Development of multiscale ultra-coarse-grained models for the SARS-CoV-2 virion from cryo-electron microscopy data.

The global spread of the new coronavirus COVID-19 has seriously affected human health and has caused a large number of deaths. Using molecular dynamics (MD) simulations to study the microscopic dynamic behavior of the virion provides an important means to study the pathogenic mechanism. In this work, we develop an ultra-coarse-grained (UCG) model of the SARS-CoV-2 virion from the authentic cryo-electron microscopy data, which enables MD simulation of the entire virion within microseconds. In addition, a hybrid all-atom and UCG (AA/UCG) virion model involving an all-atom spike protein is developed for the investigation of the spike protein interactions. A comparison of the conformational changes for the spike proteins as simulated in the hybrid model and that isolated in solution as in the free form reveals that the former is completely different from the latter. The simulation results demonstrate the necessity for the development of multiscale models to study the functions of proteins in the biomolecular complexes.

Effects of Stressors of COVID-19 on Chinese College Students' Problematic Social Media Use: A Mediated Moderation Model.

Purpose: Isolation policies are long-term and strictly enforced in China during the COVID-19 outbreak. Social media might be widely used for communication, work, understanding the development of the epidemic, etc. However, these behaviors might lead to problematic social media use. The present study investigated the effect of stressors of COVID-19 on problematic social media use, as well as the internal mechanisms involved. Methods: One thousand three hundred seventy-three Chinese college students (M age = 19.53, SD age = 1.09) were recruited randomly from four grades who completed Coronavirus Stress Scale, Fear of Missing Out Scale, Problematic Mobile Social Media Usage Assessment Questionnaire, and Regulatory Emotional Self-Efficacy Scale. Results: Stressors of COVID-19 were positively related to problematic social media use. The link between stressors of COVID-19 and problematic social media use was mediated by fear of missing out. Additionally, the association between fear of missing out and problematic social media use, as well as the association between stressors of COVID-19 and problematic social media use were moderated by regulatory emotional self-efficacy. Conclusion: The current findings reveal the mechanism that may be used to reduce the likelihood of problematic social media use in the context of the COVID-19 outbreak. To prevent and intervene in problematic social media use during the COVID-19 pandemic, this study stressed the importance of decreasing the fear of missing out and enhancing regulatory emotional self-efficacy.

COVID-19 vaccination boosts the potency and breadth of the immune response against SARS-CoV-2 among recovered patients in Wuhan.

The immunity of patients who recover from coronavirus disease 2019 (COVID-19) could be long lasting but persist at a lower level. Thus, recovered patients still need to be vaccinated to prevent reinfection by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) or its mutated variants. Here, we report that the inactivated COVID-19 vaccine can stimulate immunity in recovered patients to maintain high levels of anti-receptor-binding domain (RBD) and anti-nucleocapsid protein (NP) antibody titers within 9 months, and high neutralizing activity against the prototype, Delta, and Omicron strains was observed. Nevertheless, the antibody response decreased over time, and the Omicron variant exhibited more pronounced resistance to neutralization than the prototype and Delta strains. Moreover, the intensity of the SARS-CoV-2-specific CD4+ T cell response was also increased in recovered patients who received COVID-19 vaccines. Overall, the repeated antigen exposure provided by inactivated COVID-19 vaccination greatly boosted both the potency and breadth of the humoral and cellular immune responses against SARS-CoV-2, effectively protecting recovered individuals from reinfection by circulating SARS-CoV-2 and its variants.

Self-Compassion and Authentic-Durable Happiness During COVID-19 Pandemic: The Mediating Role of Meaning of Life and the Moderating Role of COVID-19 Burnout.

