Exploring the effects of COVID-19-related traumatic events on the mental health of university students in Brazil: A cross-sectional investigation.

University students are vulnerable to mental health issues during their academic lives. During the COVID-19 pandemic, university students faced mental distress due to lockdowns and the transition to e-learning. However, it is not known whether these students were also affected specifically by COVID-19-related traumatic events. This study examined the impact of COVID-19-related traumatic events on 2277 university students from two federal institutions of higher education in Brazil. The university students completed an online questionnaire covering demographics, lifestyle habits, health characteristics, COVID-19-related traumatic events, and depression, anxiety, and stress symptoms. The results showed that an increased intensity of COVID-19-related traumatic events was positively associated with stress, anxiety, and depressive symptoms, and each specific type of event was associated with these symptoms. In addition, we found a negative association between these symptoms and male sex and age and a positive association with having or having had a history of cardiovascular, respiratory, neurological, or mental disorders or another disease diagnosed by a physician. In conclusion, this study emphasizes the heightened risk of mental health issues in university students in the face of COVID-19-related traumatic events. Women, young people and people who have or have had a history of disease were the most vulnerable to mental health issues during the COVID-19 pandemic.

On the quantitative analysis of lamellar collagen arrangement with second-harmonic generation imaging.

Second harmonic generation (SHG) allows for the examination of collagen structure in collagenous tissues. Collagen is a fibrous protein found in abundance in the human body, present in bones, cartilage, the skin, and the cornea, among other areas, providing structure, support, and strength. Its structural arrangement is deeply intertwined with its function. For instance, in the cornea, alterations in collagen organization can result in severe visual impairments. Using SHG imaging, various metrics have demonstrated the potential to study collagen organization. The discrimination between healthy, keratoconus, and crosslinked corneas, assessment of injured tendons, or the characterization of breast and ovarian tumorous tissue have been demonstrated. Nevertheless, these metrics have not yet been objectively evaluated or compared. A total of five metrics were identified and implemented from the literature, and an additional approach adapted from texture analysis was proposed. In this study, we analyzed their effectiveness on a ground-truth set of artificially generated fibrous images. Our investigation provides the first comprehensive assessment of the performance of multiple metrics, identifying both the strengths and weaknesses of each approach and providing valuable insights for future applications of SHG imaging in medical diagnostics and research.

Melatonin improves the viability and ultrastructure of bovine oocyte-granulosa complexes of in vitro cultured early antral follicles.

This study aims to investigate the effects of melatonin on follicular growth, viability and ultrastructure, as well as on the levels of mRNA for antioxidant enzymes, reactive oxygen species (ROS) and meiotic progression in oocytes from in vitro cultured bovine early antral follicles. To this end, isolated early antral follicles (500-600 µm) were cultured in TCM-199+ alone or supplemented with 10-6 , 10-7 or 10-8 M melatonin at 38.5°C with 5% CO2 for 8 days. Follicle diameters were evaluated at days 0, 4 and 8 of culture. At the end of culture, ultrastructure, chromatin configuration, viability (calcein-AM and ethidium homodimer-1 staining), and the levels of ROS and mRNA for catalase (CAT), superoxide dismutase (SOD) and peroxiredoxin 6 (PRDX6) and glutathione peroxidase (GPx) were investigated in oocyte-granulosa cell complexes (OGCs). The results showed that early antral follicles cultured with 10-6 and 10-8 M melatonin had a progressive and significant increase in their diameters throughout the culture period (p < .05). Additionally, oocytes from follicles cultured with 10-7 or 10-8 M melatonin had increased fluorescence for calcein-AM, while those cultured with 10-6 or 10-7 M had reduced fluorescence for ethidium homodimer-1. Different from follicles cultured in other treatments, those cultured with 10-8 M melatonin had well-preserved ultrastructure of oocyte and granulosa cells. Melatonin, however, did not influence the levels of ROS, the mitochondrial activity, oocyte meiotic resumption and expression mRNA for SOD, CAT, GPX1 and PRDX6. In conclusion, the presence of 10-8 M melatonin in culture medium improves viability and preserves the ultrastructure of oocyte and granulosa cells of early antral follicles cultured in vitro.

