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Purpose: Using treated swine wastewater (TWW) for crop irrigation, especially in semi-arid regions, can help mitigate water demand–supply imbalances and prevent environmental degradation. Therefore, this study aimed to assess the impact of treated swine wastewater (TWW) application on soil fertility attributes and to establish management zones (MZs) for its optimal use. Methods: Soil samples were collected using a regular grid of 110 points (10 × 10 m) across 1.25 ha, where annual applications of 500 m3ha–1year–1of swine TWW were carried out for two years. The soil attributes evaluated included pH, soil organic matter (SOM), phosphorus (P), potassium (K), sodium (Na), calcium (Ca), magnesium (Mg), potential acidity (H + Al), sum of bases (SB), and potential cation exchange capacity (CEC). Results: The application of TWW significantly reduced soil pH and P levels while increasing SOM, K, Ca, SB, and CEC. However, the spatial variability maps of the soil attributes indicated low uniformity in the swine TWW application, demonstrating improper management of the irrigation system. Additionally, heterogeneity was observed for K, Na, Mg, and H + Al between the MZs. Conclusion: The study identified two MZs, which served as a foundation for guiding the application of swine TWW and effectively managing soil fertility in the area.

In this study, we present a new methodology for 2D joint inversion, or data fusion, of DC electro-resistivity and Transient Electromagnetic methods. These geophysical techniques have traditionally been used separately, but by combining them, we aim to decrease ambiguities and increase the robustness of the resulting subsurface model. The inversion process was conducted using the classical Occam method with smooth models and synthetic studies were also conducted to understand the limitations and advantages of the method. We also applied the algorithm to data obtained in groundwater exploration in Brazil, and the results showed that the 2D joint inversion is promising in increasing accuracy and reducing ambiguity in subsurface imaging.

Ionic liquids with the dicyanamide anion, namely, with 1-alkyl-imidazolium cations, have been receiving attention recently due to their potential applications. The utilization of these liquids as heat transfer fluids, specifically in small heat exchangers and microchannels for microprocessor cooling, is presently deemed highly feasible, as it can be both more efficient and environmentally acceptable. The design of a heat transfer equipment that makes use of fluids requires knowledge of their thermophysical properties. In this regard, dispersions of nanoparticles have been extensively studied in recent years to improve thermal conductivity or obtain desirable optical properties. IoNanofluids is what we have taken to name the result of such dispersions in ionic liquids. In this paper, we report measurements of the thermal conductivity and viscosity of the IoNanofluid of 1-ethyl-3-methylimidazolium dicyanamide, [C2mim][N(CN)2], with 0.5% mass fraction of TiO2nanoparticles (diameter 20 nm) in the temperature range (293 < T/K < 343), at P= 0.1 MPa. Reasonable enhancements were found for thermal conductivity and viscosity, which were temperature-dependent. The IoNanofluid was found to behave as a non-Newtonian fluid in most of the temperature range studied. A discussion about the possible use of this IoNanofluid as a heat transfer fluid shows that it has very promising properties to be used in heat transfer applications.

Family history of hypertension is associated with early autonomic dysfunction and increased oxidative stress. These alterations have been found to be reinforced by the overweight factor. Conversely, an active lifestyle is effective in improving the mechanisms regulating blood pressure control. Hence, we ought to investigate the effects of an active lifestyle on the hemodynamic, autonomic and oxidative stress parameters in individuals carrying both family history of hypertension and overweight risk factors. Fifty-six normotensive males were divided into four groups: eutrophic offspring of normotensive parents (EN, n= 12), eutrophic and inactive with hypertensive parents (EH, n= 14), overweight and inactive with hypertensive parents (OH, n= 13), and overweight and physically active with hypertensive parents (OAH, n= 17). Cardiovascular autonomic modulation was assessed by heart rate (HRV) and blood pressure (BPV) variability indexes. Oxidative stress included pro/antioxidant markers and nitrite concentration. Inactive offspring of hypertensive parents (EH and OH) showed higher LFSBP(vsEN), an indicator of sympathetic outflow to the vasculature and reduced anti-oxidant activity (vsEN), while higher pro-oxidant markers were found exclusively in OH (vsEN and EH). Conversely, the OAH group showed bradycardia, higher vagally-mediated HFabsindex (vsOH and EN), lower sympathovagal balance (vsOH) and preserved LFSBP. Yet, the OAH showed preserved pro/antioxidant markers and nitrite levels. Our findings indicates that overweight offspring of hypertensive parents with an active lifestyle have improved hemodynamic, cardiac autonomic modulation and oxidative stress parameters compared to their inactive peers.

ABSTRACTThe purpose of the present study was to examine Portuguese coaches, coach developers, and sport administrators’ (i.e. decision-makers) interactions that co-determine positive youth development through sport. A critical realist approach was adopted using Elder-Vass’s framework on the causal power of social structures. A total of 47 Portuguese decision-makers from provincial and national sport organisations were interviewed, leading to 2350 minutes of interview data. The findings provide insights into how participants varied in their perspectives on the place of performance and positive youth development in the youth sport system. Coaches and sport administrators believed performance was the main priority and their discourses were shaped by (inter)actions with norm circles influencing their dispositions and beliefs about the purpose of youth sport. Conversely, coach developers challenged the status quo and were much more deliberate in wanting to change the priorities of the youth sport system. Coach developers were in a privileged position to ‘broker’ change by using their individual agency to work to further include positive youth development. Considering the pressures imposed by norm circles and the active role of individual agency, practical and theoretical implications are offered to develop a youth sport system where positive youth development can become a legitimate and worthwhile pursuit.

Meeting today's major scientific and societal challenges requires understanding dynamics of prosociality in complex adaptive systems. Artificial intelligence (AI) is intimately connected with these challenges, both as an application domain and as a source of new computational techniques: On the one hand, AI suggests new algorithmic recommendations and interaction paradigms, offering novel possibilities to engineer cooperation and alleviate conflict in multiagent (hybrid) systems; on the other hand, new learning algorithms provide improved techniques to simulate sophisticated agents and increasingly realistic environments. In various settings, prosocial actions are socially desirable yet individually costly, thereby introducing a social dilemma of cooperation. How can AI enable cooperation in such domains? How to understand long‐term dynamics in adaptive populations subject to such cooperation dilemmas? How to design cooperation incentives in multiagent learning systems? These are questions that I have been exploring and that I discussed during the New Faculty Highlights program at AAAI 2023. This paper summarizes and extends that talk.

