated by their molecular characteristics, but the exact relationship is not fully understood. This review gives a tangible overview of the methods currently available f...
Increasing awareness of the ability to transform data into knowledge has steered more focus on data science within the educational system as well as the development of machine learning methods capable of handling complex problems with minimal or no human interaction. In principle, this raises the question on where human–computer interaction is supe...
Waste wood is becoming an appealing alternative material to virgin wood, and the main drivers are the increased demand for waste wood by the panel industry, the introduction of renewable energy policies, and the waste framework directive. In fact, the use of waste wood as a secondary resource is favored over both landfills and combustion. The best...
Considering the focus of the current European policy in promoting the reuse of waste products and increasing the share of renewable energies, waste wood is becoming an appealing resource rather than a product to dispose of. End-life waste wood products could be used for the production of panel board or as feedstock in combustion units. In this stud...
Plant-based drinks have increasingly become a regular product in the market. The range of raw materials available creates an abundance of products with various properties. For product optimization purposes, it is imperative to fully characterize the product, especially in terms of its physical stability. This review aims to summarize the techniques...
Scope:
Milk powder is commonly consumed throughout the world. However, advanced glycation end products (AGEs) will form in milk powder during thermal processing and long-term storage. We aimed to identify such compounds with potential as new urinary biomarkers of intake of heat-treated skimmed milk powder (HSMP).
Methods and results:
A parallel...
Background
Biomarkers of meat intake hold promise in clarifying the health effects of meat consumption, yet the differentiation between red and white meat remains a challenge. We measure meat intake objectively in a free-living population by applying a newly developed, three-step strategy for biomarker-based assessment of dietary intakes aimed to i...
Forward-focused molecular genetics is successfully framing DNA diversity and mapping primary gene functions. However, abandoning the classic Linnaean fingerprint link between the phenome and genome by suppressing gene interaction (pleiotropy), has resulted in a genome-to-phenome gap and poor utilization of molecular data. We demonstrate how to brid...
Permanganate oxidizable carbon (POXC) is a sub‐pool of labile soil organic carbon (SOC) and is defined as the carbon (C) that can be oxidized by potassium permanganate (KMnO4). Determination of the content of POXC has been used as a way to measure labile C and may be related to soil microbial biomass and particulate organic C. Fourier transform mid...
The use of front‐face fluorescence spectroscopy, and three‐way chemometric analysis (like PARAllel FACtor analysis, PARAFAC), has been successfully applied for the analysis of unpretreated samples in the fields of food and environmental analysis. It would be desirable to evaluate the potential of this approach for the analysis of any real sample in...
The effect of heat treatment on tryptophan front-face fluorescence emission spectra of reconstituted skim milk was assessed. Samples were heat-treated from 70 to 100 °C at six holding times. Treating milk at 90 and 100 °C induced a decrease in fluorescence intensity (∼37 and ∼47%) and a red shift (12 and 14 nm), respectively, with both parameters s...
Characterization of a protein’s conformational stability is a key step in the development of biotherapeutics, where protein unfolding leads to adverse properties, such as aggregation and loss of efficacy. Isothermal Chemical Denaturation (ICD) can be applied to determine chemical stability, aiming to identify the optimal solvent conditions, in term...
Background and aims:
Plant secondary metabolites play critical roles in plant stress tolerance and adaptation, and are known to be influenced by the environment and climate changes, yet the impacts and interactions of multiple climate change components are poorly understood, particularly under natural conditions.
Methods:
Accumulation of phenoli...
Therapeutic protein candidates should exhibit favorable properties that render them suitable to become drugs. Nevertheless, there are no well-established guidelines for the efficient selection of proteinaceous molecules with desired features during early-stage development. Such guidelines can emerge only from a large body of published research that...
In biotherapeutic protein research, an estimation of the studied protein’s thermal stability is one of the important steps that determine developability as a function of solvent conditions. Differential Scanning Fluorimetry (DSF) can be applied to measure thermal stability. Label-free DSF measures amino acid fluorescence as a function of temperatur...
Scope
Biomarkers of red meat may clarify the relationship between meat intake and health. Herein we discover biomarkers of intake for three types of meat with varying heme content and further evaluate candidate biomarkers for red and general meat based on defined validation criteria.
Methods and results
In a randomized cross‐over meal study health...
The development of a new protein drug typically starts with the design, expression and biophysical characterization of many different protein constructs. The initially high number of constructs is radically reduced to a few candidates that exhibit the desired biological and physicochemical properties. This process of protein expression and characte...
