Dye-conjugated complementary lipophilic nucleosides as useful probes to study association processes by fluorescence resonance energy transfer

Modern supramolecular chemistry relies on the combination of diverse analytical techniques that can provide complementary information on complex self-assembly landscapes. Among them, resonance energy transfer, monitored by fluorescence emission spectroscopy, arises as a sensitive and convenient phenomenon to report binding intermolecular interactions. The use of molecular probes labelled with suitable complementary energy-transfer pairs can provide valuable information about the thermodynamics, kinetics and self-sorting characteristics of a particular self-assembled system. The objective of this work is to generate a set of nucleoside FRET probes that can be reliably employed to prove and analyse quantitatively H-bonding interactions between complementary Watson-Crick pairs. We first describe the preparation of a set of lipophilic nucleosides that are linked to a π-conjugated functional fragment. The bases include guanosine and 2-aminoadenosine as purine heterocycles, and cytidine and uridine as complementary pyrimidine bases. The π-conjugated moiety comprises either a short phenylene-ethynylene oligomer, a bithiophene, or a BODIPY dye. We then demonstrate that the last two chromophores constitute an energy donor-acceptor couple and that donor emission quenching can be related to the ratio of molecules bound to the complementary acceptor pair. Hence, fluorescence spectroscopy in combination with resonance energy transfer, is shown here to be a useful tool to study and quantify the association and self-sorting events between complementary and non-complementary nucleosides in apolar aromatic solvents, where the binding strength is considerably high, and sensitive techniques that employ low concentrations are demandedFunding from the European Research Council (ERC-Starting Grant 279548 PROGRAM-NANO) and MINECO (CTQ2014-57729-P) is gratefully acknowledged. E. F. would like to thank the Sharif University of Technology of Iran for financial support. D. S.M. would like to acknowledge Comunidad de Madrid for financial support through contract PEJ16/IND/AI-084

Drought Monitoring and Prediction using K-Nearest Neighbor Algorithm

Drought is a climate phenomenon which might occur in any climate condition and all regions on the earth. Effective drought management depends on the application of appropriate drought indices. Drought indices are variables which are used to detect and characterize drought conditions. In this study, it was tried to predict drought occurrence, based on the standard precipitation index (SPI), using k-nearest neighbor modeling. The model was tested by using precipitation data of Kerman, Iran. Results showed that the model gives reasonable predictions of drought situation in the region. Finally, the efficiency and precision of the model was quantified by some statistical coefficients. Appropriate values of the correlation coefficient (r=0.874), mean absolute error (MAE=0.106), root mean square error (RMSE=0.119) and coefficient of residual mass (CRM=0.0011) indicated that the present model is suitable and efficien

Cavitation Damage Prediction on Dam Spillways using Fuzzy-KNN Modeling

The present paper deals with a numerical method for prediction of cavitation damage level and location on dam spillways. A method was applied to predict the intensity of cavitation damage to spillways, using the fuzzy k-nearest neighbor algorithm. Five levels of damage intensity were considered to predict cavitation damage in the spillway of Karun-1 Dam in Iran. According to the results, the proposed model could properly predict the location and intensity of damage in comparison with the actual damage reports of past floods. According to the Pearson's correlation coefficient, mean absolute error, coefficient of residual mass, and normalized root mean square error, the fuzzy k-nearest neighbor model is efficient and suitable

Orientational self-sorting in cuboctahedral Pd cages

Cuboctahedral coordination cages of the general formula [Pd12L24]24+ (L = low-symmetry ligand) were analyzed theoretically and experimentally. With 350 696 potential isomers, the structural space of these assemblies is vast. Orientational self-sorting refers to the preferential formation of particular isomers within the pool of potential structures. Geometric and computational analyses predict the preferred formation of cages with a cis arrangement at the metal centers. This prediction was corroborated experimentally by synthesizing a [Pd12L24]24+ cage with a bridging 3-(4-(pyridin-4-yl)phenyl)pyridine ligand. A crystallographic analysis of this assembly showed exclusive cis coordination of the 3- and the 4-pyridyl donor groups at the Pd2+ ions