The Cunene Province (Southern Angola) is facing recurrent and pluriannual droughts. Surface water supply could be reinforced using the groundwater resources of the multilayered aquifer systems (MAS) hosted in the siliciclastic sediments of the Kalahari Group. The MAS were first identified in the early 2000s in Northern Namibia and recently in the Cunene Province, by studies of the PLANAGEO project based on modern processing and reinterpretation of legacy data from the 1960s and 1970s (electrical resistivity data and deep boreholes). This article presents the results of a time domain electromagnetic (TDEM) survey conducted in the Cunene Province to: (i) contribute to the design of the hydrogeological conceptual model of the transboundary MAS, namely their geometry and extension; (ii) validate the reprocessing of the legacy data; and (iii) guide the future location of boreholes. Results depict the geometry of the sedimentary basin and the characterization of the MAS, with particular emphasis on the intermediate and deep aquifers. The borehole siting, based on the interpretation of the new TDEM data and the legacy data (clay markers in borehole logs), was successful, with a good agreement between estimated and observed horizons of the deep aquifers. However, the presence of clayey layers, a clay-rich matrix in the detrital deposits and saline/brackish groundwater led to uncertainties in the interpretation of the electrical transects. As such, recommendations are made to improve future data collection and mapping of the MAS.

Dedicated hardware is required to efficiently execute the highly resource-demanding modern artificial neural networks (ANNs). The high complexity of ANN systems has motivated the use of high-level synthesis (HLS) tools, which increase design abstraction. Higher abstraction reduces the implementation of field-programmable gate array (FPGA) hardware details visible to the designer, making an accurate reliability evaluation challenging. When ANN hardware accelerators are used in safety-critical systems, reliability becomes paramount, and to have a realistic reliability evaluation, physical fault injection, such as beam testing, is mandatory. Existing reliability analysis approaches focus on specific ANN hardware accelerator designs, but when HLS tools are used, the tool flow and design decisions can impact reliability. Therefore, we evaluate the error rate of ANN hardware accelerators generated by HLS tools under high-energy neutrons and explore the impact of HLS parameters on reliability. Our results show that by tweaking hardware parameters, such as the reuse of resources, it can increase the error rate linearly. Furthermore, the generated ANN hardware accelerator with the best tradeoff of area and execution cycles can deliver $15\times $ more correct executions than the least optimized one, despite its increased error rate.

Purpose: With the increasing incidence of cardiac arrests in non-critical areas, it is crucial to provide comprehensive training to healthcare professionals. Simulation-based training using manikins offers a morally sound alternative to traditional methods and allows students to apply clinical skills in realistic scenarios. Usability evaluation, including assessment of efficiency, effectiveness, and user satisfaction, is essential for ensuring the effectiveness of the training. This research focuses on evaluating the usability of the simulation manikin for teaching cardiopulmonary resuscitation to medical students. Methods: Twenty-one volunteers participated in the experiments: 18 students and three teaching doctors (one instructor professor and two evaluator professors). The instructor professor was instructed to follow the same procedure used in the classroom setting. The evaluating professors were provided with appropriately labeled data collection instruments to evaluate the usability of manikins. The student performed the tasks as instructed, and after completion, they were directed to the debriefing room, where they filled out the feedback form. Results: The experimental data and the statistical analyses showed that regarding effectiveness, the study findings indicated that participants encountered difficulties in certain tasks, as evidenced by the need for significant intervention from the instructor professor. In relation to efficiency, the results demonstrated a clear correlation between the successful execution of tasks and the duration of instruction provided by the instructor, thereby indicating the presence of a usability problem associated with the simulation manikin. And users are not entirely satisfied with the manikin, considering the room for improvement indicated by the SUS score. Conclusion: The experiment and the results reported in this paper contribute to addressing the existing gap in the literature concerning the usability of high-fidelity simulation manikins. Our results allow us to infer that although the simulation manikin exhibits satisfactory outcomes, there are noteworthy areas for improvement identified, thus highlighting potential areas for enhancement that should be taken into consideration.

ABSTRACTThe aim of this study was to apply a self-experimentation coaching approach to the development of life skills in sport. A sports administrator (self-researcher), a postdoctoral student (researcher) and two university professors (critical friends) participated in the research. Self-experimentation coaching occurred over a year, in two phases, over 23 sessions held online. The sessions were recorded, transcribed and broadcasted. The results showed benefits to self-organisation, both at the external and internal levels of the self-researcher. Participants also experimented with some elements of self-study and self-experimentation. Findings showed that self-experimentation coaching can be an effective alternative approach for sport administrators’ personal and professional development.

Purpose: The electrical resistivity method is commonly used to identify areas with similar soil characteristics by measuring the soil’s apparent electrical conductivity (ECa). However, the ideal frequency range to be used and the influence of the signal frequency on ECavalues obtained by sensors is still uncertain. This study aimed to (1) evaluate the effect of electric current frequency on ECavalues and (2) evaluate the correlation between ECavalues obtained from different frequencies and soil attributes of agronomic interest, such as soil water content and pH. ECadeterminations were obtained in four experimental areas using six different frequencies of electric current (1, 5, 10, 20, 30, and 40 Hz). Methods: The influence of the electric current signal frequency on the value obtained by the sensor was analyzed by linear regressions in all experimental areas, followed by the F-test (α= 0.05). Pearson’s correlations (α= 0.05) were calculated to quantify the relationships between ECaand soil physical and chemical attributes, for each frequency of the electric current signal of the sensor. Results: Statistical analyses indicated that the electric current frequency does not significantly affect the measured conductivity value. According to the chi-square test (p≤ 0.05), the number of significant correlations between ECaand soil physical and chemical attributes was homogeneous for all frequencies. The F-test indicated that the frequency of the electric current had no significant effect on ECain 90% of the experimental points. Conclusion: It was shown that all frequencies in the range of 1 to 40 Hz can be used to correlate ECavalues with chemical and physical soil attributes, such as soil water content (r= 0.73, p&lt; 0.05) and exchangeable calcium content (r= 0.66, p&lt; 0.05).

Glanders is a contagious disease of equids caused by the Gram-negative bacterium Burkholderia mallei. In Brazil, the disease is considered to be reemerging and has been expanding, with records of equids with positive serology in most of the federative units. However, there are few reports describing the genotypic detection of the agent. This study demonstrated the detection of B. malleiby species-specific PCR directly from tissues or from bacterial cultures, followed by amplicon sequencing in equids (equines, mules, and asinines) with positive serology for glanders in all five geographic regions of Brazil. The molecular evidence of B. malleiinfection in serologically positive equids in this study expands the possibility of strain isolation and the conduction of epidemiological characterizations based on molecular information. The microbiological detection of B. malleiin cultures from nasal and palate swabs, even in equids without clinical manifestations, raises the possibility of environmental elimination of the agent.