Spray-dried lactose consists of an amorphous component (10–20%) as well as the crystalline monohydrate form [1]. It is commonly used as a diluent in direct compression, mainly because of its better flow characteristics compared to pure crystalline lactose. The amorphous form is metastable and can relative easily crystallize, which will affect the f...
The structural forms of cyanidin and cyanidin 3-O-β-glucopyranoside (Cy3Glc) were investigated in the pH range from 0.4 to 13.5 for cyanidin and 0.4 to 13.2 for Cy3Glc. The 3-glucosidic substitution in cyanidin 3-O-β-glucopyranoside at pH values lower than 4.0 was manifested in a large hyperchromic effect, while at pH values higher than 4.0 had the...
Scattering effect is a really common physical phenomenon during near‐infrared analysis. It is an undesired variation in the spectral data due to a deviation of light from a straight trajectory into different paths. The nonlinearities introduced can be handled by using spectral preprocessing techniques. The situation is completely different when the...
Near-Infrared hyperspectral imaging (HSI-NIR) is a useful technique for pharmaceutical research and industry alike. It can provide important surface information such as the polymorphs quantification and its distribution over the tablet. Several chemometric tools are applied for this purpose, with MCR-ALS and PLS regression being the most common app...
Amaranth (Amarantus caudatus), quinoa (Chenopodium quinoa) and kañiwa (Chenopodium pallidicaule) are Andean grains that are gaining interest as nutritious gluten-free alternatives to conventional cereals. Near infrared (NIR) imaging was applied to extrudates containing 20, 35% and 50% amaranth, quinoa and kañiwa in order to study the spatial distri...
The increasing concern regarding energy supply and the consequent rapid growth of the pellet market lead to the need to classify the product quality. To this aim, chemical-physical parameters and qualitative attributes are defined by the technical standards EN ISO 17,225 to classify the quality of biofuels, but, while the former can be determined b...
Interval based chemometric algorithms have proven to be very powerful for spectral alignments, spectral regressions and spectral classifications. The interval-based methods may not only improve the performance, but also reduce model complexity and enhance the spectral interpretation. Extended Canonical Variate Analysis (ECVA) is a powerful method f...
The aquatic toxicity of insecticides like the pyrethroids have been discussed intensively over the recent years especially in relation to risk assessment and how seasonality may or may not affect the sensitivity of non-target organisms. To address this issue, the crustacean Gammarus pulex was collected once a month for 16 months and acclimated to 1...
Understanding interaction mechanisms between polycyclic aromatic hydrocarbons (PAHs) and soil-washing agents can help in choosing efficient agents which are able to desorb and solubilize PAHs. This study investigated interaction mechanisms between pyrene and four washing agents including: two dissolved organic matters (DOM) F-DOM and CRC-DOM, and t...
The use of woodchip, and biofuels in general, is a fundamental step towards the transition from fossil fuel to renewable energy. The growth in the demand for wood fuels and the inherent variability in the properties of woody material lead to the need to verify its quality. EN ISO 17225-4 divides woodchip in different quality classes according to ch...
Structural modifications of pork proteins under an assortment of industrial heat treatments were studied. With raw as control, assorted heat treatments involved were 58, 80, 98 and 160 °C for 72 min, 118 °C for 8 min and 58 °C for 17 h, resembling most common processing procedures. Protein denaturation, surface protein hydrophobicity state and prot...
We have performed a benchmark to evaluate the relative success of using small angle X-ray scattering (SAXS) data as constrains (hereafter referred to SAXSconstrain) in the RosettaDock protocol (hereafter referred to RosettaDockSAXS). For this purpose, we have chosen 38 protein complex structures, calculated the theoretical SAXS data for the protein...
Foodomics is a newly developed discipline that has become more and more important in the last years where focus on food and the understanding of food systems has increased significantly. In this review, the flow of a typical foodomics study will be followed with a focus on the core components, where chemometric expertise is more deeply involved. Th...
The pellet energy market is expanding rapidly in Europe and also at the global level, in response to the continuously growing energy demand and because of the high degree of reliability, the easy handling, and the cheap and simple logistics, in comparison to other solid biomasses. The fast growth of this market has highlighted the problem of produc...
The combination of NIR spectroscopy and chemometrics is a powerful correlation method for predicting the chemical constituents in biological matrices, such as the glucose and xylose content of straw. However, difficulties arise when it comes to predicting enzymatic glucose and xylose release potential, which is matrix dependent. Further complicatio...