Cardiac Arrest in the Post-anesthesia Care Unit (PACU): Postoperative Recurrence of Neuromuscular Block After Sugammadex Reversal.

Sugammadex has transformed clinical practice by enabling the rapid reversal of rocuronium-induced neuromuscular block (NMB) at any depth. We present a case of cardiac arrest following postoperative recurarization despite the sugammadex-induced transient reversal of NMB. Despite its proven clinical reliability, this case highlights the often overlooked aspects that must be considered when using this drug. An 84-year-old male patient was scheduled for a laparoscopic partial gastrectomy for gastric cancer. At the end of the procedure, reversal of NMB was evidenced by an acceleromyographic train-of-four (TOF) ratio of ≥0.9 following sugammadex administration. In the post-anesthesia care unit (PACU), pulseless electrical activity was perceived, with a regression of TOF count to 1. After providing successful advanced cardiac life support, additional sugammadex administration led to uneventful extubation. When the concentration of free rocuronium decreases in the central compartment following sugammadex administration, redistribution of rocuronium from the peripheral to the central and effect-site compartments may cause recurarization. Special care is required in cases involving obese and elderly patients as well as those with renal impairment or hypothermia. To provide effective and predictable reversal of NMB, proper use of sugammadex should be pursued, including adequate dosing and monitoring.

Applications of Mass Spectrometry in the Characterization, Screening, Diagnosis, and Prognosis of COVID-19.

Mass spectrometry (MS) is a powerful analytical technique that plays a central role in modern protein analysis and the study of proteostasis. In the field of advanced molecular technologies, MS-based proteomics has become a cornerstone that is making a significant impact in the post-genomic era and as precision medicine moves from the research laboratory to clinical practice. The global dissemination of COVID-19 has spurred collective efforts to develop effective diagnostics, vaccines, and therapeutic interventions. This chapter highlights how MS seamlessly integrates with established methods such as RT-PCR and ELISA to improve viral identification and disease progression assessment. In particular, matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) takes the center stage, unraveling intricate details of SARS-CoV-2 proteins, revealing modifications such as glycosylation, and providing insights critical to formulating therapies and assessing prognosis. However, high-throughput analysis of MALDI data presents challenges in manual interpretation, which has driven the development of programmatic pipelines and specialized packages such as MALDIquant. As we move forward, it becomes clear that integrating proteomic data with various omic findings is an effective strategy to gain a comprehensive understanding of the intricate biology of COVID-19 and ultimately develop targeted therapeutic paradigms.

Using underutilized residues of coffee to obtain valuable dietary and antioxidant bioactive compounds.

BACKGROUND: Coffee cultivation and agroindustry generate residues that are rich in several metabolites. These compounds, such as phenolic compounds and alkaloids, are known for their antioxidant activity and are usually consumed as nutraceuticals. The purpose of this study was to evaluate the occurrence of chemical and antioxidant components of low-pruned coffee stems under different fertilizer regimes. Extractives and lignin composition, histochemical, chromatographic, and antioxidant analyses were performed. RESULTS: Multiple compounds were found to accumulate in the stems of coffee trees. Furthermore, the presence of phenolic compounds such as chlorogenic acid, vanillin, resveratrol, and the alkaloids caffeine and trigonelline varied depending on the type of fertilization. In all samples examined, optimal performance was observed at the highest tested concentration (500 µg mL-1 ). All samples analyzed presented a great performance at the highest concentration tested (500 µg mL-1 ), with the dose 70% and the dose 100%, which is the recommended for the culture, showing the highest values for most of the concentrations and the best half-maximal inhibitory concentration (IC50 ) when compared with the other samples tested. CONCLUSION: As shown in the results, the reuse of stem residues as antioxidant material, with the potential to be profitable, and has the added benefit of providing a sustainable destination for material that until now has been underutilized. © 2023 Society of Chemical Industry.