Characterization of the serum levels of Meteorin-like in patients with inflammatory bowel disease and its association with inflammatory cytokines

Background: Meteorin-like (Metrnl) is an adipokine with insulin sensitizing and anti-inflammatory properties that has been discovered recently. The relation among Metrnl, Inflammatory Bowel Disease (IBD), and obesity has been unexplored yet. Methods: The present study was conducted on 54 healthy control, 42 Ulcerative Colitis (UC), and 43 Crohn�s disease (CD) patients who were diagnosed by pathological examination. In all participants, serum levels of adiponectin, Metrnl, interleukin (IL)-6, and Tumor necrosis factor (TNF-α) were measured using ELISA kits. Results: Metrnl concentration was considerably lower in both UC (85.25 ± 36.55 pg/mL) and CD (76.93 ± 27.92 pg/mL) patients in comparison to control (107.52 ± 35.33 pg/mL). In addition, it was seen that both patient groups have a decreased level of adiponectin compared to the controls. Besides that, the level of IL-6 and TNF-α were significantly greater in the patient groups. Moreover, the result showed that the level of Metrnl is inversely correlated with body mass index (BMI) in the controls and the patients. Metrnl levels are also inversely associated with IL-6, and TNF-α in both of the patient groups. Conclusions: The current study is the first one reporting the decreased levels of Metrnl in serum among patients with IBD, which is inversely related with BMI, TNF-α, and IL-6. These results suggested a possible relation of Metrnl with the pathogenesis of IBD, particularly through inflammatory process, although further studies are warranted to dissect the possible mechanism. © 2020, The Author(s)

On the RIP: using Relative Impact Potential to assess the ecological impacts of invasive alien species

Invasive alien species continue to arrive in new locations with no abatement in rate, and thus greater predictive powers surrounding their ecological impacts are required. In particular, we need improved means of quantifying the ecological impacts of new invasive species under different contexts. Here, we develop a suite of metrics based upon the novel Relative Impact Potential (RIP) metric, combining the functional response (consumer per capita effect), with proxies for the numerical response (consumer population response), providing quantification of invasive species ecological impact. These metrics are comparative in relation to the eco-evolutionary baseline of trophically analogous natives, as well as other invasive species and across multiple populations. Crucially, the metrics also reveal how impacts of invasive species change under abiotic and biotic contexts. While studies focused solely on functional responses have been successful in predictive invasion ecology, RIP retains these advantages while adding vital other predictive elements, principally consumer abundance. RIP can also be combined with propagule pressure to quantify overall invasion risk. By highlighting functional response and numerical response proxies, we outline a user-friendly method for assessing the impacts of invaders of all trophic levels and taxonomic groups. We apply the metric to impact assessment in the face of climate change by taking account of both changing predator consumption rates and prey reproduction rates. We proceed to outline the application of RIP to assess biotic resistance against incoming invasive species, the effect of evolution on invasive species impacts, application to interspecific competition, changing spatio-temporal patterns of invasion, and how RIP can inform biological control. We propose that RIP provides scientists and practitioners with a user-friendly, customisable and, crucially, powerful technique to inform invasive species policy and management

Carbon-cryogel hierarchical composites as effective and scalable filters for removal of trace organic pollutants from water