The reliability evaluation of deep neural networks (DNNs) executed on graphic processing units (GPUs) is a challenging problem, since the hardware architecture is highly complex, and the software frameworks are composed of many layers of abstraction. While software-level fault injection is a common and fast way to evaluate the reliability of complex applications, it may produce unrealistic results, since it has limited access to the hardware resources, and the adopted fault models may be too naive (i.e., single and double bit flips). Contrarily, physical fault injection with neutron beam provides realistic error rates but lacks fault propagation visibility. This article proposes a characterization of the DNN fault model combining both neutron beam experiments and fault injection at the software level. We exposed GPUs running general matrix multiplication (GEMM) and DNNs to beam neutrons to measure their error rate. On DNNs, we observe that the percentage of critical errors can be up to 61% and show that the error correction code (ECC) is ineffective in reducing critical errors. We then performed a complementary software-level fault injection, using fault models derived from register-transfer level (RTL) simulations. Our results show that by injecting complex fault models, the version 3 of you only look once (YOLOv3) misdetection rate is validated to be very close to the rate measured with beam experiments, which is $8.66\times $ higher than the one measured with fault injection using only single-bit flips.

Iridopsis panoplaProut (Lepidoptera: Geometridae) is an important lepidopteran defoliator of eucalyptus. I. panoplaeggs were collected naturally in a commercial plantation of Eucalyptus urograndisW. Hill (Myrtaceae) in Três Lagoas, Mato Grosso do Sul, Brazil. After nine days, the natural emergence of Trichogramma pretiosumRiley (Hymenoptera: Trichogrammatidae) occurred from I. panoplaeggs. Parasitism was evaluated under laboratory and field conditions, this being the first record for eucalyptus in Brazil. Based on the biological characteristics evaluated in the laboratory, I. panoplaeggs are suitable for T. pretiosumreproduction. The obtained percentage parasitism, particularly when 72,000 adult females of T. pretiosumper hectare were employed, provide valuable insights regarding the potential of T. pretiosumas an effective biological control agent against I. panoplain eucalyptus plantations.

Herein, the isolation of secondary metabolites from the aerial parts of Justicia aequilabrisguided by HPLC-MSnand molecular networking analyses is reported. Twenty-two known compounds were dereplicated. Three new lignans (aequilabrines A–C (1–3)) and three known compounds (lariciresinol-4′-O-β-glucose (4), roseoside (5), and allantoin (6)) were obtained. The anti-inflammatory activity of compounds 1–3was evaluated in vitroby inhibiting the nitric oxide production (NO) and pro-inflammatory activity on the cytokine IL-1β. Compounds 2and 3showed significant inhibitory activity against NO production, with IC50values of 9.1 and 7.3 μM, respectively. The maximum inhibition of IL-1β production was 23.5% (1), 27.3% (2), and 32.5% (3).

ABSTRACTLiterature discussing youth sport coaching indicates the importance of a holistic coaching approach, particularly related to the use of positive youth development (PYD) approaches promoting the development and transfer of life skills. However, in the shadow of recent sociopolitical movements such as Black Lives Matter and Me Too, raised awareness of mental health concerns and an ongoing global pandemic, there are calls for a reimagined perspective of PYD through a social justice worldview. The purpose of the current article is to posit how coach education programs and coach development systems can inclusively meet the diverse needs of coaches, youth athletes, and society alike. Specifically, two questions guided the development of this article: 1) Why should coach education and coach development integrate social justice life skills? and 2) How may social justice life skills be integrated into coach education and coach development? Ultimately, as researchers and coach developers, we must not only be advocates for social justice in youth sports, but critically engaged activists who progress youth – and societal – development forward.

This paper describes the architecture of a weather routing system consisting of two key elements: onboard monitoring and route optimiser sub-systems. The former is responsible for collecting various onboard measurements, such as current ship position or ship motion variables. These data, when gathered and processed, are then used for fine-tuning a ship model. The model, together with weather forecasts, is utilised by a multi-objective route optimiser to estimate forecasted ship responses during the voyage. The route optimiser has been developed in a client-server architecture to reallocate all necessary high-tech resources to the server side and keep the client software as simple and light as possible. The system also includes a module responsible for optimising transmission costs, to reduce onboard transmission during the voyage. The entire solution has been deployed onboard the demonstrator ship ‘Monte da Guia’ and tested during its operations at sea.

ABSTRACTThroughout the last decades, many researchers have devoted their time to understanding how sport can foster positive psychosocial attributes, such as life skills development and transfer in various youth sport settings. In this paper, we conduct a narrative review focused on coaches’ contributions to athletes’ psychosocial development across HP and Masters sport, as well as expand on future research directions and provide practical implications. In the first section,we focus on coaching practice and psychosocial development within HP sport. In the second section, we outline the nuances of coaching approaches for psychosocial development within Masters sport. In the last section, we provide directions for future research in this field and emphasise the need for lifelong learning and transfer of psychosocial attributes across adult sport.

We address the emerging challenge of school segregation within the context of free school choice systems. Households take into account both proximity and demographic composition when deciding on which schools to send their children to, potentially exacerbating residential segregation. This raises an important question: can we strategically intervene in transportation networks to enhance school access and mitigate segregation? In this paper, we propose a novel, network agent-based model to explore this question. Through simulations in both synthetic and real-world networks, we demonstrate that enhancing school accessibility via transportation network interventions can lead to a reduction in school segregation, under specific conditions. We introduce group-based network centrality measures and show that increasing the centrality of certain neighborhood nodes with respect to a transportation network can be an effective strategy for strategic interventions. We conduct experiments in two synthetic network environments, as well as in an environment based on real-world data from Amsterdam, the Netherlands. In both cases, we simulate a population of representative agents emulating real citizens’ schooling preferences, and we assume that agents belong to two different groups (e.g., based on migration background). We show that, under specific homophily regimes in the population, school segregation can be reduced by up to 35%. Our proposed framework provides the foundation to explore how citizens’ preferences, school capacity, and public transportation can shape patterns of urban segregation.