Cardiac function, myocardial fat deposition, and lipid profile in young smokers: a cross-sectional study.

Background: There is a possibility that cardiac morphometric characteristics are associated with the lipid profile, that is, the composition and concentration of triglycerides, total cholesterol, HDL, LDL, and others lipoproteins in young smokers without comorbidities. Thus, this study aimed to evaluate the association of cardiac morphometric characteristics, myocardial fat deposition, and smoking cessation with the lipid profile of young smokers. Methods: A clinical and laboratory evaluation of lipids and the smoking status was performed on 57 individuals, including both a smoker group and a control group. Cardiac magnetic resonance imaging (MRI) with proton spectroscopy was performed to identify cardiac changes and triglyceride (TG) deposition in myocardial tissue. Results: No differences were observed between the groups (control vs. smokers) in relation to the amount of myocardial TG deposition (p = 0.47); however, when TG deposition was correlated with cardiac MRI variables, a positive correlation was identified between smoking history and myocardial TG deposition [hazard ratio (95% CI), 0.07 (0.03-0.12); p = 0.002]. Furthermore, it was observed that the smoking group had lower high-density lipoprotein cholesterol [51 (45.5-59.5) mg/dl vs. 43 (36-49.5) mg/dl, p = 0.003] and higher TG [73 (58-110) mg/dl vs. 122 (73.5-133) mg/dl, p = 0.01] and very-low-density lipoprotein cholesterol [14.6 (11.6-22.2) mg/dl vs. 24.4 (14.7-26.6) mg/dl, p = 0.01] values. In the control and smoking groups, a negative correlation between TGs and the diameter of the aortic root lumen and positive correlation with the thickness of the interventricular septum and end-diastolic volume (EDV) of both the right ventricle (RV) and left ventricle (LV) were noted. Moreover, in the RV, positive correlations with the end-systolic volume (ESV) index (ESVI), stroke volume (SV), ESV, and EDV were observed. Regarding serum free fatty acids, we found a negative correlation between their values and the diameter of the lumen of the ascending aortic vessel. Lipoprotein lipase showed a positive correlation with the SV index of the RV and negative correlation with the diameter of the lumen of the ascending aortic vessel. Conclusion: Several associations were observed regarding cardiac morphometric characteristics, myocardial fat deposition, and smoking cessation with the lipid profile of young smokers.

A Web-Based COVID-19 Tool for Testing Residents in Retirement Homes: Development Study.

BACKGROUND: Long-term care facilities have been widely affected by the COVID-19 pandemic. Empirical evidence demonstrated that older people are the most impacted and are at higher risk of mortality after being infected. Regularly testing care facility residents is a practical approach to detecting infections proactively. In many cases, the care staff must perform the tests on the residents while also providing essential care, which in turn causes imbalances in their working time. Once an outbreak occurs, suppressing the spread of the virus in retirement homes (RHs) is challenging because the residents are in contact with each other, and isolation measures cannot be widely enforced. Regular testing strategies, on the other hand, have been shown to effectively prevent outbreaks in RHs. However, high-frequency testing may consume substantial staff working time, which results in a trade-off between the time invested in testing and the time spent providing essential care to residents. OBJECTIVE: We developed a web application (Retirement Home Testing Optimizer) to assist RH managers in identifying effective testing schedules for residents. The outcome of the app, called the "testing strategy," is based on dividing facility residents into groups and then testing no more than 1 group per day. METHODS: We created the web application by incorporating influential factors such as the number of residents and staff, the average rate of contacts, the amount of time spent to test, and constraints on the test interval and size of groups. We developed mixed integer nonlinear programming models for balancing staff workload in long-term care facilities while minimizing the expected detection time of a probable infection inside the facility. Additionally, by leveraging symmetries in the problem, we proposed a fast and efficient local search method to find the optimal solution. RESULTS: Considering the number of residents and staff and other practical constraints of the facilities, the proposed application computes the optimal trade-off testing strategy and suggests the corresponding grouping and testing schedule for residents. The current version of the application is deployed on the server of the Where2Test project and is accessible on their website. The application is open source, and all contents are offered in English and German. We provide comprehensive instructions and guidelines for easy use and understanding of the application's functionalities. The application was launched in July 2022, and it is currently being tested in RHs in Saxony, Germany. CONCLUSIONS: Recommended testing strategies by our application are tailored to each RH and the goals set by the managers. We advise the users of the application that the proposed model and approach focus on the expected scenarios, that is, the expected risk of infection, and they do not guarantee the avoidance of worst-case scenarios.

