ARTICLE | doi:10.20944/preprints201910.0007.v1
Subject: Chemistry And Materials Science, Food Chemistry Keywords: terpenoids; Vibrio fischeri; toxicity; QSAR; heuristic method
Online: 2 October 2019 (02:55:05 CEST)
Terpenoids, including monoterpenoids (C10), norisoprenoids (C13) and sesquiterpenoids (C15), constitute a large group of plant-derived naturally occurring secondary metabolites which chemical structure is highly diverse. A quantitative structure-activity relationship (QSAR) model to predict the terpenoids toxicity and to evaluate the influences of their chemical structure, was developed in this study, by assessing the toxicity of 27 terpenoid standards using Gram-negative bioluminescent Vibrio fischeri, in real time. Under the test conditions, at concentration of 1 µM, the terpenoids showed a toxicity level lower than five %, with exception of geraniol, citral, (S)-citronellal, geranic acid, (±)-α-terpinyl acetate and geranyl acetone. Moreover, the standards tested displayed a toxicity level higher than 30 % at concentration of 50 to 100 µM, with the exception of (+)-valencene, eucalyptol, (+)-borneol, guaiazulene, β-caryophellene and linalool oxide. Regarding the functional group, the terpenoids toxicity was observed in the following order: alcohol > aldehyde ~ ketone > ester > hydrocarbons. CODESSA software was employed to develop the QSAR models based on the correlation of terpenoids toxicity and a pool of descriptors related to each chemical structure. The QSAR models, based on t-test values, showed that terpenoids toxicity was mainly attributed to geometric (e.g., asphericity) and electronic (e.g., max partial charge for a C atom [Zefirov's PC]) descriptors. Statistically, the most significant overall correlation was the four-parameter equation with training and test coefficient correlation higher than 0.810 and 0.535, respectively, and square coefficient of cross-validation (Q2) higher than 0.689. According to the obtained data, the QSAR models are a suitable and a rapid tool to predict the terpenoids toxicity in a diversity of food products.
ARTICLE | doi:10.20944/preprints202103.0762.v1
Subject: Environmental And Earth Sciences, Atmospheric Science And Meteorology Keywords: Naturtejo Geopark; Groundwater; Vulnerability; DRASTIC; DRASTICAI; GIS
Online: 31 March 2021 (12:04:28 CEST)
Groundwater vulnerability assessment has become a useful tool for groundwater pollution pre-vention. Groundwater vulnerability maps provide useful data to protect groundwater resources. The identification of agricultural patterns is an important issue for optimized land management. The Tagus river watershed is the backbone of this survey. Naturtejo UNESCO Global Geopark, in central inland Portugal, corresponds to a rural territory. Intensive agricultural practices showed a rising tendency in the last decades. The most internationally used method for vulnerability evaluation is the DRASTIC index. In this survey, the DRASTICAI index is introduced. A new at-tribute - Anthropogenic Influence - is here added. Five levels of growing vulnerability, from low to high, can be here acknowledged. Idanha-a-Nova municipality is the most affected by intensive farming activities. A robust assessment of groundwater quality has a key role. Climate change scenarios and water scarcity are important issues in years to come. Therefore, optimized groundwater management is essential to consider in policy-making strategies.
ARTICLE | doi:10.20944/preprints201608.0132.v1
Subject: Medicine And Pharmacology, Other Keywords: fall risk assessment; risk of falling; force platforms; inertial sensors.
Online: 12 August 2016 (09:32:28 CEST)
Purpose: National Institute for Health and Care Excellence (NICE) has recently published quality standards for assessment of fall risk and preventing further falls. According to the standards, multifactorial fall risk assessments should include: identification of falls history; analysis of gait, balance, mobility and muscle strength, among other factors. Despite being based on subjective analysis or simple timing and not being multifactorial, physiotherapists and physicians quite often use these tests as reference scales to differentiate between lower and higher risk of falling. Instrumented TUG has been recently reported to provide important additional information to the overall score. Objective: To explore a case-based approach of fall risk assessment to identify the most relevant and informative risk factors that in combination could better define a person risk profile. Materials and Methods: A multifactorial assessment of fall risk through questionnaires, standard functional tests, tests instrumented with inertial sensors, and force platforms has been studied within a group aged 55-80 years old. Different fall risk factors and fall risk assessment methods were analyzed in a case-based descriptive study. Results & Discussion: Subjects at higher risk of falling were identified based on their detailed profiles. A set of features were obtained from the instrumented standard tests differing significantly between subjects presenting higher or lower fall risk. Therefore, instrumenting conventional tests with wearables containing inertial sensors and force platforms gives more detailed and quantitative insights. This information can be used to better define and tailor fall prevention exercises and to improve the follow-up of the evolution of the subject.