Backgrounds and Aims: Self-compassion is important for authentic-durable happiness, particularly during the COVID-19 pandemic. To better understand the potential complexity of effects, this study sought to explore (a) the mediating role of meaning of life in the association between self-compassion and authentic-durable happiness and (b) the moderating role of COVID-19 burnout in the relationship between self-compassion and meaning of life. Methods: We conducted a cross-sectional online survey study in China from February 1 to 14, 2021. Online survey questionnaire technique and convenience sampling method were used for data collection. Participants anonymously completed the measures of self-compassion scale short form, COVID-19 burnout scale, meaning in life questionnaire, and subjective authentic-durable happiness scale. The data were examined utilizing Pearson's r correlations and moderated mediation analysis. Results: This study included 1165 Chinese college students (Mage = 19.68 years, SD = 1.37). Self-compassion (M = 3.39, SD = 0.49) was significantly positively associated with authentic-durable happiness (M = 3.82, SD = 0.66) (r = 0.45, p < 0.001), and mediation analyses indicated that meaning of life (M = 4.65, SD = 0.86) partially mediated this association (indirect effect = 0.103, SE = 0.016, 95% CI = [0.073, 0.135]). Moderated mediation analysis further revealed that COVID-19 burnout (M = 1.87, SD = 0.72) buffered the relation between self-compassion and meaning of life (ß = -0.05, p < 0.033). Discussion and Conclusion: Findings of this study shed light on a correlation between self-compassion and authentic-durable happiness. In addition, this study underlines the importance of intervening in COVID-19 burnout among college students and enhancing the meaning of life in order to promote and safeguard authentic-durable happiness in the setting of COVID-19.

Effects of Stressors of COVID-19 on Chinese College Students' Problematic Social Media Use: A Mediated Moderation Model

Purpose Isolation policies are long-term and strictly enforced in China during the COVID-19 outbreak. Social media might be widely used for communication, work, understanding the development of the epidemic, etc. However, these behaviors might lead to problematic social media use. The present study investigated the effect of stressors of COVID-19 on problematic social media use, as well as the internal mechanisms involved. Methods One thousand three hundred seventy-three Chinese college students (Mage = 19.53, SDage = 1.09) were recruited randomly from four grades who completed Coronavirus Stress Scale, Fear of Missing Out Scale, Problematic Mobile Social Media Usage Assessment Questionnaire, and Regulatory Emotional Self-Efficacy Scale. Results Stressors of COVID-19 were positively related to problematic social media use. The link between stressors of COVID-19 and problematic social media use was mediated by fear of missing out. Additionally, the association between fear of missing out and problematic social media use, as well as the association between stressors of COVID-19 and problematic social media use were moderated by regulatory emotional self-efficacy. Conclusion The current findings reveal the mechanism that may be used to reduce the likelihood of problematic social media use in the context of the COVID-19 outbreak. To prevent and intervene in problematic social media use during the COVID-19 pandemic, this study stressed the importance of decreasing the fear of missing out and enhancing regulatory emotional self-efficacy.

Access to Epidemic Information and Life Satisfaction under the Period of COVID-19: the Mediating Role of Perceived Stress and the Moderating Role of Friendship Quality.

The present study mainly focused on college students amidst the COVID-19 outbreak and aimed to develop and examine a moderated mediation model between access to epidemic information and life satisfaction. Friendship quality as a moderator, and perceived stress as a mediator. A sample of 1032 college students participated in this study and completed questionnaires regarding access to epidemic information, perceived stress, friendship quality, and life satisfaction. Findings indicated that 1) access to epidemic information was strongly related to life satisfaction; 2) perceived stress acts as a mediator in the positive relationship between access to epidemic information and life satisfaction; 3) friendship quality moderated the relationship between access to epidemic information and perceived stress as well as perceived stress and life satisfaction, and such that there was a stronger association between access to epidemic information and perceived stress for college students with high friendship quality. But the relationship between perceived stress and life satisfaction became weaker for college students with high friendship quality. The results illuminate the mechanism to theoretical and practical implications for improving college students' life satisfaction during the pandemic.

Discovery and repurposing of artemisinin.

Malaria is an ancient infectious disease that threatens millions of lives globally even today. The discovery of artemisinin, inspired by traditional Chinese medicine (TCM), has brought in a paradigm shift and been recognized as the "best hope for the treatment of malaria" by World Health Organization. With its high potency and low toxicity, the wide use of artemisinin effectively treats the otherwise drug-resistant parasites and helps many countries, including China, to eventually eradicate malaria. Here, we will first review the initial discovery of artemisinin, an extraordinary journey that was in stark contrast with many drugs in western medicine. We will then discuss how artemisinin and its derivatives could be repurposed to treat cancer, inflammation, immunoregulation-related diseases, and COVID-19. Finally, we will discuss the implications of the "artemisinin story" and how that can better guide the development of TCM today. We believe that artemisinin is just a starting point and TCM will play an even bigger role in healthcare in the 21st century.