Domain-general but not speech-specific auditory duration perception predicts pseudoword reading in adults.

Associations between reading performance and duration perception have been found both for domain-general and speech-specific duration perception. However, research seems limited to children and, critically, the predictive value of the two duration perception modalities has not been compared so far. In the present study we compared the weight of domain-general (comparison of time intervals defined by beeps) vs. speech-specific duration perception (pre-attentive EEG responses to consonants with different durations) as statistical predictors of reading in a sample of 46 neurotypical adults (18-43 years old) with 13 years of schooling on average. Reading included word and pseudoword decoding, as well as reading comprehension. We ran one regression model with domain-general and speech-specific duration perception as predictors for each of the three reading skills. Pseudoword decoding was the only reading skill that was significantly predicted by duration perception, and this happened for domain-general duration perception only. A complementary analysis adding 26 typically developing and 24 dyslexic adults to the main sample (n = 96 in total) showed the same pattern of results in dyslexics, but not in added controls. Our findings strengthen the idea that duration perception is important to phonological encoding and its use in grapheme-to-phoneme conversion, given that only pseudoword decoding was predicted by the interval comparison task. The irrelevance of speech-specific duration perception tones down the possibility that accurately perceiving the length of speech sounds is crucial to skilled reading.

Effects of cyclic adenosine monophosphate modulating agents during oocyte pre-maturation and the role of melatonin on in vitro maturation of bovine cumulus-oocyte complexes.

This study investigated the effects of cyclic adenosine monophosphate modulating during cumulus-oocyte complexes (COCs) pre-maturation and the role of melatonin on in vitro maturation (IVM) of bovine COCs. In experiment one, COCs were pre-matured for 8 h in control medium or with 3-isobutyl-1-methylxanthine (IBMX) and forskolin, IBMX and C-type natriuretic peptide, c-type natriuretic peptide and forskolin or IBMX, forskolin and c-type natriuretic peptide. Then, meiotic progression was evaluated. In experiment two, COCs were pre-matured, followed by IVM in control medium alone or with 10-6, 10-7 or 10-8 M melatonin. After IVM, chromatin configuration, transzonal projections (TZPs), reactive oxygen species, mitochondrial distribution, ultrastructure and mRNA expression for antioxidant enzymes were evaluated. In experiment 1, COCs pre-matured with both C-type natriuretic peptide and forskolin or C-type natriuretic peptide, forskolin and IBMX had lower meiotic resumption rate when compared to control. Considering that IBMX had not an additional effect to potentiate inhibition of meiotic resumption, a combination of C-type natriuretic peptide and forskolin was chosen. In experiment 2, COCs matured with 10-8 M melatonin had greater rates of meiotic resumption when compared to the other treatments (P < 0.05). The COCs matured with 10-7 or 10-8 M melatonin had greater mitochondrial activity (P < 0.05), while those matured with 10-6 or 10-8 M of melatonin had greater levels of TZPs. Ultrastructure of oocyte and cumulus cells after IVM with melatonin was relatively well preserved. COCs matured with 10-8 M melatonin increased mRNA expression for superoxide dismutase (SOD) and catalase (CAT) (P < 0.05), when compared to non-cultured and pre-matured COCs, respectively. In conclusion, bovine COC pre-maturation with C-type natriuretic peptide and forskolin, followed by IVM with 10-8 M melatonin improves meiotic resumption rates, TZPs, mitochondrial distribution and mRNA expression for SOD and CAT.

