Electrophilic behavior of 3-methyl-2-methylthio-1,3,4-thiadiazolium salts: A multimodal theoretical approach

The chemical reactivity of 3-methyl-2-methylthio-1,3,4-thiadiazolium salts towards a variety of nucleophiles has been examined from several theoretical points of view including thermochemical analysis of the global reactions, the evaluation of aromaticity-related parameters - ASE (Aromatic Stabilization Energy), NICS (Nucleus Independent Chemical Shift), HOMA (Harmonic Oscillator Model of Aromaticity) - for the resulting products, the qualitative application of the HSAB- (Hard- and Soft- Acid and Bases) principle, quantitative calculation of DFT- (Density Functional Theory)- derived local and group properties such as softness and philicity, as well as the estimation of interaction energies. Two well-distinguished reaction paths are characterized depending on the nucleophilicity of the reagent. ©ARKAT

CASA-Mot technology: how results are affected by the frame rate and counting chamber

For over 30 years, CASA-Mot technology has been used for kinematic analysis of sperm motility in different mammalian species, but insufficient attention has been paid to the technical limitations of commercial computer-aided sperm analysis (CASA) systems. Counting chamber type and frame rate are two of the most important aspects to be taken into account. Counting chambers can be disposable or reusable, with different depths. In human semen analysis, reusable chambers with a depth of 10 mm are the most frequently used, whereas for most farm animal species it is more common to use disposable chambers with a depth of 20 mm. The frame rate was previously limited by the hardware, although changes in the number of images collected could lead to significant variations in some kinematic parameters, mainly in curvilinear velocity (VCL). A frame rate of 60 frames s(-1) is widely considered to be the minimum necessary for satisfactory results. However, the frame rate is species specific and must be defined in each experimental condition. In conclusion, we show that the optimal combination of frame rate and counting chamber type and depth should be defined for each species and experimental condition in order to obtain reliable results

Computed tomography evaluation of gilt growth performance and carcass quality under feeding restrictions and compensatory growth effects on the sensory quality of pork

Restricted feed can affect the body composition of pigs. Body composition can be studied non-destructively in live pigs using computed tomography (CT). The objective was to investigate the effect of different feeding restriction strategies on the productive and carcass quality parameters of gilts during growth via CT images and the effects of such strategies on meat quality, sensory properties and consumer preferences. Moreover, we sought to determine whether CT is a suitable tool for this purpose in this type of study. Thus, 36 Pietrain x (Large White x Landrace) gilts were assigned to the following three feeding strategies: 1) ad libitum feeding (AL) during all fattening periods (AL-AL); 2) AL feeding between 30 and 70 kg target body weight (TBW) followed by restriction (84% of AL) until 120 kg TBW (AL-RV); and 3) restriction feeding (78% of AL) between 30 and 70 kg TBW followed by AL until 120 kg TBW (RV-AL). When the pigs reached 30, 70, 100 and 120 kg, they were CT scanned to obtain the carcass composition parameters. At 120 kg TBW, the pigs were slaughtered, and the carcass and meat quality was determined. The loins were collected for trained panel evaluation and consumer tests. The panellists evaluated the odour, flavour and texture attributes of cooked loins. A total of 120 consumers scored the overall acceptability, tenderness, odour and flavour. The results showed a decrease of 76% and 80% in the average daily gain and average daily feed intake during the restriction period compared with the ad libitum in the growth phase, respectively, and a decrease of 89% and 87% in these parameters during the fattening phase, respectively. A restriction reduces the body fat content during the period of the restriction. Differences in the carcass and cut composition and meat quality were not observed at the end of the experiment among the treatments. Regarding sensory quality, meat from the animals in the AL-AL treatment was tougher than that from animals in the RV-AL and AL-RV treatments. Nevertheless, these differences were not detected by consumers, who did not provide significantly different scores for acceptability. Thus, when preparing feeding strategies, these results should be considered to optimize costs and increase benefits. Furthermore, computed tomography represents a non-destructive technology suitable for determining carcass composition before slaughter.info:eu-repo/semantics/acceptedVersio

Exploring the Relationship Between the Acceptability of an Internet-Based Intervention for Depression in Primary Care and Clinical Outcomes: Secondary Analysis of a Randomized Controlled Trial