Coronary artery calcification and risk of mortality and adverse outcomes in patients with COVID-19: a Chinese multicenter retrospective cohort study.

Background: Coronary artery calcification (CAC) is an independent risk factor of major adverse cardiovascular events; however, the impact of CAC on in-hospital death and adverse clinical outcomes in patients with coronavirus disease 2019 (COVID-19) remains unclear. Objective: To explore the association between CAC and in-hospital mortality and adverse events in patients with COVID-19. Methods: This multicenter retrospective cohort study enrolled 2067 laboratory-confirmed COVID-19 patients with definitive clinical outcomes (death or discharge) admitted from 22 tertiary hospitals in China between January 3, 2020 and April 2, 2020. Demographic, clinical, laboratory results, chest CT findings, and CAC on admission were collected. The primary outcome was in-hospital death and the secondary outcome was composed of in-hospital death, admission to intensive care unit (ICU), and requiring mechanical ventilation. Multivariable Cox regression analysis and Kaplan-Meier plots were used to explore the association between CAC and in-hospital death and adverse clinical outcomes. Results: The mean age was 50 years (SD,16) and 1097 (53.1%) were male. A total of 177 patients showed high CAC level, and compared with patients with low CAC, these patients were older (mean age: 49 vs. 69 years, P < 0.001) and more likely to be male (52.0% vs. 65.0%, P = 0.001). Comorbidities, including cardiovascular disease (CVD) ([33.3%, 59/177] vs. [4.7%, 89/1890], P < 0.001), presented more often among patients with high CAC, compared with patients with low CAC. As for laboratory results, patients with high CAC had higher rates of increased D-dimer, LDH, as well as CK-MB (all P < 0.05). The mean CT severity score in high CAC group was also higher than low CAC group (12.6 vs. 11.1, P = 0.005). In multivariable Cox regression model, patients with high CAC were at a higher risk of in-hospital death (hazard ratio [HR], 1.731; 95% CI 1.010-2.971, P = 0.046) and adverse clinical outcomes (HR, 1.611; 95% CL 1.087-2.387, P = 0.018). Conclusion: High CAC is a risk factor associated with in-hospital death and adverse clinical outcomes in patients with confirmed COVID-19, which highlights the importance of calcium load testing for hospitalized COVID-19 patients and calls for attention to patients with high CAC. Supplementary Information: The online version contains supplementary material available at 10.1007/s42058-021-00072-4.

COVID-19 patients with hypertension are at potential risk of worsened organ injury.

In less than 6 months, COVID-19 spread rapidly around the world and became a global health concern. Hypertension is the most common chronic disease in COVID-19 patients, but its impact on these patients has not been well described. In this retrospective study, 82 patients diagnosed with COVID-19 were enrolled, and epidemiological, demographic, clinical, laboratory, radiological and therapy-related data were analyzed and compared between COVID-19 patients with (29 cases) or without (53 cases) hypertension. The median age of the included patients was 60.5 years, and the cohort included 49 women (59.8%) and 33 (40.2%) men. Hypertension (31 [28.2%]) was the most common chronic illness, followed by diabetes (16 [19.5%]) and cardiovascular disease (15 [18.3%]). The most common symptoms were fatigue (55 [67.1%]), dry cough (46 [56.1%]) and fever ≥ 37.3 °C (46 [56.1%]). The median time from illness onset to positive RT-PCR test was 13.0 days (range 3-25 days). There were 6 deaths (20.7%) in the hypertension group and 5 deaths (9.4%) in the nonhypertension group, and more hypertensive patients with COVID-19 (8 [27.6%]) than nonhypertensive patients (2 [3.8%]) (P = 0.002) had at least one comorbid disease. Compared with nonhypertensive patients, hypertensive patients exhibited higher neutrophil counts, serum amyloid A, C-reactive protein, and NT-proBNP and lower lymphocyte counts and eGFR. Dynamic observations indicated more severe disease and poorer outcomes after hospital admission in the hypertension group. COVID-19 patients with hypertension have increased risks of severe inflammatory reactions, serious internal organ injury, and disease progression and deterioration.