Duration perception for visual stimuli is impaired in dyslexia but deficits in visual processing may not be the culprits.

Dyslexics underperform controls in estimating and comparing time intervals defined by visual stimuli. Accuracy in vision-based duration perception requires efficient processing of visual events because these will define the onset and offset of time intervals. Since dyslexics have difficulties processing dimensions of visual stimuli like luminance contrasts and motion, we do not know the extent to which these visual deficits are responsible for their difficulties in judging time intervals. To address this gap, we asked adults with dyslexia and matched controls to perform an interval comparison task involving five different types of visual stimuli with different levels of challenge regarding luminance contrasts and motion. If the expected disadvantage of dyslexics in visual duration perception increased for stimuli requiring increased luminance or motion processing, this would indicate that visual processing plays a role. Results showed poorer time discrimination in dyslexics, but this disadvantage did not change according to stimulus type. Complementary analyses of oculomotor behavior during the task suggested that the poorer timing performance of dyslexics may relate instead to attention and/or engagement with the task. Our findings strengthen the evidence in favor of visual duration perception deficits in dyslexia, but not the hypothesis that these result from purely visual problems.

The Reflux Symptom Score-12: Cross-cultural Adaptation and Validation for European Portuguese Speakers With Laryngopharyngeal Reflux.

OBJECTIVES: To translate and cross-culturally adapt the 12-item reflux symptom score (RSS-12) to European Portuguese (EP) and determine its clinimetric properties for symptomatic individuals with laryngopharyngeal reflux (LPR). STUDY DESIGN: Multinational cross-sectional cohort study. METHODS: The English RSS-12 was cross-culturally adapted according to the recommendations of the international guidelines. The validation study included the completion of the RSS-12, reflux symptom index, and voice handicap index by symptomatic and asymptomatic subjects with LPR. The RSS-12 was completed a second time by symptomatic subjects. Nine clinimetric properties were analyzed according to the international guidelines for validation of patient-reported outcome measures. RESULTS: The EP RSS-12 is equivalent to the English version (content, depth, and scoring). A total of 155 adults (84 with LPR symptoms) aged 21-78 years participated in the validation study. Statistical analyses revealed high internal consistency (Cronbach alpha >0.90), high test-retest reliability (intraclass correlation coefficient > 0.70, P < 0.001), low measurement error (Standard measure error of 5.21 for RSS and 1.59 for quality of life), good content validity (omission data <1% and item-total correlations > 0.652), good construct validity (61.9% of the total item variance with moderate item loadings), strong concurrent validity with reflux symptom index (rp = 0.772, P < 0.001) and moderate validity with voice handicap index (rp = 0.531, P < 0.001), and significantly known-groups validity (P < 0.001). The EP RSS-12 showed cross-cultural validity with French and Persian versions and high predictive validity with a cut-off value >8 for a sensitivity of 91.7% and a specificity of 91.5%. CONCLUSIONS: The EP RSS-12 retained the features of the English version and is a reliable and valid patient-reported outcome measure for EP individuals with LPR in the study.

Personnel Scheduling during the COVID-19 Pandemic: A Probabilistic Graph-Based Approach.