Purpose: COVID-19 has spread and continues to spread rapidly across the world. There is still no approved and effective treatment for the disease. Several drugs are being administered empirically to patients, based on results from studies with limited methodologies. There is an urgent need for systematic reviews to support decision makers and the development of guidelines. The purpose of this paper was to conduct a systematic review of drug studies carried out worldwide for COVID-19, verifying the effectiveness and methodological quality. Method: The search for relevant articles was performed in the Cochrane Central, MEDLINE, and Embase databases. The terms and combinations used for the search were ((coronavirus OR “2019-nCoV” OR 2019nCoV OR nCoV2019 OR “nCoV-2019” OR “COVID-19” OR COVID19 OR “HCoV-19” OR HCoV19 OR CoV OR “2019 novel*” OR Ncov OR “n-cov” OR “SARS-CoV-2” OR “SARSCoV-2” OR “SARSCoV2” OR “SARSCoV2” OR SARSCov19 OR “SARS-Cov19” OR “SARS-Cov-19”) OR “severe acute respiratory syndrome*” OR ((corona* OR corono*) AND (virus* OR viral* OR virinae*)) AND ((treatment) OR (medication) OR (symptoms)) AND (drugs)). The review process of the articles was carried out independently by four reviewers using the PRISMA-P method. Results: As a result, a total of 30 articles were selected, which addressed the study of one or more medications for severe cases of COVID-19, which were hydroxychloroquine (or chloroquine) and azithromycin, lopinavir/ritonavir, lopinavir/ritonavir, arbidol, and Shufeng Jiedu Capsule, Combinations: remdesivir/lopinavir/homoharringtonine/emetine, remdesivir, interferon, lopinavir and ritonavir, thalidomide/methylprednisolone, tocilizumab, antimicrobial therapy. Conclusion: Despite efforts and studies, research does not provide evidence for the use of any drug to treat COVID-19, as the effects, safety, and efficacy are still uncertain. Thus, there is a need for systematic reviews to monitor, synthesize, and update the literature data on the subject, generating reliable evidence for decision makers. COVID-19 should be monitored and the need to develop effective drugs and vaccines to prevent disease progression must be reinforced.

Purpose: The aim of this study was to carry out a systematic review of telemedicine technology and to discuss the role of legislation in the application of telemedicine technology within the scope of COVID-19. Methods: The search for papers was conducted in the databases Cochrane Central, MEDLINE, and Embase. The keywords considered for this systematic review were (coronavirus OR “2019-nCoV” OR 2019nCoV OR nCoV2019 OR “nCoV-2019” OR “COVID-19” OR COVID19 OR “HCoV-19” OR HCoV19 OR CoV OR “2019 novel*” OR Ncov OR “n-cov” OR “SARS-CoV-2” OR “SARSCoV-2” OR “SARSCoV2” OR “SARSCoV2” OR SARSCov19 OR “SARS-Cov19” OR “SARS-Cov-19” OR “severe acute respiratory syndrome*” OR ((corona* OR corono*) AND (virus* OR viral* OR virinae*))) AND ((telemedicine OR telehealth OR “remote assessment” OR telemonitoring)). The review process was carried out by six independent reviewers, using the PRISMA-P method. Results: As a result, a total of 34 papers were selected, which addressed the study of telemedicine technologies used in times of endemics, epidemics, and pandemics, focusing on COVID-19. Conclusion: Telemedicine allows for care in remote areas and at a lower cost to the patient and, in the current situation, it can reduce the number of contagions as well as the occupation of beds in health facilities. Telemedicine may suffer from limitations, mainly due to current legislation, but in this pandemic era of COVID-19, several countries around the world have made their laws more flexible to allow more widespread use of telemedicine.

Purpose: COVID-19 is a disease caused by SARS-CoV-2 (coronavirus type 2 of the severe acute respiratory syndrome), isolated in China, in December 2019. The strategy currently used by physicians is to control disease and to treat symptoms, including non-pharmacological treatments, as there is still no specific treatment for COVID-19. Thus, the aim of this article is to carry out a systematic review about non-pharmacological treatments used for COVID-19, addressing current status and consensus found in the literature. Methods: Three databases were consulted for evidence referring to the drugs indicated for COVID-19 (Cochrane Central, MEDLINE and Embase). The following terms and combinations were used: ((“2019-nCoV” OR 2019nCoV OR nCoV2019 OR “nCoV-2019” OR “COVID-19” OR COVID19 OR “HCoV-19” OR HCoV19 OR CoV OR “2019 novel*” OR Ncov OR “n-cov” OR “SARS-CoV-2” OR “SARSCoV-2” OR “SARSCoV2” OR “SARSCoV2” OR SARSCov19 OR “SARS-Cov19” OR “SARS-Cov-19”) OR “severe acute respiratory syndrome*” OR ((corona* OR corono*) AND (virus* OR viral* OR virinae*)) AND ((“lung injury”) OR (“ventilation use”) OR (“respiratory injuries” OR prone)) AND (treatment)) NOT Drugs NOT medicines NOT antivirals. Results: A total of 28 articles were selected. These articles adopted one or more treatment methods for patients with severe cases of COVID-19, i.e., oxygen therapy, prone position, inhaled nitric oxide, intravenous infusion, passive immunotherapy, mesenchymal stem cells (MSC). Conclusion: There is still no specific treatment approved for patients with COVID-19. The available evidence is not able yet to indicate the benefits or harms of non-pharmacological treatments, but some studies show that some treatments can play an important role in relation to COVID-19. The current consensus among researchers is that several studies using a randomized clinical trial should be carried out to provide evidence of safety and efficacy of the proposed treatments.

Ionic liquids have proved to be excellent heat transfer fluids and alternatives to common HTFs used in industries for heat exchangers and other heat transfer equipment. However, its industrial utilization depends on the cost per kg of its production, to be competitive for industrial applications with biphenyl and diphenyl oxide, alkylated aromatics, and dimethyl polysiloxane oils, which degrade above 200 °C and possess some environmental problems. The efficiency of a heat transfer fluid depends on the fundamental thermophysical properties influencing convective heat transfer (density, heat capacity, thermal conductivity, and viscosity), as these properties are necessary to calculate the heat transfer coefficients for different heat exchanger geometries. In Part 1, the thermophysical properties of pure 1-ethyl-3-methylimidazolium methanesulfonate [C2mim][CH3SO3] (CAS no. 145022-45-3), (ECOENG 110), produced by BASF, under the trade name of Basionics ST35, with an assay ≥97% with ≤0.5% water and ≤2% chloride (Cl–), were presented, for temperatures slightly below room temperature and up to 355 K. In this paper, we report the thermophysical properties of mixtures of [C2mim][CH3SO3] with water, in the whole concentration range, at P= 0.1 MPa. The properties measured were density and speed of sound (293.15 < T/K < 343.15), viscosity, electrical and thermal conductivities, refractive index (293.15 < T/K < 353.15), and infinite dilution diffusion coefficient of the ionic liquid in water (298.15 K). The properties for the mixture like the isobaric expansion coefficient, the isentropic compressibility, apparent molar volumes, apparent molar isentropic compressions, and the thermodynamic excess properties, like excess molar volume, excess molar isobaric expansion and isentropic compression, excess viscosity, thermal conductivity, molar refraction, and infinite dilution diffusion coefficients of the cation, anion and other common anions in ionic liquids were obtained within this temperature range. The validity of the Walden relation for this ionic liquid was also determined. This amount of experimental information, in addition to recent molecular simulation studies available in the literature give a clear picture of the structure of these binary mixtures and the influence of composition and temperature, paving the way to a technological discussion of the possible application of these mixtures as new heat transfer fluids or battery electrolytes.