Background: Depression is one of the most prevalent psychological disorders worldwide. Although psychotherapy for depression is effective, there are barriers to its implementation in primary care in Spain. The use of the Internet has been shown to be a feasible solution. However, the acceptability of Internet-based interventions has not been studied sufficiently. Objective: To assess the acceptability of an Internet-based intervention (IBI) for depression in primary care, and explore the relationship between expectations and satisfaction and the improvement in the clinical variables in primary care patients receiving this intervention. Furthermore, it offers data about the effects of some sociodemographic characteristics on these acceptability variables and analyzes whether the expectations are related to finalizing the intervention. Methods: Data were based on depressive patients who were participants in a randomized controlled trial. In the present study, we present the data from all the participants in the Internet intervention groups (N = 198). All the participants filled out the expectation and satisfaction scales (six-item scales regarding treatment logic, satisfaction, recommending, usefulness for other disorders, usefulness for the patient, and unpleasantness), the Beck Depression Inventory-II, and the secondary outcome measures: depression and anxiety impairment, and positive and negative affect. Results: Results showed that participants'' expectations and satisfaction with the program were both high and differences in expectations and satisfaction depended on some sociodemographic variables (age: older people have higher expectations; sex: women have greater satisfaction). A positive relationship between these variables and intervention efficacy was found: expectations related to "usefulness for the patient" were a statistically related predictor to the results on the BDI-11 (Beta = 0.364), and the perception of how logical the treatment is (Beta = 0.528) was associated with change in the clinical variable. Furthermore, the higher the expectations, the higher the improvements exhibited by the patients in all measures evaluated during the ten intervention modules. High expectations were also directly related to finalizing the intervention. Conclusions: This is the first study in Spain to address this issue in the field of IBIs for depression in primary care. The IBI showed high acceptance related to the intervention''s efficacy and completion. Research on IBI acceptability could help to implement the treatment offered

Exploring the Relationship Between the Acceptability of an Internet-Based Intervention for Depression in Primary Care and Clinical Outcomes: Secondary Analysis of a Randomized Controlled Trial

Background: Depression is one of the most prevalent psychological disorders worldwide. Although psychotherapy for depression is effective, there are barriers to its implementation in primary care in Spain. The use of the Internet has been shown to be a feasible solution. However, the acceptability of Internet-based interventions has not been studied sufficiently. Objective: To assess the acceptability of an Internet-based intervention (IBI) for depression in primary care, and explore the relationship between expectations and satisfaction and the improvement in the clinical variables in primary care patients receiving this intervention. Furthermore, it offers data about the effects of some sociodemographic characteristics on these acceptability variables and analyzes whether the expectations are related to finalizing the intervention. Methods: Data were based on depressive patients who were participants in a randomized controlled trial. In the present study, we present the data from all the participants in the Internet intervention groups (N = 198). All the participants filled out the expectation and satisfaction scales (six-item scales regarding treatment logic, satisfaction, recommending, usefulness for other disorders, usefulness for the patient, and unpleasantness), the Beck Depression Inventory-II, and the secondary outcome measures: depression and anxiety impairment, and positive and negative affect. Results: Results showed that participants'' expectations and satisfaction with the program were both high and differences in expectations and satisfaction depended on some sociodemographic variables (age: older people have higher expectations; sex: women have greater satisfaction). A positive relationship between these variables and intervention efficacy was found: expectations related to "usefulness for the patient" were a statistically related predictor to the results on the BDI-11 (Beta = 0.364), and the perception of how logical the treatment is (Beta = 0.528) was associated with change in the clinical variable. Furthermore, the higher the expectations, the higher the improvements exhibited by the patients in all measures evaluated during the ten intervention modules. High expectations were also directly related to finalizing the intervention. Conclusions: This is the first study in Spain to address this issue in the field of IBIs for depression in primary care. The IBI showed high acceptance related to the intervention''s efficacy and completion. Research on IBI acceptability could help to implement the treatment offered

A mindfulness and compassion-based program applied to pregnant women and their partners to decrease depression symptoms during pregnancy and postpartum: Study protocol for a randomized controlled trial