Effective personnel scheduling is crucial for organizations to match workload demands. However, staff scheduling is sometimes affected by unexpected events, such as the COVID-19 pandemic, that disrupt regular operations. Limiting the number of on-site staff in the workplace together with regular testing is an effective strategy to minimize the spread of infectious diseases like COVID-19 because they spread mostly through close contact with people. Therefore, choosing the best scheduling and testing plan that satisfies the goals of the organization and prevents the virus's spread is essential during disease outbreaks. In this paper, we formulate these challenges in the framework of two Mixed Integer Non-linear Programming (MINLP) models. The first model aims to derive optimal staff occupancy and testing strategies to minimize the risk of infection among employees, while the second is aimed only at optimal staff occupancy under a random testing strategy. To solve the problems expressed in the models, we propose a canonical genetic algorithm as well as two commercial solvers. Using both real and synthetic contact networks of employees, our results show that following the recommended occupancy and testing strategy reduces the risk of infection 25-60% under different scenarios. The minimum risk of infection can be achieved when the employees follow a planned testing strategy. Further, vaccination status and interaction rate of employees are important factors in developing scheduling strategies that minimize the risk of infection.

Thermoregulatory capacity of goat kids from birth to weaning in a dry hot climate.

This study aimed to evaluate the thermoregulatory capacity and performance of Saanen goat kids from birth to weaning in a hot climate. Twelve newborn males and female goat kids with an initial body weight of 4.17 ± 0.81 kg were used. Physiological responses, climatic variables, and biometric traits data were collected. Univariate and multivariate analysis techniques were used. Heart rate (HR) was high up to the 6th week of life, with a reduction from the 7th week on (P < 0.001). Rectal temperature (RT) was lower in the first 2 weeks (P < 0.001), with an increase and stabilization occurring in the 7th and 8th weeks. Coat surface temperature (ST) was more activated from the 5th week onwards (P < 0.001). Body weight (BW) and withers height (WH) were higher in later weeks of the calving phase with a linear effect (P < 0.001). The first principal component demonstrated the relationship of sensible heat dissipation × body area of the goat kids; the second component shows the relationship of meteorological data with RT, having a positive relationship between RT with RH and negative with AT, and the third component points to the association of RR and HR. Of the animals, 81.3% were correctly classified in their group of origin in discriminant canonical analysis, with emphasis on the classification of the kids in the 1st-2nd and 3rd-4th weeks (classification percentage Æ© = 95.8%). It is concluded that (i) newborn kids activate latent mechanisms to maintain their homoeothermic during the first 2 weeks of life, and as they grow, they use sensitive heat loss processes, especially from the 5th week of life onwards and (ii) male and female goats do not show sexual dimorphism effect on body performance and body morphometric measurements up to 60 days of life.

Normative mice retinal thickness: 16-month longitudinal characterization of wild-type mice and changes in a model of Alzheimer's disease.

Animal models of disease are paramount to understand retinal development, the pathophysiology of eye diseases, and to study neurodegeneration using optical coherence tomography (OCT) data. In this study, we present a comprehensive normative database of retinal thickness in C57BL6/129S mice using spectral-domain OCT data. The database covers a longitudinal period of 16 months, from 1 to 16 months of age, and provides valuable insights into retinal development and changes over time. Our findings reveal that total retinal thickness decreases with age, while the thickness of individual retinal layers and layer aggregates changes in different ways. For example, the outer plexiform layer (OPL), photoreceptor inner segments (ILS), and retinal pigment epithelium (RPE) thickened over time, whereas other retinal layers and layer aggregates became thinner. Additionally, we compare the retinal thickness of wild-type (WT) mice with an animal model of Alzheimer's disease (3 × Tg-AD) and show that the transgenic mice exhibit a decrease in total retinal thickness compared to age-matched WT mice, with statistically significant differences observed at all evaluated ages. This normative database of retinal thickness in mice will serve as a reference for future studies on retinal changes in neurodegenerative and eye diseases and will further our understanding of the pathophysiology of these conditions.

Phase-Resolved Optical Coherence Elastography: An Insight into Tissue Displacement Estimation.