This study is based on a two-stage approach. First, an experimental design was used in the optimization for the photodegradation of Rhodamine B dye (RhB) with Ag-, S-, N-doped TiO2, with the concentration of RhB, pH and reaction time as optimization parameters. Second, the degradation rates were estimated through a kinetic study of RhB at the optim...
Biogenic volatile organic compounds are reactive gases that can contribute to atmospheric aerosol formation. Their emission from vegetation is dependent on temperature and light availability. Increasing temperature, changing cloud cover and shifting composition of vegetation communities can be expected to affect emissions in the Arctic, where the o...
The world of analytical instruments is continuously expanding. Complex and hyper-sensitive, as well as selective, analytical instruments such as hyphenated systems have become available, not only to researchers, but also to industrial users in quality control and high throughput environments. Many of these advanced instruments have become more avai...
In order to speed up the breeding of orange carrots for high carotenoid content it is imperative to develop a fast and non-destructive technique. 332 roots from 86 carrot varieties grown in 2014 at the experimental farm in Høje Taastrup (DK) form the basis of this study. All roots were measured by Raman spectroscopy. The carotenoid content of the v...
The presence of bone particles, and hence the calcium content, is a key quality parameter for mechanically separated poultry meat (MSM). A method for fast at-line monitoring of the calcium content in MSM during production is therefore requested by the industry. Laser-induced breakdown spectroscopy (LIBS) is an interesting technique in this regard b...
In Multivariate Statistical Process Control, when a fault is expected or detected in the process, contribution plots are essential for operators and optimization engineers in identifying those process variables that were affected by or might be the cause of the fault. The traditional way of interpreting a contribution plot is to examine the largest...
Complementary methodologies were used to analyse the pressure-induced modification and functionality of myofibrillar proteins from pork meat pressurised at 200, 400, 600, or 800 MPa (10 min, 5 or 20 °C). Pressure at 400 MPa was found to be the threshold for loss of solubility, and the structural proteins, myosin and actin, lost their native solubil...
Time-domain nuclear magnetic resonance (TD-NMR) was explored as a rapid method for simultaneous assessment of the quality parameters in commercial diesel samples (B5 diesel-biodiesel blend). A principal component analysis (PCA) obtained with the relaxation decay curves revealed tight and well-separated clusters, allowing discrimination of the diese...
Many pharmaceuticals include highly potent active pharmaceutical ingredients (API), which only require a small dosage to obtain the desired therapeutic effect. This leads to a challenge for quantification of the API using process analytical technology, since the standard nondestructive
measurement technique, near-infrared spectroscopy, is not able...
Amaranth (Amarantus caudatus), quinoa (Chenopodium quinoa) and kañiwa (Chenopodium pallidicaule) are grains that have been cultivated and consumed for centuries in Latin America. These grains are regarded as good gluten-free sources of protein, fibre and bioactive compounds. A co-rotating twin screw extruder was used to obtain corn-based extrudates...
Accurate thermometry at micro- and nano-scales is essential in many nano-biotechnological applications. The nano-thermometers introduced in this paper are composed of labeled molecular beacons (MBs) comprising gold nano particles (AuNPs) on which, depending on application, many MBs of one or more types are immobilized. In this design, three differe...
Pre-processing is nothing without scattering. If your spectra are from good aqueous solutions with only fully dissolved particles, there is no light scattering, and as such, pre-processing is not necessary. However, and this is important, scatter could also be defined as unwanted variation in your data with a different source than light scatter. So...
Variable selection is important in fine tuning partial least squares (PLS) regression models. This study introduces a novel variable weighting method for PLS regression where the univariate response variable y is used to guide the variable weighting in a recursive manner—the method is called recursive weighted PLS or just rPLS. The method iterative...
This chapter gives an introduction to the world of multiway chemometrics, as well as showing how it can be applied to different types of multidimensional data related to food science and technology. It describes how information can be extracted from multiway data in a meaningful way by keeping the multiway dimensionality, or even by adding a new di...
There is a growing interest in studying the nutritional effects of complex diets. For such studies measurement of dietary compliance is a challenge since the currently available compliance markers only cover limited aspects of a diet. In the present study, an untargeted metabolomics approach was used to develop a compliance measure in urine to dist...
Nutritional metabolomics [1,2] and foodomics [3,4] are new research areas that use the powerful “omics” technologies to explore food and nutrition systems. In foodomics studies mass spectrometry (MS) techniques are considered most important due to their extremely high sensitivity and selectivity, but also nuclear magnetic resonance (NMR) spectrosco...