Abstract: The determination of the absolute configuration of chiral bioactive natural products is a crucial step in their structural characterization. Several well-established techniques, such as X-ray crystallography, stereo-controlled organic synthesis, NMR, and chiroptical spectroscopy, are commonly used to this end. However, even today, the configurational analysis of natural products remains a challenge, with a significant number of reassignments being reported every year. Among chiroptical methods, vibrational circular dichroism (VCD) has emerged as an excellent tool for the assignment of the absolute configuration of structurally diverse chiral natural products directly in solution. This review covers the use of VCD spectroscopy to elucidate the absolute stereochemistry of natural products in Brazil over the last 20 years. Although the number of VCD investigations on secondary metabolites has increased, VCD can still be considered under-explored in Brazil. Therefore, herein, we aim to demonstrate the unparalleled stereochemical discriminatory power of VCD to assign both conformation and absolute configuration of natural products in conditions not commonly accessible to other techniques. Graphical abstract:

AbstractThis article offers insight about the creation and implementation of a self-directed online tool called Project SCORE (www.projectscore.ca) which aims to help coaches and parents foster positive youth development through sport. More specifically, in this paper we describe (a) how Project SCORE was created, (b) its evolution to enable better developmental outcomes across diverse socio-cultural contexts, (c) the lessons learned throughout the delivery of Project SCORE, and (d) future pathways for researchers, coaches, parents and other stakeholders interested in implementing Project SCORE.

Thermophysical properties of 1-butyl-3-methylimidazoliumtris(pentafluoroethyl) trifluorophosphate, [C4mim][(C2F5)3PF3] (CAS RN 917762-91-5) ionic liquid, were measured in the temperature range T= (283.15–353.15) K, at P= 0.1 MPa. These properties include density, isobaric heat capacity, speed of sound, refractive index, viscosity, and thermal conductivity and their correlation as a function of temperature. Data obtained were compared with the available literature, whenever available. Comparison of these results with those reported for ILs with the same cation or anion is presented and discussed. Derived quantities such as isobaric expansivity and isothermal and isentropic compressibility were also estimated. Arrhenius, Ghatee, Vogel–Fulcher–Tammann, and IUPAC equations were applied to correlate viscosity data dependence on temperature, the last one being more effective and accurate. An estimation method for thermal conductivity of ILs was applied. Calculated values by this equation deviate from the experimental data between −15.6% at 293 K and −17.9% at 353 K, within the mutual uncertainty of these data and estimation. The thermal conductivity of the IoNanofluid made from the dispersion of multi-walled carbon nanotubes (1% wt MWCNTs) in [C4mim][(C2F5)3PF3] was determined. The enhancement in thermal conductivity due to the presence of MWCNTs was found to vary between 4% at 293 K and 9.6% at 353 K, an average of 6.2%, weakly dependent on temperature.

This article presents new density data and some rheological studies on tris(2-ethylhexyl) trimellitate (TOTM) which has recently been proposed as a reference fluid for viscosity at high temperatures and high pressures. The density data have been obtained with the aid of an Anton Paar DMA HP U-tube instrument, covering temperatures from 328 to 423 K and pressures up to 70 MPa, and they are aimed at extending the temperature range of previous results. They are also used to check the effect of interlot consistency of the density data for TOTM. The present density measurements are compared with previously published data. Rheological tests were carried out to complement earlier studies. Particular attention is given to the shear rate range of greatest interest for the proposed use of TOTM as an industrial reference fluid for viscosity: the tests include shear stresses up to 750 Pa and shear rates up to 4000 s–1under atmospheric pressure. The tests were carried out using a Parallel Plate Rheometer AR1500ex10C4298. The results at a temperature of 298 K corroborate the previous findings that TOTM is Newtonian below a shear rate of 600 s–1, which is entirely compatible with its use as an industrial calibrating fluid for viscosity. At shear rates higher than 600 s–1a shear-thinning like behavior is observed.

Ionic liquids with the dicyanamide anion, namely, with 1-alkyl-imidazolium cations have been receiving attention recently due to their potential applications. The utilization of these liquids as heat-transfer fluids, specifically in small heat exchangers and microchannels for microprocessor cooling, is presently deemed highly feasible, as it can be both more efficient and environmentally acceptable. The heat-transfer equipment design that uses fluids requires knowledge of their thermophysical properties. If one or more fluid properties are considered inadequate, additives may be introduced to improve the performance in key aspects. Water can be used to lower viscosity and thermal conductivity, for example, if the working temperature range allows for it. In this paper, we report the most comprehensive measurements of thermophysical properties of the pure 1-ethyl-3-methylimidazolium dicyanamide, [C2mim][N(CN)2], and of its mixtures with water, in the whole concentration range, at P= 0.1 MPa. The properties measured were the density and speed of sound, electrical conductivity (293.15 < T/K < 343.15), thermal conductivity (293.15 < T/K < 353.15), and refractive index (293.15 < T/K < 343.15). Water-free values of the properties of the ionic liquid were obtained, following procedures previously developed. All the results obtained were analyzed and discussed in light of the current knowledge of the molecular structure and its effect on macroscopic behavior. Analysis of the ionicity of this aqueous ionic liquid mixture in the MacFarland scale shows that it is similar to that of [C2mim][CH3SO3] but much higher than that of [C2mim][CH3COO]. For the pure ionic liquid, ΔW= 0.18, 82% of that of 0.01 M KCl, with an ionicity of 66%. The thermal conductivity of the mixture and its variation with composition at a given temperature was analyzed using the Filaments Model, which was not capable of reproducing the experimental points. The structural behavior of the water mixtures was found to be qualitatively similar to previous molecular simulation data and experimental data on other ionic liquid + water mixtures, solidifying the previously proposed picture of the structure of these binary mixtures, as composition and temperature vary. This type of macroscopic behavior can pave the way to several applications, namely, in the fields of heat transfer/storage and battery electrolytes.

The phytochemical investigation of the leaves and trunk bark of a specimen of Ocotea aciphyllacollected in the southern portion of the Amazon forest led to the isolation of an oxabicyclo[3.2.2]nonane-type neolignan and 15 bicyclo[3.2.1]octanoid neolignans, 14 of which are unreported compounds (2–15), including one with an unusual oxidation pattern of the side chain at C-1′ and two rare 7.1′,8.3′-connected bicyclo[3.2.1]octanoid derivatives. Their structures and relative configurations were determined by extensive spectrometric analysis based on 1D- and 2D-NMR spectroscopy and HRESIMS data, while their absolute configurations were unambiguously assigned using electronic and vibrational circular dichroism data assisted by density functional theory calculations. Additionally, known sesquiterpenes, phenylpropanoids, and phytosterols were also isolated.

Pathogenic variants in solute carrier family 34, member 3 (SLC34A3), the gene encoding the sodium-dependent phosphate cotransporter 2c (NPT2c), cause hereditary hypophosphatemic rickets with hypercalciuria (HHRH). Here, we report a pooled analysis of clinical and laboratory records of 304 individuals from 145 kindreds, including 20 previously unreported HHRH kindreds, in which two novel SLC34A3 pathogenic variants were identified. Compound heterozygous/homozygous carriers show above 90% penetrance for kidney and bone phenotypes. The biochemical phenotype for heterozygous carriers is intermediate with decreased serum phosphate, tubular reabsorption of phosphate (TRP (%)), fibroblast growth factor 23, and intact parathyroid hormone, but increased serum 1,25-dihydroxy vitamin D, and urine calcium excretion causing idiopathic hypercalciuria in 38%, with bone phenotypes still observed in 23% of patients. Oral phosphate supplementation is the current standard of care, which typically normalizes serum phosphate. However, although in more than half of individuals this therapy achieves correction of hypophosphatemia it fails to resolve the other outcomes. The American College of Medical Genetics score correlated with functional analysis of frequent SLC34A3 pathogenic variants in vitroand baseline disease severity. The number of mutant alleles and baseline TRP (%) were identified as predictors for kidney and bone phenotypes, baseline TRP (%) furthermore predicted response to therapy. Certain SLC34A3/NPT2c pathogenic variants can be identified with partial responses to therapy, whereas with some overlap, others present only with kidney phenotypes and a third group present only with bone phenotypes. Thus, our report highlights important novel clinical aspects of HHRH and heterozygous carriers, raises awareness to this rare group of disorders and can be a foundation for future studies urgently needed to guide therapy of HHRH.

The fermentation of the melon has been used to produce alcoholical beverages. In this process, the metabolism of the yeasts respiro-fermentative is influenced by nitrogen addition and correcting of the pH. The respiro-fermentative behavior of two yeast in presence of ammonium phosphate and adjusted pH were determined per stoichiometric of the sugars breathed and fermented. The addition of ammonium phosphate reduced the lag phase of baker’s and CA-11 yeasts in the musts without pH adjustment. The highest rates of sugar fermentation were observed for baker's yeast with adjusted pH, while this same adjustment favored the respiratory metabolism in CA-11 yeast. The highest rates of sugar fermentation in musts with sole addition of ammonium phosphate were observed in CA-11 yeast. Therefore, the behavior respiro-fermentative of yeasts was different in presence of ammonium phosphate and pH adjustment during the fermentation of the melon.

•The present study is the first to identify and characterize a previously unknown microRNA, miR-7844-5p, that may be involved in cellular signaling cascades following repetitive head impact exposure.•miR-7844-5p directly targets messenger RNAs involved in mitochondrial apoptosis, autophagy regulation, and neurodegenerative disease.•microRNA cargo may be selectively packaged into small, extracellular vesicles following repetitive head impact exposure.

In this study, HPLC-PDA-HRMS-SPE-NMR data were used for initial analysis of the CH2Cl2fraction of an EtOH extract of the leaves of Picramnia glazioviana. The HRMS, UV, and NMR data obtained from the HPLC-PDA-HRMS-SPE-NMR analysis were used to direct semipreparative HPLC isolation toward nortriterpenoids, which resulted in the isolation of 18 new and highly oxygenated nortriterpenoids (1–3, 5–10, 12–19, and 21), named picravianes C–T. Their structures were determined on the basis of analysis of UV, HRMS, and 2D NMR spectroscopic data, including determination of the relative configuration on the basis of coupling pattern analysis and nuclear Overhauser effect correlations. The absolute configurations of compounds 7, 9, 10, 14, 15, 17, 18, 19, and 21were assigned using electronic circular dichroism data, and the cytotoxicity of compounds 6, 10, 14, 16, 17, 18, 19, and 21was evaluated against MDA-MB-231 triple-negative breast cancer, SKBR-3 Her2-overexpressing breast cancer, and A549 lung cancer cells lines. The isolated compounds contain a hitherto undescribed modification of the terminal backbone and/or E-ring, and a possible biosynthetic pathway for their formation is proposed.

Among the many techniques available for bariatric surgery, the Mini Gastric Bypass is a safe, technically simple and effective option. However, it may present with postoperative complications, being the perforated gastric ulcer one of the most relevant ones.

ABSTRACTCoaches may provide a positive development (PD) approach in which they focus on helping athletes develop personal and social skills needed in sport and other life domains. However, it is unclear how athletes perceive PD influences their development and their prospective entry into coaching after they have completed their athletic careers. The purpose of this study is to explore the transition of a high-performance athlete to a prospective PD-focused coach based on the influence of the athletes’ PD sport experiences. The participant was a 30-year-old male high-performance football athlete. An interpretative phenomenological analysis was used to develop a description of the athlete’s experiences. Findings highlighted that life skills throughout his career were considered key for the athlete’s development. These life skills provided an unique outlook for his interest in becoming a PD-focused coach. This study adds insight on how PD may influence coaches’ learning processes.

Achieving normal growth is one of the most challenging problems in the management of children with chronic kidney disease (CKD). Treatment with recombinant human growth hormone (GH) promotes longitudinal growth and likely enables children with CKD and short stature to reach normal adult height. Here, members of the European Society for Paediatric Nephrology (ESPN) CKD–Mineral and Bone Disorder (MBD), Dialysis and Transplantation working groups present clinical practice recommendations for the use of GH in children with CKD on dialysis and after renal transplantation. These recommendations have been developed with input from an external advisory group of paediatric endocrinologists, paediatric nephrologists and patient representatives. We recommend that children with stage 3–5 CKD or on dialysis should be candidates for GH therapy if they have persistent growth failure, defined as a height below the third percentile for age and sex and a height velocity below the twenty-fifth percentile, once other potentially treatable risk factors for growth failure have been adequately addressed and provided the child has growth potential. In children who have received a kidney transplant and fulfil the above growth criteria, we recommend initiation of GH therapy 1 year after transplantation if spontaneous catch-up growth does not occur and steroid-free immunosuppression is not a feasible option. GH should be given at dosages of 0.045–0.05 mg/kg per day by daily subcutaneous injections until the patient has reached their final height or until renal transplantation. In addition to providing treatment recommendations, a cost-effectiveness analysis is provided that might help guide decision-making.

