Panel performance: Modelling variation in sensory profiling data by multiway analysis

Sensory profiling data is essentially three-way data where samples, attributes and assessors are the three dimensions of information. It is common practice to average over the assessors and focus the analysis on the relations between samples and sensory descriptors. However, since assessor reliability can not be controlled in advance, posthoc analysis on assessors is needed to assess performance of the individual and at the panel level. For this purpose, multiway analysis is a very efficient data method as it provides information on samples, attributes and assessors, simultaneously [1]. PARAllel FACtor (PARAFAC) analysis is one of the most used multiway methods in sensory analysis [2][3]. It is based on two basic assumptions: 1) there exist latent variables behind the identified sensory descriptors describing the variation among the products; 2) assessors have different sensitivities to these common latent variables. However, assessors may perceive the factors differently, so the assumption of “common latent variables” becomes questionable. This may happen when the panel is not well trained and/or the samples present subtle differences difficult to detect. In this work a more flexible approach to the analysis of sensory data is presented. Specifically, the work proposes to use PARAFAC2 modelling [4] as it allows each assessor to have an individual idiosyncratic perceptive model. The data was obtained from a descriptive sensory analysis of organic milk samples. Results show that PARAFAC2 is very useful to highlight disagreement in the panel on specific attributes and to detect outlying assessors. In addition, by using PARAFAC2 an improvement in the description of samples is also achieved. On the other hand, PARAFAC has to be preferred to PARAFAC2 when a good panel agreement is observed, since it provides more stable solutions and no further gain in information is obtained from PARAFAC2. Finally, the work proposes an index to measure the performance of each assessor based on individual sensitivity and reproducibility

Composition of volatile compounds in bovine milk heat treated by instant infusion pasteurization and correlation to sensory analysis

Volatile compounds in skim milk and nonstandardised milk subjected to instant infusion pasteurisation at 80°C, 100°C and 120°C were compared with raw milk, high temperature short time pasteurised milk and milk pasteurised at 85°C/30 s. The composition of volatile compounds differed between infusion pasteurisation treated samples and the reference pasteurisations. The sensory properties of skim milk subjected to instant infusion pasteurisation were described by negative attributes, such as cardboard sour and plastic flavours, which are not associated normally with fresh milk. Partial least squares modelling showed good correlation between the volatile compounds and the sensory properties, indicating the predictive and possible causal importance of the volatile compounds for the sensory characteristics

Monitoring panel performance within and between sensory experiments by multi-way analysis

In sensory analysis a panel of trained assessors evaluates a set of samples according to specific sensory descriptors. The training improves objectivity and reliability of assessments. However, there can be individual differences between assessors left after the training that should be taken into account in the analysis. Monitoring panel performance is then crucial for optimal sensory evaluations. The quality of the results is strongly dependent on the performance of each assessor and of the panel as a whole. The present work proposes to analyze the panel performance within single sensory evaluations and between consecutive evaluations. The basic idea is to use multi-way models to handle the three-way nature of the sensory data. Specifically, a PARAFAC model is used to investigate the panel performance in the single experiment. N-PLS model is used to test the predictive ability of the panel on each experiment. A PARAFAC model is also used for monitoring panel performance over different experiments

Beyond Cell Penetrating Peptides: Designed Molecular Transporters

Inspired originally by peptides that traverse biological barriers, research on molecular transporters has since identified the key structural requirements that govern cellular entry, leading to new, significantly more effective and more readily available agents. These new drug delivery systems enable or enhance cellular and tissue uptake, can be targeted and provide numerous additional advantages of significance in imaging, diagnostics and therapy

The double [3+2] photocycloaddition reaction

One of a synthetic organic chemists‟ greatest challenges is to create step-efficient routes toward compounds with high molecular complexity. Therefore, reactions such as the meta photocycloaddition of an olefin to a benzene derivative, which provide more than one bond in a single step are of significant importance. It this remarkable reaction three new σ bonds, three new rings and up to six new stereocenters are formed simultaneously. Additional complexity can be added by tethering the two reacting partners together and this form of the reaction has found many uses in natural product synthesis. In this work a remarkable double [3+2] photocycloaddition reaction is reported that results in the formation of a complex cis, cis, cis, trans-[5, 5, 5, 5] fenestrane derivative from a simple flat aromatic acetal with two branching alkenes. During this dramatic transformation four carboncarbon bonds, five new rings and seven new stereocenters are created in a single one-pot process using only UV light. The reaction occurs in a sequential manner from the linear meta photocycloadduct, via a secondary [3+2] addition of the alkene across the cyclopropane of the adduct. In addition, an angular meta photocycloadduct also produced in the initial addition step, undergoes an alternative fragmentation-translocation photoreaction to afford a silphinene-like angular tricyclic compound. In this work the investigation of this newly discovered process is discussed via the synthesis and subsequent irradiation of a series of photosubstrates containing different functional groups in the arene-alkene tether. In addition, attempts toward the synthesis of alternative structures using the same double [3+2] photocycloaddition are reported

Differential cross section for neutron-proton bremsstrahlung

The neutron-proton bremsstrahlung process $(np \to np\gamma)$ is known to be sensitive to meson exchange currents in the nucleon-nucleon interaction. The triply differential cross section for this reaction has been measured for the first time at the Los Alamos Neutron Science Center, using an intense, pulsed beam of up to 700 MeV neutrons to bombard a liquid hydrogen target. Scattered neutrons were observed at six angles between 12$^\circ$ and 32$^\circ$, and the recoil protons were observed in coincidence at 12$^\circ$, 20$^\circ$, and 28$^\circ$ on the opposite side of the beam. Measurement of the neutron and proton energies at known angles allows full kinematic reconstruction of each event. The data are compared with predictions of two theoretical calculations, based on relativistic soft-photon and non-relativistic potential models.Comment: 5 pages, 3 figure

Highly efficient synthesis of the tricyclic core of Taxol by cascade metathesis

An efficient enantioselective synthesis of the ABC tricyclic core of the anticancer drug Taxol is reported. The key step of this synthesis is a cascade metathesis reaction, which leads in one operation to the required tricycle if appropriate fine-tuning of the dienyne precursor is performed

Oligocarbonate Molecular Transporters: Oligomerization-Based Syntheses and Cell-Penetrating Studies

A new family of guanidinium-rich molecular transporters featuring a novel oligocarbonate backbone with 1,7-side chain spacing is described. Conjugates can be rapidly assembled irrespective of length in a one-step oligomerization strategy that can proceed with concomitant introduction of probes (or by analogy drugs). The new transporters exhibit excellent cellular entry as determined by flow cytometry and fluorescence microscopy, and the functionality of their drug delivery capabilities was confirmed by the delivery of the bioluminescent small molecule probe luciferin and turnover by its intracellular target enzyme