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The Poisson-Boltzmann (PB) model governs the electrostatics of solvated biomolecules, i.e., potential, field, energy, and force. These quantities can provide useful information about protein properties, functions, and dynamics. By considering the advantages of current algorithms and computer hardware, we focus on the parallelization of the treecode-accelerated boundary integral (TABI) PB solver using the Message Passing Interface (MPI) on CPUs and the direct-sum boundary integral (DSBI) PB solver using KOKKOS on GPUs. We provide optimization guidance for users when the DSBI solver on GPU or the TABI solver with MPI on CPU should be used depending on the size of the problem. Specifically, when the number of unknowns is smaller than a predetermined threshold, the GPU-accelerated DSBI solver converges rapidly thus has the potential to perform PB model-based molecular dynamics or Monte Carlo simulation. As practical appliations, our parallelized boundary integral PB solvers are used to solve electrostatics on selected proteins that play significant roles in the spread, treatment, and prevention of COVID-19 virus diseases. For each selected protein, the simulation produces the electrostatic solvation energy as a global measurement and electrostatic surface potential for local details.
Subject(s)
COVID-19ABSTRACT
BACKGROUND: Heterologous booster immunisation with orally administered aerosolised Ad5-nCoV vaccine (AAd5) has been shown to be safe and highly immunogenic in adults. Here, we aimed to assess the safety and immunogenicity of heterologous booster immunisation with orally administered AAd5 in children and adolescents aged 6-17 years who had received two doses of inactivated vaccine (BBIBP-CorV or CoronaVac). METHODS: We did a randomised, open-label, parallel-controlled, non-inferiority study to assess the safety and immunogenicity of heterologous booster immunisation with AAd5 (0·1 mL) or intramuscular Ad5-nCoV vaccine (IMAd5; 0·3 mL) and homologous booster immunisation with inactivated vaccine (BBIBP-CorV or CoronaVac; 0·5 mL) in children (aged 6-12 years) and adolescents (aged 13-17 years) who had received two doses of inactivated vaccine at least 3 months earlier in Hunan, China. