Structural feature based computational approach of toxicity prediction of ionic liquids: Cationic and anionic effects on ionic liquids toxicity

yesThe density functional theory (DFT) based a unique model has been developed to predict the toxicity of ionic liquids using structural-feature based quantum chemical reactivity descriptors. Electrophilic indices (ω), the energy of highest occupied (EHOMO) and lowest unoccupied molecular orbital, (ELUMO) and energy gap (∆ E) were selected as the best toxicity descriptors of ILs via Pearson correlation and multiple linear regression analyses. The principle components analysis (PCA) demonstrated the distribution and inter-relation of descriptors of the model. A multiple linear regression (MLR) analysis on selected descriptors derived the model equation for toxicity prediction of ionic liquids. The model predicted toxicity values and mechanism are very consistent with observed toxicity. Cationic and side chains length effect are pronounced to the toxicity of ILs. The model will provide an economic screening method to predict the toxicity of a wide range of ionic liquids and their toxicity mechanism

Effects of Burkholderia thailandensis rhamnolipids on the unicellular algae Dunaliella tertiolecta

The effects of rhamnolipids (RLs) produced and further purified from Burkholderia thailandensis, on the unicellular microalgae Dunaliella tertiolecta were investigated, in terms of RLs ability to affect algal growth, photosynthetic apparatus structure and energy flux, round and through photosystems II and I. Specifically, 24–48 h RLs-treated algae (RLs at concentrations ranged from 5 to 50 mg L−1) showed significantly decreased levels of growth rate, while increased levels of Chl a and b were obtained only in 72–96 h RLs-treated algae. Similarly, although no changes were obtained in the Chl a/b ratio and almost all chlorophyll fluorescence parameters over time, yields of electron transport (ϕR0, ϕE0) and respective performance index (PItotal) were negatively affected at 72 and 96 h. Based on those findings, it seems that the inhibitory effect of RLs on the algae growth rate after 24 and 48 h and the gradual attenuation of the phenomenon (after 72 h of exposure), may indicate the initial response of the organism, as well as algae ability to overcome, since RLs showed no effects on algae photosynthetic ability. Those findings reveal for the first time that RLs from Burkholderia thailandensis are not harmful for Dunaliella tertiolecta. However, further studies with the use of more aquatic species could be essential for assessing the RLs-mediated effects on aquatic biota

Μελέτη του επιδημιολογικού προφίλ της φυματίωσης στους μετανάστες στην Ελλάδα

Η φυματίωση, μία σοβαρή λοιμώδης νόσος και μία από τις κυριότερες αιτίες θανάτου παγκοσμίως, αποτελεί σημαντικό πρόβλημα Δημόσιας Υγείας ακόμη και σήμερα. Τα τελευταία χρόνια έχει καταγραφεί μία πτώση στην επίπτωση της φυματίωσης στις περισσότερες χώρες της Ευρωπαϊκής Ένωσης. Αυτή η πτωτική πορεία όμως έχει μειωθεί από την αναζωπύρωση της νόσου στις ευάλωτες πληθυσμιακές ομάδες όπως είναι οι μετανάστες από χώρες με υψηλό επιπολασμό και με ελλιπείς στρατηγικές πρόληψης και ελέγχου της νόσου. Επιπλέον η ανθεκτική φυματίωση είναι πιο συχνή στους αλλοδαπούς παρά στους Ευρωπαίους πολίτες. Σκοπός της παρούσας εργασίας είναι η μελέτη και διερεύνηση της επιδημιολογικής εικόνας της φυματίωσης στους μετανάστες στην Ελλάδα. Συγκεντρώθηκαν και αναλύθηκαν οι πληροφορίες των δελτίων δήλωσης της περιόδου 2007-2008 και 2017-2018 από τα αρχεία του Εθνικού Κέντρου Αναφοράς Μυκοβακτηριδίων ώστε να προκύψουν συμπεράσματα σχετικά με το επιδημιολογικό προφίλ της φυματίωσης στους μετανάστες και πώς αυτό έχει μεταβληθεί τα τελευταία χρόνια στην Ελλάδα.Tuberculosis, a serious infectious disease and one of the leading causes of death worldwide, remains a major public health problem. Tuberculosis incidence rates have fallen in most European Union countries over the past years. This declining trend however has been slowed down by the resurgence of the disease in vulnerable population groups such as migrants coming from high tuberculosis incidence countries with inefficient and of low quality health care services. Moreover drug-resistant tuberculosis is more common in foreign-born persons than European citizens. The aim of this study is to investigate the epidemiology of tuberculosis among migrants in Greece. Data were collected from the National Reference Laboratory for Mycobacteria records for the periods 2007-2008 and 2017- 2018. Information in the mandatory notification reports was reviewed and analyzed in order to determine if the epidemiological characteristics of tuberculosis among migrants in Greece have changed over the recent year

Investigation of ionic liquids toxicity with the use of bio-indicators and in vitro biological models

Given that the application of ionic liquids (ILs), either pure or in mixtures (IL-IL, IL-water, IL-acetone), is increasing rapidly, the present study investigates the toxic effects of the widely used imidazolium-based ILs, 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]) and 1-octyl-3-methylimidazolium tetrafluoroborate ([omim][BF4]), on a battery of aquatic organisms, as well as whether acetone could mediate ILs toxicity. In this context, the algae Dunaliella tertiolecta and Scenedesmus rubescens, crustaceans Thamnocephalus platyurus and Artemia franciscana, rotifers Brachionus calyciflorus and Brachionus plicatilis and the bivalve mollusk Mytilus galloprovincialis were exposed to different concentrations of [bmim][BF4], [omim][BF4] and/or a binary mixture of [bmim][BF4]–[omim][BF4] (1:1), with or without 0.06% v/v acetone, in order to determine the half maximal inhibitory concentration (IC50 values) or the median lethal concentration (LC50 values), in each case. Subsequently, mussels were exposed to sub- and nonlethal concentrations of each IL (with or without the presence of acetone) for investigating the IL-mediated cytotoxic (currently tested with the use of neutral red retention time/NRRT assay), oxidative (superoxide anions and lipid peroxidation enhancement) and genotoxic (with the use of Comet and MN assays) effects in different tissues (hemolymph/hemocytes and gills). In addition, the cytokinesis-block micronucleus assay (CBMN) was applied in human lymphocytes, as a sensitive assay for assessing the genotoxic and mutagenic ability of both ILs, with or without the presence of acetone. Moreover, in order to investigate the role of abiotic factors, such as salinity, to the induced toxic effects, the physiological behavior of the green algae D. tertiolecta (in terms of growth rate, carotene and chlorophyll a content) when exposed to ILs under different salinities (30 and 35‰) was also investigated. Except from the description of the toxic profile of the studied ILs, a more mechanistic approach, concerning ILs-mediated toxic mode of action, as well as the modulatory role of acetone on ILs-mediated toxic behavior was further performed, using isolated [omim][BF4]-treated mussel hemocytes, primarily incubated with the chaotropic agent guanidine hydrochloride (1mM GndHCl) and LC-MS-TOF analysis, respectively. According to the present study, [bmim][BF4] and [omim][BF4] could induce not only lethal effects on challenged species but also cytotoxic, oxidative, neurotoxic and genotoxic effects, as revealed by stress indices values, currently observed in tissues of M. galloprovincialis and in human lymphocytes. [omim][BF4] was found to be more toxic than [bmim][BF4] in all cases, while its toxicity seemed to be significantly modulated by the presence of acetone. ILs-mediated toxic mode of action seemed to rely on their ability to disrupt membrane proteins and lipid membrane bilayer integrity and function, as revealed using GndHCl pre-treated hemocytes, while the results of the LC-MS-TOF analysis showed that acetone probably alters [omim][BF4] hydrophilic/lipophilic character and viscosity, which in turn mediates its cellular interaction, membrane permeability and its concomitant adverse effects. Moreover, other factors, such as the physicochemical parameters and the composition of the environment/nutrient are also very important, as they can affect cells’ ability to respond under various conditions, especially when being under stress. In particular, salinity levels could play a key role in ILs-mediated inhibitory effects on D. tertiolecta, thus acting against algal growth rate rather than Chl a synthesis, merely due to the existence of a cross-linking with carotenoids. In conclusion, the present study indicates that the characterization of the imidazolium-based ILs as “green” should not be generalized and shows for the first time that carrier solvents, such as acetone, could be used for the development and usage/application of more environmentally safe ILs.Σκοπός της παρούσας μελέτης ήταν η εκτίμηση του περιβαλλοντικού κινδύνου από τα ευρέως χρησιμοποιούμενα ιμιδαζολικά ιοντικά υγρά (ILs), τετραφθοροβορικό 1-βούτυλο-3-μεθυλιμιδαζόλιο (1-butyl-3-methylimidazolium tetrafluoroborate /([bmim][BF4]) και τετραφθοροβορικό 1-μέθυλο-3-οκτυλιμιδαζόλιο (1-octyl-3-methylimidazolium tetrafluoroborate /[omim][BF4]), με την χρήση οργανισμών βιο-ενδεικτών και in vitro βιολογικών μοντέλων. Παράλληλα, καθώς η πιθανότητα χρήσης διαλυμάτων ILs-οργανικού διαλύτη σε ένα πλήθος εφαρμογών είναι αυξημένη, μελετήθηκε η επίδραση της ακετόνης στην ικανότητα των ILs να επάγουν φαινόμενα τοξικότητας. Αναλυτικότερα, πραγματοποιήθηκαν δοκιμές τοξικότητας με την χρήση των φυτοπλαγκτονικών ειδών Dunaliella tertiolecta και Scenedesmus rubescens, των καρκινοειδών Thamnocephalus platyurus και Artemia franciscana, των τροχοζώων Brachionus calyciflorus και Brachionus plicatilis, του δίθυρου μαλακίου Mytilus galloprovincialis, παρουσία ή απουσία ακετόνης (0.06% v/v). Πέραν της ικανότητάς τους να προκαλούν θνησιμότητα στους εκτιθέμενους οργανισμούς, διερευνήθηκε η πιθανότητα επαγωγής κυτταροτοξικών (τεχνική Neutral Red Retention Time), νευροτοξικών (ενζυμική δραστικότητα ακετυλ-χολινεστεράσης/AChE) και γενοτοξικών (συχνότητα εμφάνισης μικροπυρήνων/MN, τεχνική ανάλυσης κομητών/MS assay) επιπτώσεων, καθώς και φαινομένων οξειδωτικής καταπόνησης (προσδιορισμός επιπέδων σουπεροξειδικών ανιόντων, προσδιορισμός επιπέδων μηλονικής διαλδεϋδης/ MDA) σε ιστούς (αιμόλεμφος/αιμοκύτταρα και βράγχια) του είδους M. galloprovincialis. Επιπλέον, μελετήθηκε η κυτταροτοξική και μεταλλαξιγόνος δράση των ILs, εφαρμόζοντας την τεχνική των μικροπυρήνων με τη χρήση της κυτταροχαλασίνης-Β (CBMN), σε καλλιέργειες ανθρώπινων λεμφοκυττάρων. Παράλληλα, για να μελετηθεί καλύτερα ο μηχανισμός δράσης των ILs και η αλληλεπίδρασή τους με την ακετόνη πραγματοποιήθηκε ανάλυση LC-MS-TOF, και in vitro μελέτες σε απομονωμένα αιμοκύτταρα του μυδιού M. galloprovincialis, έπειτα από επώαση τους με τον χαοτροπικό παράγοντα υδροχλωρική γουανιδίνη (1 mM). Τέλος, προκειμένου να διερευνηθεί η επίδραση των φυσικοχημικών παραμέτρων, όπως η αλατότητα, στην φυσιολογική απόκριση των φυτοπλαγκτονικών οργανισμών (ρυθμός αύξησης, επίπεδα χλωροφύλλης α και ολικών καροτενοειδών), πραγματοποιήθηκε έκθεση καλλιεργειών D. tertiolecta στα ILs υπό διαφορετικές αλατότητες (30 και 35‰). Σύμφωνα με τα αποτελέσματα, τα ILs μειώνουν σημαντικά τη βιωσιμότητα των εκτιθέμενων οργανισμών και προκαλούν σημαντικές προ-παθολογικές καταστάσεις. Ειδικότερα, το [οmim][BF4] που φέρει μεγαλύτερη αλκυλική αλυσίδα, εμφανίζει μεγαλύτερη τοξικότητα, σε σχέση με το [bmim][BF4] και το μίγμα [bmim][BF4]-[οmim][BF4], προκαλώντας σημαντικές διαταραχές στη φυσιολογία των εκτιθέμενων ατόμων/κυττάρων, πιθανό λόγω της ικανότητας του IL να αλληλεπιδρά με τα φωσφολιπίδια και τις πρωτεΐνες των κυτταρικών μεμβρανών, ενεργοποιώντας μια σειρά αλυσιδωτών αντιδράσεων στο εσωτερικό των κυττάρων. Το είδος και η έκταση των επαγόμενων φαινομένων επηρεάζεται σημαντικά από την παρουσία της ακετόνης, η οποία αναστέλλει σε σημαντικό βαθμό τις τοξικές επιπτώσεις του [omim][BF4]. Σύμφωνα με την ανάλυση LC-MS-TOF, φαίνεται πως η ακετόνη μεταβάλλει το ιξώδες και την λιποφιλικότητα των ILs και κατ’ επέκταση την ικανότητά τους να αλληλεπιδρούν με τις βιολογικές μεμβράνες. Τέλος, η τοξικότητα των ILs φαίνεται πως εξαρτάται σε μεγάλο βαθμό από τις φυσικοχημικές παραμέτρους του περιβάλλοντος, καθώς επηρεάζουν την ικανότητα των κυττάρων να ανταπεξέρχονται σε διαφορετικές συνθήκες stress. Συγκεκριμένα, η αλατότητα φάνηκε να παίζει σημαντικό ρόλο στο ρυθμό αύξησης του μικροφύκους D. tertiolecta. Συμπερασματικά, τα αποτελέσματα της παρούσας μελέτης αμφισβητούν την ορθότητα του χαρακτηρισμού των ιμιδαζολικών ILs ως «Πράσινοι» διαλύτες. Παράλληλα, αναδεικνύει για πρώτη φορά το σημαντικό ρόλο της ακετόνης στη ρύθμιση του τοξικού χαρακτήρα των ILs, συμβάλλοντας με αυτό τον τρόπο στην προσπάθεια παραγωγής, ανάπτυξης και χρήσης περισσότερο περιβαλλοντικά φιλικών ILs

Hydrothermal Carbonization of Residual Algal Biomass for Production of Hydrochar as a Biobased Metal Adsorbent

Conversion of residual algal biomass to value-added products is essential for enhancing the economics of algae cultivation. Algal hydrochar produced via hydrothermal carbonization of lipid-extracted Picochlorum oculatum is a material rich in oxygen functional groups and carbon (up to 67.3%) and hence a promising candidate for remediation of wastewaters. The hydrothermal carbonization conditions were optimized and the adsorption capacity of the hydrochar was tested for metal removal. By the end of the remediation process, cumulative removal of Al3+, Cu2+, Fe2+, Mg2+, Mn2+, and Pb2+ reached 89, 98, 75, 88, 75, and 100%, respectively. The adsorption of all metals was found to follow pseudo second-order kinetics and the Langmuir isotherm. Overall, when hydrothermal carbonization is applied to lipid-extracted algae, it generates a promising biobased adsorbent with value-added potential in metal remediation

Kidney transplantation: an attractive and cost-effective alternative for older patients?—a cost–utility study

In the elderly, kidney transplantation is associated with increased survival and improved health-related quality of life compared with dialysis treatment. We aimed to study the short-term health economic effects of transplantation in a population of elderly kidney transplant candidates. Self-perceived health, quality-adjusted life years (QALYs) and costs were evaluated and compared 1 year before and 1 year after kidney transplantation in patients included in a single-centre prospective study of 289 transplant candidates ≥65 years of age. Self-perceived health and QALYs both significantly improved after transplantation. At 1 year, the costs per QALY were substantially higher for transplantation (€88 100 versus €76 495), but preliminary analyses suggest a favourable long-term health economic effect. Kidney transplantation in older kidney transplant recipients is associated with improved health but also with increased costs the first year after engraftment when compared with remaining on the waiting list. Any long-term cost-effectiveness needs to be confirmed in studies with longer observation times