This chapter gives an introduction to the world of multiway chemometrics, as well as showing how it can be applied to different types of multidimensional data related to food science and technology. It describes how information can be extracted from multiway data in a meaningful way by keeping the multiway dimensionality, or even by adding a new di...
This chapter gives an introduction to the world of multiway chemometrics, as well as showing how it can be applied to different types of multidimensional data related to food science and technology. It also describes how information can be extracted from multiway data in a meaningful way by keeping the multiway dimensionality, or even by adding a n...
An untargeted metabolomics approach has been applied to discover and identify exposure markers in urine for nine Nordic meals. A cross-over meal study was carried out in 17 subjects. The meals included a Pie, a Soup and a Barleyotto (pearl barley based risotto), each prepared with three protein sources; meat, fish or vegetarian. Urine samples were...
The assumptions made to estimate confidence limits for control charts in MSPC based on asymptotic statistical distributions do not always hold. This mismatch can cause the limits to be unrealistic in both an optimistic (limits estimated too wide for the process under monitoring, not detecting true process upsets) and pessimistic (too narrow, raisin...
Trees can improve air quality by capturing particles in their foliage. We determined the particle capture efficiencies of coniferous Pinus sylvestris and three broadleaved species: Betula pendula, Betula pubescens and Tilia vulgaris in a wind tunnel using NaCl particles. The importance of leaf surface structure, physiology and moderate soil drought...
Near-infrared transmission (NIT) spectroscopy, with high-performance liquid chromatography as reference method, was used to study the variation of the active pharmaceutical ingredient (API), escitalopram, in five tablet batches (4%-12%, w/w) manufactured by direct compression. This study investigates the influence of sample orientation, powder segr...
Principal component analysis (PCA) is widely used as a tool in (exploratory) data investigations for many different research areas such as analytical chemistry, food- and pharmaceutical-research, and multivariate statistical process control. Despite its popularity, not many results have been reported thus far on how to calculate reliable confidence...
When predicting the chemical composition of food samples from near-infrared spectroscopy using partial least squares regression, deep knowledge of the origin of the information is not present. We are aiming at opening a Pandora's box of how the prediction of protein proceeds in a unique set of chemically diverse barley mutant samples. An external v...
Background and aims
Mountain birch forests dominate in the Subarctic but little is known of their non-methane biogenic volatile organic compound (BVOC) emissions. The dwarf shrubs Empetrum hermaphroditum, Vaccinium myrtillus and Vaccinium uliginosum co-dominate in the forest floors of these forests. The abundance of these three dwarf shrubs relativ...
The effect of using representative calibration sets with fewer samples was explored and discussed. The data set consisted of near-infrared reflectance (NIR) spectra of grass samples. The grass samples were taken from different years covering a wide range of species and cultivars. Partial least squares regression (PISR), a chemometric method, has be...
The extremely high correlation between variables that is an inherent feature of near infrared (NIR) spectroscopic data makes multivariate projection methods suitable as data analytical tools. Projection-based
methods such as principal component analysis (PCA)1, partial least squares (PLS)2 regression and PLSdiscriminant analysis (PLS-DA)3 or soft i...
Near infrared (NIR) spectra contain holographic information about the samples being investigated (Figure 1).
The same information is repeated again and again and the spectral variables are thus highly correlated (colinear data structure). For this type of data, multivariate projection methods are very suitable both for
supervised and unsupervised e...
In a cultivation experiment 18 different Amaranthus genotypes were cultivated in parallel in Argentina, Mexico, Spain and two different locations in the Czech Republic. The ripe seeds were analysed for their content of 11 polyphenols and the variations among genotype, species and location were analysed by principal component analysis (PCA). The fla...
Rinnan, Riikka Rinnan, Asmund Faubert, Patrick Tiiva, Paivi Holopainen, Jarmo K. Michelsen, Anders
The prediction of cashew apple quality by non-destructive analysis using a portable (100 g), near infrared spectrophotometer has been investigated. The quality parameters of interest were: soluble solids content (SSC), titratable acidity (TA), SSC/TA ratio and ascorbic acid (AA). Partial least squares calibration models were developed using the spe...
Biogenic volatile organic compound (BVOC) emissions are important in the global atmospheric chemistry and their feedbacks to global warming are uncertain. Global warming is expected to trigger vegetation changes and water table drawdown in boreal peatlands, such changes have only been investigated on isoprene emission but never on other BVOCs. We a...