Clinical characteristics of rehospitalized patients with COVID-19 in China.

This study aims to observe the clinical characteristics of recovered patients from Coronavirus Disease 2019 (COVID-19) with positive in reverse transcription-polymerase chain reaction (RT-PCR) or serum antibody. The profile, clinical symptoms, laboratory outcomes, and radiologic assessments were extracted on 11 patients, who tested positive for COVID-19 with RT-PCR or serum antibody after discharged and was admitted to Hubei No. 3 People's Hospital of Jianghan University for a second treatment in March 2020. The average interval time between the first discharge and the second admission measured 16.00 ± 7.14 days, ranging from 6 to 27 days. In the second hospitalization, one patient was positive for RT-PCR and serum antibody immunoglobulin M (IgM)-immunoglobulin G (IgG), five patients were positive for both IgM and IgG but negative for RT-PCR. Three patients were positive for both RT-PCR and IgG but negative for IgM. The main symptoms were cough (54.55%), fever (27.27%), and feeble (27.27%) in the second hospitalization. Compared with the first hospitalization, there were significant decreases in gastrointestinal symptoms (5 vs 0, P = .035), elevated levels of both white blood cell count (P = .036) and lymphocyte count (P = .002), remarkedly decreases in C-reactive protein and serum amyloid A (P < .05) in the second hospitalization. Additionally, six patients' chest computed tomography (CT) exhibited notable improvements in acute exudative lesions. There could be positive results for RT-PCR analysis or serum IgM-IgG in discharged patients, even with mild clinical symptoms, however, their laboratory outcomes and chest CT images would not indicate the on-going development in those patients.

Risk factors for adverse clinical outcomes with COVID-19 in China: a multicenter, retrospective, observational study.

Background: The risk factors for adverse events of Coronavirus Disease-19 (COVID-19) have not been well described. We aimed to explore the predictive value of clinical, laboratory and CT imaging characteristics on admission for short-term outcomes of COVID-19 patients. Methods: This multicenter, retrospective, observation study enrolled 703 laboratory-confirmed COVID-19 patients admitted to 16 tertiary hospitals from 8 provinces in China between January 10, 2020 and March 13, 2020. Demographic, clinical, laboratory data, CT imaging findings on admission and clinical outcomes were collected and compared. The primary endpoint was in-hospital death, the secondary endpoints were composite clinical adverse outcomes including in-hospital death, admission to intensive care unit (ICU) and requiring invasive mechanical ventilation support (IMV). Multivariable Cox regression, Kaplan-Meier plots and log-rank test were used to explore risk factors related to in-hospital death and in-hospital adverse outcomes. Results: Of 703 patients, 55 (8%) developed adverse outcomes (including 33 deceased), 648 (92%) discharged without any adverse outcome. Multivariable regression analysis showed risk factors associated with in-hospital death included ≥ 2 comorbidities (hazard ratio [HR], 6.734; 95% CI; 3.239-14.003, p < 0.001), leukocytosis (HR, 9.639; 95% CI, 4.572-20.321, p < 0.001), lymphopenia (HR, 4.579; 95% CI, 1.334-15.715, p = 0.016) and CT severity score > 14 (HR, 2.915; 95% CI, 1.376-6.177, p = 0.005) on admission, while older age (HR, 2.231; 95% CI, 1.124-4.427, p = 0.022), ≥ 2 comorbidities (HR, 4.778; 95% CI; 2.451-9.315, p < 0.001), leukocytosis (HR, 6.349; 95% CI; 3.330-12.108, p < 0.001), lymphopenia (HR, 3.014; 95% CI; 1.356-6.697, p = 0.007) and CT severity score > 14 (HR, 1.946; 95% CI; 1.095-3.459, p = 0.023) were associated with increased odds of composite adverse outcomes. Conclusion: The risk factors of older age, multiple comorbidities, leukocytosis, lymphopenia and higher CT severity score could help clinicians identify patients with potential adverse events.