X-linked hypophosphataemia (XLH) is the most common cause of inherited phosphate wasting and is associated with severe complications such as rickets, lower limb deformities, pain, poor mineralization of the teeth and disproportionate short stature in children as well as hyperparathyroidism, osteomalacia, enthesopathies, osteoarthritis and pseudofractures in adults. The characteristics and severity of XLH vary between patients. Because of its rarity, the diagnosis and specific treatment of XLH are frequently delayed, which has a detrimental effect on patient outcomes. In this Evidence-Based Guideline, we recommend that the diagnosis of XLH is based on signs of rickets and/or osteomalacia in association with hypophosphataemia and renal phosphate wasting in the absence of vitamin D or calcium deficiency. Whenever possible, the diagnosis should be confirmed by molecular genetic analysis or measurement of levels of fibroblast growth factor 23 (FGF23) before treatment. Owing to the multisystemic nature of the disease, patients should be seen regularly by multidisciplinary teams organized by a metabolic bone disease expert. In this article, we summarize the current evidence and provide recommendations on features of the disease, including new treatment modalities, to improve knowledge and provide guidance for diagnosis and multidisciplinary care.

AbstractCompetitive youth sport can provide solid grounds for positive youth development (PYD). However, there is need to understand if coaches are facilitating these types of outcomes. The purpose of this study was to analyze how competitive youth sport is used to facilitate PYD. The participants in this study were four youth football coaches and 19 adolescent athletes from competitive leagues at north of Portugal. Data were collected through semi-structured interviews, field notes and nonparticipant observations. The majority of the coaches communicated appropriately and facilitated positive interactions with youth athletes.  Nevertheless, the participants did not implement an explicit approach towards the development of confidence, character, connection and competence (i.e., 4 C’s) which has been linked to less PYD outcomes. Performance outcomes in certain moments superseded PYD ones. Moving forward, coaches need to comprehend how they can use their interpersonal knowledge to integrate the 4 C’s within competitive youth sport.

Sepsis-induced organ failure is characterized by a massive inflammatory response and oxidative stress. Acute kidney injury (AKI) occurs in approximately half of patients in septic shock, and the mortality associated with sepsis-induced AKI is unacceptably high. Klotho is a protein expressed by renal cells and has anti-senescence properties. Klotho has also been shown to protect the kidneys in ischemia-reperfusion injury and to have antioxidant properties. To analyze the role of Klotho in sepsis-related organ dysfunction and AKI, we used a cecal ligation and puncture (CLP) model of sepsis in heterozygous Klotho-haploinsufficient mice and their wild-type littermates (CLP-Kl/+ and CLP-WT mice, respectively). In comparison with the CLP-WT mice, CLP-Kl/+ mice showed lower survival, impaired renal function, impaired hepatic function, greater oxidative stress, upregulation of inflammatory pathways (at the systemic and kidney tissue levels), and increased NF-κB activation. It is noteworthy that CLP-Kl/+ mice also showed lower heart-rate variability, less sympathetic activity, impaired baroreflex sensitivity to sodium nitroprusside, and a blunted blood pressure response to phenylephrine. We also demonstrated that sepsis creates a state of acute Klotho deficiency. Given that low Klotho expression exacerbates sepsis and multiple organ dysfunction, Klotho might play a protective role in sepsis, especially in elderly individuals in whom Klotho expression is naturally reduced.

ABSTRACTThe teaching personal and social responsibility (TPSR) model has been considered a valuable tool for children to reach their full potential in life. However, little research has been conducted with the TPSR model in preschool contexts. The purpose of the present study was to understand the experiences of a program leader while implementing a TPSR-based program within a preschool setting. The participants were 24 children with 5 years of age attending a school located in the north of Portugal, and the program leader. Data sources included reflexive journaling, field notes and participant observations. Findings suggest the TPSR model could be adapted and implemented with preschool children. However, there is a need to consider specific adaptations to develop TPSR-based interventions and facilitate responsibility outcomes. This study provided a novel understanding of how TPSR may be implemented in a preschool context to foster social and emotional learning and enhance school readiness.

Sentinel lymph node biopsy in thin invasive primary cutaneous melanoma (up to 1mm thick) is a controversial subject. The presence of tumor-infiltrating lymphocytes could be a factor to be considered in the decision to perform this procedure.

This paper is concerned with the applicability of different strategies to improve the definition of prior probabilities and/or likelihoods of naïve Bayes (NB) classifiers. Standard NB method computes likelihoods and priors by means of normal distributions and evaluation of the entire training data-set, respectively. NB is one of the most prolific classification methods in data mining and machine learning. Despite decent efficiency facing good training data, NB classifiers present the intriguing assumption of conditional independence between the attributes. Several algorithms have been proposed to improve the effectiveness of NB classifiers by inserting discriminant approaches into its generative structure. From a reliability perspective, the standard NB approach might not explore the real capabilities of NB classifiers facing the lithologic classification problem. To cover such distrust, a novel approach considering four particular strategies are suggested and compared to the standard NB classification outcomes. At first, a kernel density estimation (KDE) is considered to ameliorate the likelihood models. We also apply the NB classifier in parts by separating the training data-set in individual wells in a committee architecture framework. A tuning strategy is also considered for automatic estimation of prior probabilities in an optimization-scheme. Another novel alternative, named as CRC, adapted to the standard NB classifier consists in defining priors based on depth zones from regional stratigraphic information in which to apply NB classifier. We prepare an extensive statistical investigation, based on precision, recall, classification errors, fscores and confusion matrices to bespeak the most relevant NB strategy for classification of electrofacies. Despite the decent classification outcomes for all above-mentioned strategies, CRC can be considered, by a narrow margin, the most prolific method to be applied as an improvement of the standard NB to classify rock units. Tests are performed on a validation well (i.e., 7-MP-50D-BA) of Massapê Field, in Recôncavo Basin, northeast Brazil to highlight the classification particularities provided by the improved strategy. A significant improvement in the classification of sandstones (i.e., from 68 % to 83 % accuracy) is observed, according to the confusion matrix analysis. Additionally, a minimal decreasing is observed into the classification of shales and slurries (i.e., from 92% to 90% and to 63% to 56%, respectively), which is acceptable according to the fscores and errors. This aspect reinforces the relevance of using the NB classifier jointly with previous geologic information to optimize the lithologic classification.