Effective technologies are required to remove organic micropollutants from large fluid volumes to overcome present and future challenges in water and effluent treatment. A novel hierarchical composite filter material for rapid and effective removal of polar organic contaminants from water was developed. The composite is fabricated from phenolic resin-derived carbon microbeads with controllable porous structure and specific surface area embedded in a monolithic, flow permeable, poly(vinyl alcohol) cryogel. The bead-embedded monolithic composite filter retains the bulk of the high adsorptive capacity of the carbon microbeads while improving pore diffusion rates of organic pollutants. Water spiked with organic contaminants, both at environmentally relevant concentrations and at high levels of contamination, was used to determine the purification limits of the filter. Flow through tests using water spiked with the pesticides atrazine (32 mg/L) and malathion (16 mg/L) indicated maximum adsorptive capacities of 641 and 591 mg pollutant/g carbon, respectively. Over 400 bed volumes of water contaminated with 32 mg atrazine/L, and over 27,400 bed volumes of water contaminated with 2 μg atrazine/L, were treated before pesticide guideline values of 0.1 μg/L were exceeded. High adsorptive capacity was maintained when using water with high total organic carbon (TOC) levels and high salinity. The toxicity of water filtrates was tested in vitro with human epithelial cells with no evidence of cytotoxicity after initial washing

The survey statistical and biological of sturgeon in the southern Caspian Sea (Mazandaran waters)

This study have been conducted entitle biological and statistical sturgeon in the southern Caspian Sea (Mazandaran waters)” from 2009 to 2013. Sampling was manthly. Overal, 1859 specimens of different species of sturgeon was caught including Acipenserpersicus (69%), A. stellatus (19%), Husohuso (6%), A. nudiventris (4%) and A. guldenstaedtii (2%). Totally, the meat and caviar of five species were found 53263.6 kg and 5633 kg respectively and caviar to meat ratio was 10.6%. The results show that ration of meat and caviar whole species reduced from 2009 to 2012 in which the meat and caviar of A. persicus was declined from 12146 to 4465 kg in meat and caviar from 1358 to 487 kg were extremely reduced respectively. The CPUE (catch per unit effort) of sturgeon has fluctuated from 2009 to 2012. Totally, the CPUE of A. persicus was decreased from 0.150 (2009) to 0.130 (2012) kg boat per day, A. stellatue from 0.009 (2009) to 0.021 (2012) kg boat/day, A. guldenstaedtii from 0.002 (2009) to 0.003 (2012) kg boat/day, A. nudiventris from 0.027 (2009) to 0.001 (2012) kg boat/day and H. huso from 0.123 (2009) to 0.018 (2012) kg boat /day. 1061 specimens of fish has been caviar including A. persicus with 69%, A. stellatus (18.1%), H. huso (5.5%), A. guldenstaedtii (2.7%). The frequency of caviar categorize was included 1 , 2, 3 and massive with 49.6%, 38%), 10.6% and 1.9%, respectively. The highest of meat and caviar belong to A. persicus with 31414 kg and 3515.7 kg, respectively were found and the lowest was 841kg and 105.9 kg pertain to A. guldenstaedtii. The results show that 65.9% of sturgeon was caught by legal catch (landing) and 34.1% by beach seine remained. 391 individuals was age determined that the minimum and maximum age was 9 and 41 year comprised to H.huso and A. stellatus, respectively. A. persicus and A. stellatus were majority caught compare to other species. A. persicus has the highest frequency in 14-15 year age groups with 50% and 57% in 2009 and 2011, respectively and 15-16 year age group with 41% and 56% in 2010 and 2012, respectively. The results show that mean of fork length, body weight, caviar weight of A. persicus was declined because the FL and weight average (±SD) obtained from 152.4±16.7cm and 25.8±9.2 kg in 2009 to 146.5± 18.7cm and 22.1±9.2kg in 2012, respectively. In contrast, the average (±SD) FL and weight of H. huso was increased from 218.8±41.1cm and 137.3±96.6kg in 2009 to 231.3±45.2cm in FL and 146.2±78.5kg body weight in 2012, respectively. Consequently, the results show that stocks of sturgeon in the Caspian Sea has a trend declined because of some species in IUCN categorize list was Endangered in 2006 but at this moment lie in Critically Endangered list of IUCN categorize were down which could be a serious alarm for the valuable sturgeon fish in the Caspian Sea. Therefore, recommendation that trade catch of sturgeon in the Caspian Sea must be forbidden and continue legal catch for spawner fish that needede to artificial propagation only