Robust methods to compute tissue displacements in optical coherence elastography (OCE) data are paramount, as they play a significant role in the accuracy of tissue elastic properties estimation. In this study, the accuracy of different phase estimators was evaluated on simulated OCE data, where the displacements can be accurately set, and on real data. Displacement (∆d) estimates were computed from (i) the original interferogram data (Δφori) and two phase-invariant mathematical manipulations of the interferogram: (ii) its first-order derivative (Δφd) and (iii) its integral (Δφint). We observed a dependence of the phase difference estimation accuracy on the initial depth location of the scatterer and the magnitude of the tissue displacement. However, by combining the three phase-difference estimates (Δdav), the error in phase difference estimation could be minimized. By using Δdav, the median root-mean-square error associated with displacement prediction in simulated OCE data was reduced by 85% and 70% in data with and without noise, respectively, in relation to the traditional estimate. Furthermore, a modest improvement in the minimum detectable displacement in real OCE data was also observed, particularly in data with low signal-to-noise ratios. The feasibility of using Δdav to estimate agarose phantoms' Young's modulus is illustrated.

Increased Pre-Boundary Lengthening Does Not Enhance Implicit Intonational Phrase Perception in European Portuguese: An EEG Study.

Prosodic phrasing is the segmentation of utterances into prosodic words, phonological phrases (smaller units) and intonational phrases (larger units) based on acoustic cues-pauses, pitch changes and pre-boundary lengthening. The perception of prosodic boundaries is characterized by a positive event-related potential (ERP) component, temporally aligned with phrase boundaries-the Closure Positive Shift (CPS). The role of pre-boundary lengthening in boundary perception is still a matter of debate: while studies on phonological phrase boundaries indicate that all three cues contribute equally, approaches to intonational phrase boundaries highlight the pause as the most powerful cue. Moreover, all studies used explicit boundary recognition tasks, and it is unknown how pre-boundary lengthening works in implicit prosodic processing tasks, characteristic of real-life contexts. In this study, we examined the effects of pre-boundary lengthening (original, short, and long) on the EEG responses to intonational phrase boundaries (CPS effect) in European Portuguese, using an implicit task. Both original and short versions showed equivalent CPS effects, while the long set did not elicit the effect. This suggests that pre-boundary lengthening does not contribute to improved perception of boundaries in intonational phrases (longer units), possibly due to memory and attention-related constraints.

Solvatochromism and solution π-stacking of N-(4-pyridyl)-1,8-naphthalimide and its corresponding triruthenium coordination complex.

Due to the scarcity of spectroscopic studies on metal-coordinated naphthalimides, and aiming to investigate fundamental spectroscopic aspects, we have described here the aggregates of N-(4-pyridyl)-1,8-naphthalimide (NI-py) in solution as well as solvatochromism displayed by it and by the coordination compounds [Ru3O(CH3COO)6(NI-py)3]n, n = +1 or 0. Based both on theoretical calculations and luminescence spectra, we demonstrated that in aqueous media, the NI-py π-stacking is thermodynamically favored, suggesting a preferable conformation where the pyridine and naphthalene moieties of two NI-py molecules are parallel to each other, but are not co-planar within an individual molecule, due to steric hindrance. The NI-py ππ* band displayed positive solvatochromism, to which the major contribution was the Catalan's SP parameter (solvent polarizability). This observation is fully consistent with the extended π-electron cloud of the NI-py naphthalene ring. However, a secondary contribution of the SA (solvent acidity) was also observed, owing to the electron pairs available at the N-heteroatom of the pyridine rings and at the carbonyl-group oxygen atoms. Finally, the multiparametric solvent effect analysis indicated that the electronic coupling between coordinated NI-py and the metallic core is modulated by the charge of the [Ru3O(CH3COO)6] core, being higher for the reduced species [Ru3O(CH3COO)6(NI-py)]0. In addition, in this reduced species, there is no overlap between NI-py ππ* and the [Ru3O(CH3COO)6] charge transfer (CT) transitions, leading to the observation of the dependence of the CT energy with the SdP parameter (solvent dipolarity) since the CT transition implies in a charge-separation state.