Background: Pregnancy and the postpartum period are times of great change for women and their partners, often bringing substantial challenges and stress. Approximately 10%-20% of women suffer from mood disorders such as depression in the perinatal period. There are risks involved in using psychopharmacological interventions to treat perinatal depression. Mindfulness and compassion-based educational programs could be efficacious and cost-effective options for the prevention and treatment of perinatal mood disorders. The aim of this study is to assess the efficacy of an adapted Mindfulness-Based Childbirth and Parenting (MBCP) program that includes compassion training for pregnant women in primary care (PC) settings in the Spanish National Health System to decrease perinatal depression. Methods: A multicenter randomized controlled trial (RCT) will be conducted. Participants will be pregnant women (n = 122) and their partners who wish to participate. They will be enrolled and assessed in PC settings and randomly assigned to either: (1) an adapted MBCP educational program tailored to the Spanish National Health System + treatment as usual (TAU); or (2) TAU only. The main outcome to be assessed will be depression, evaluated with the Edinburgh Postnatal Depression Scale (EPDS). Secondary outcomes will include self-reported measures of perceived stress, affects, mindfulness, self-compassion, maternal self-efficacy, and use of health and social services. Patients will be assessed at four timepoints: baseline; post-treatment; and at three and six months after childbirth. Intention-to-treat and per-protocol analyses will be carried out using linear regression mixed models. Effect sizes will be estimated using Cohen''s d. Discussion: Perinatal depression is a significant health problem. An effective and low-cost childbirth education program that incorporates mindfulness and compassion practices may be a beneficial preventive complementary healthcare modality for expectant women and their partners. This study will be the first multicenter RCT in Spanish PC settings using adapted MBCP and compassion practices to reduce symptoms of depression during pregnancy and the postpartum period

Computational Evolution Protocol for Peptide Design

Computational peptide design is useful for therapeutics, diagnostics, and vaccine development. To select the most promising peptide candidates, the key is describing accurately the peptide-target interactions at the molecular level. We here review a computational peptide design protocol whose key feature is the use of all-atom explicit solvent molecular dynamics for describing the different peptide-target complexes explored during the optimization. We describe the milestones behind the development of this protocol, which is now implemented in an open-source code called PARCE. We provide a basic tutorial to run the code for an antibody fragment design example. Finally, we describe three additional applications of the method to design peptides for different targets, illustrating the broad scope of the proposed approach

Modelagem do crescimento de culturas: aplicações à cultura do milho.

Características gerais dos modelos de culturas; Principais modelos de culturas; Possibilidades de aplicação dos modelos de cultura; Aplicação no manejo da cultura; Aplicação na análise da resposta de culturas à irrigação e no planejamento do uso de recursos hídricos; Aplicação no manejo de nitrogênio; Aplicação na avalização de risco climático e no prognóstico de safras; Aplicação na análise da sustentabilidade de sistemas de sucessão de culturas; Aplicação em estudos de variabilidade espacial e em manejo sítio-específico; Aplicação no planejamento de uso da terra e dos recursos naturais; Aplicação na genética e melhoramento e na análise da interação genótipo x ambiente; Aplicação na simulação do efeito de pragas, doenças e plantas daninhas; Aplicação nos estudos de mudanças climáticas; Aplicação como ferramenta de educação e transferência de tecnologia; Limitações dos modelos de crescimento de culturas; Potencialidades de aplicação de modelos de simulação de culturas no Brasil.bitstream/CNPMS-2010/22537/1/Doc-91.pd

Cost-Utility of Mindfulness-Based Stress Reduction for Fibromyalgia versus a Multicomponent Intervention and Usual Care: A 12-Month Randomized Controlled Trial (EUDAIMON Study)

Fibromyalgia (FM) is a prevalent, chronic, disabling, pain syndrome that implies high healthcare costs. Economic evaluations of potentially effective treatments for FM are needed. The aim of this study was to analyze the cost-utility of Mindfulness-Based Stress Reduction (MBSR) as an add-on to treatment-as-usual (TAU) for patients with FM compared to an adjuvant multicomponent intervention (FibroQoL) and to TAU. We performed an economic evaluation alongside a 12 month, randomized, controlled trial; data from 204 (68 per study arm) of the 225 patients (90.1%) were included in the cost-utility analyses, which were conducted both under the government and the public healthcare system perspectives. The main outcome measures were the EuroQol (EQ-5D-5L) for assessing Quality-Adjusted Life Years (QALYs) and improvements in health-related quality of life, and the Client Service Receipt Inventory (CSRI) for estimating direct and indirect costs. Incremental cost-effectiveness ratios (ICERs) were also calculated. Two sensitivity analyses (intention-to-treat, ITT, and per protocol, PPA) were conducted. The results indicated that MBSR achieved a significant reduction in costs compared to the other study arms (p < 0.05 in the completers sample), especially in terms of indirect costs and primary healthcare services. It also produced a significant incremental effect compared to TAU in the ITT sample (Delta QALYs = 0.053, p < 0.05, where QALYs represents quality-adjusted life years). Overall, our findings support the efficiency of MBSR over FibroQoL and TAU specifically within a Spanish public healthcare context