Poor Physical Function Trajectory Predicts Impaired Patient Survival in Older Recipients of Deceased Donor Kidneys: A Prospective Cohort Study

Background. Optimized health-related quality of life (HRQOL) at the time of kidney transplantation (KT) is associated with improved survival. In older KT recipients, we aimed to prospectively evaluate if HRQOL evolution during the first posttransplant year was associated with long-term patient survival. Methods. Recipients older than 65 y at KT who received an organ from a deceased brain-dead donor and survived >12 mo posttransplant were eligible. HRQOL was assessed pre-KT, at 10 wk, 6 mo, and 12 mo post-KT, using the Kidney Disease Quality of Life Short Form version 1.3 survey. A mixed-effect model was used to explore HRQOL evolution during the first posttransplant year in long-term survivors compared with nonsurvivors. Distinct HRQOL clusters were identified using a group-based trajectory modeling and their association with patient survival was investigated with Cox proportional hazard regression models. Results. We included 192 elderly recipients of deceased brain-dead donor kidneys who were transplanted from 2013 to 2020. Eleven died during the first year leaving 181 for evaluation (male, 125; mean age at KT, 72 y [65–84 y]). During a median observation time post-KT of 4.9 y (11.1–8.5 y), 57 recipients died. In survivors, all the generic and kidney-specific HRQOL domains substantially improved during the first year, whereas in nonsurvivors HRQOL deteriorated. Three longitudinal HRQOL trajectories indicating poor, fair, and good HRQOL evolution were identified. Poor physical function trajectory was significantly associated with higher mortality risk independent of covariates, as compared with good physical trajectory (hazard ratio, 2.38; 95% confidence interval, 1.15–5.01). Conclusions. In elderly KT recipients, detection of declining posttransplant physical function may imply impaired survival. Systematic HRQOL monitoring following KT provides added value when evaluating mortality and may guide therapeutic decisions

Health-Related Quality of Life in Older Kidney Transplant Recipients: A National Cohort Study of Short- and Longer-Term Outcomes

Rationale & Objective Assessing the optimal therapy for older patients (aged ≥65 years) with end-stage kidney disease requires knowledge of longevity and health-related quality of life (HRQoL) outcomes. Kidney transplantation prolongs survival but its long-term impact on HRQoL in older recipients is not well defined. We aimed to prospectively evaluate HRQoL changes from enlisting until 3 years posttransplantation and examine pretransplantation predictors of posttransplantation outcomes. Study Design Prospective cohort study. Setting & Participants Patients 65 years and older enlisted at the Norwegian National Transplant Center between January 2013 and November 2016. Predictors Kidney transplantation, dialysis vintage, and pretransplantation comorbidity assessed using the Liu Comorbidity Index. Outcomes HRQoL, assessed using the Kidney Disease Quality of Life Short Form, version 1.3. Analytical Approach HRQoL scores obtained at 3 years posttransplantation were compared with those obtained pretransplantation and after 1 year using a paired-sample t test. Multivariable linear mixed-effect models were used to identify possible predictors of HRQoL changes over time. Results Among 289 patients included, 220 (mean age, 71.5 years) had undergone transplantation and 136 had completed the 3-year HRQoL follow-up by October 2020. Posttransplant HRQoL, both generic and kidney specific, substantially improved and the benefit persisted for 3 years. For wait-listed candidates remaining on dialysis, HRQoL gradually deteriorated, and recipients who died within 3 years posttransplantation experienced no improvement during the first year. Moderately elevated pretransplantation comorbidity scores and prolonged dialysis vintage independently predicted poor HRQoL outcomes posttransplantation. Recipients receiving dialysis for 1 year or longer with pretransplantation comorbidity scores ≥ 7 experienced a marked and sustained physical deterioration after transplantation. Limitations Homogenous and highly selected population. Conclusions Transplantation is associated with a sustained HRQoL improvement and should be the preferred treatment for selected older patients. The value of a pretransplant comorbidity score to predict posttransplantation outcomes warrants further evaluation and may improve the selection process