One of the most widely used strategies for performance analysis in different sports is notational analysis through direct observation of technical-tactical actions, which allows to understand the main indicators of sporting performance of the players, both individually and collectively. Football goalkeepers (GKs) are involved in the game differently when compared to the rest of the players in the team and, therefore, they develop different high-level and high-intensity tactical-technical actions. Therefore, the present work aimed to analyse the different performance indicators of football GKs through a search in the following databases: Web of Science (WOS), Scopus (Elsevier), PubMed (NIH) and, SPORTDiscus (EBSCO), until February 2023. The following keywords were used: "Football" or "Soccer", "Goalkeeper" and "Performance analysis". The results show that the main performance indicators are the percentage of avoided goals, the distribution of the ball at the goal kick as well as the number of offensive and defensive actions. Therefore, training sessions should be planned and implemented aimming to improve these skills.

The self-concept maintenance theory holds that many people will cheat in order to maximize self-profit, but only to the extent that they can do so while maintaining a positive self-concept. Mazar, Amir, and Ariely (2008, Experiment 1) gave participants an opportunity and incentive to cheat on a problem-solving task. Prior to that task, participants either recalled the Ten Commandments (a moral reminder) or recalled 10 books they had read in high school (a neutral task). Results were consistent with the self-concept maintenance theory. When given the opportunity to cheat, participants given the moral-reminder priming task reported solving 1.45 fewer matrices than did those given a neutral prime (Cohen’s d= 0.48); moral reminders reduced cheating. Mazar et al.’s article is among the most cited in deception research, but their Experiment 1 has not been replicated directly. This Registered Replication Report describes the aggregated result of 25 direct replications (total N= 5,786), all of which followed the same preregistered protocol. In the primary meta-analysis (19 replications, total n= 4,674), participants who were given an opportunity to cheat reported solving 0.11 more matrices if they were given a moral reminder than if they were given a neutral reminder (95% confidence interval = [−0.09, 0.31]). This small effect was numerically in the opposite direction of the effect observed in the original study (Cohen’s d= −0.04).

Srull and Wyer (1979) demonstrated that exposing participants to more hostility-related stimuli caused them subsequently to interpret ambiguous behaviors as more hostile. In their Experiment 1, participants descrambled sets of words to form sentences. In one condition, 80% of the descrambled sentences described hostile behaviors, and in another condition, 20% described hostile behaviors. Following the descrambling task, all participants read a vignette about a man named Donald who behaved in an ambiguously hostile manner and then rated him on a set of personality traits. Next, participants rated the hostility of various ambiguously hostile behaviors (all ratings on scales from 0 to 10). Participants who descrambled mostly hostile sentences rated Donald and the ambiguous behaviors as approximately 3 scale points more hostile than did those who descrambled mostly neutral sentences. This Registered Replication Report describes the results of 26 independent replications (N= 7,373 in the total sample; k= 22 labs and N= 5,610 in the primary analyses) of Srull and Wyer’s Experiment 1, each of which followed a preregistered and vetted protocol. A random-effects meta-analysis showed that the protagonist was seen as 0.08 scale points more hostile when participants were primed with 80% hostile sentences than when they were primed with 20% hostile sentences (95% confidence interval, CI = [0.004, 0.16]). The ambiguously hostile behaviors were seen as 0.08 points less hostile when participants were primed with 80% hostile sentences than when they were primed with 20% hostile sentences (95% CI = [−0.18, 0.01]). Although the confidence interval for one outcome excluded zero and the observed effect was in the predicted direction, these results suggest that the currently used methods do not produce an assimilative priming effect that is practically and routinely detectable.

Unusual conformations have been found in a new calix[8]arene and in new solvates of two known calix[6]arenes. The chair-like conformation with 2/mpoint group symmetry was found for the first time in the dimethylformamide (DMF) disolvate of the basic calix[6]arene (1) without substituents in the lower and upper rims. Such symmetry is driven by the guest geometry allowing for two equivalent hydrogen bonding patterns in the chair seat. This avoids cone distortion found in the other chair-like conformers, although they have energies lower than that of new symmetrical conformer. The molecular conformation of hexa(carboxymethoxy)calix[6]arene (2) is also described as a dimethylsulfoxide (DMSO) pentasolvate. Its conformation can be described as a 1,3,5-closed cone with three alternate phenyl rings inclined inwards to the cone, thereby closing the cone entrance. Such a conformation also suggests five acid groups are pointed towards the same side of the calyx base and are able to bind metal ions or basic compounds in the lower rim, while inclusion of guests into the cone cavity is hindered. Both inclusion and cooperative acid binding/coordination abilities are still more hindered in the lowest energy 1,2,3-alternate cone conformer of 2. The role of the solvent in avoiding cone distortion was highlighted by inspecting the conformations of 5,11,17,23,29,35,41,47-octanitro-49,50,51,52,53,54,55,56-octa-n-butoxycalix[8]arene (3) and the known nitro analogues having methyl instead of n-butyl groups. Cone distortion is found in the non-solvated crystal form of 3, while non-classical hydrogen bonds with tetrahydrofuran preclude this in the literature analogue.

Mutations in the gene that encodes the enzyme acetolactate synthase (ALS), conferring plant resistance to ALS inhibitor herbicides, can reduce or inhibit enzymatic function. The objective of this work was to determine the functionality and kinetic characteristics of the enzyme ALS and evaluate the action of the herbicides imazapic (imidazolinone) and metsulfuron-methyl (sulfonylurea) on the activity of the enzyme ALS in canola hybrid Hyola 571CL (imidazolinone resistant), compared to hybrids Hyola 555TT (triazine resistant) and Hyola 61 (conventional). The plants were grown in a greenhouse, and leaves were collected to perform ALS activity analysis. The concentration of pyruvate to provide initial velocity equal to half the maximum reaction rate (Km) and the maximum reaction rate (Vmax) was determined, as well as the enzyme's activity in the presence of imazapic and metsulfuron-methyl inhibitors. There was no change in the Km and Vmax in the hybrid Hyola 571CL in relation to Hyola 61. The hybrid Hyola 555TT presented Vmax higher than the other hybrids. In the hybrid Hyola 571CL, the activity of ALS was reduced only by the application of metsulfuron-methyl, and the functionality of the enzyme did not change in relation to the other hybrids. The hybrid Hyola 571CL is resistant only to the imidazolinone group herbicide and this resistance does not cause adaptive cost in relation to the other hybrids. [ABSTRACT FROM AUTHOR]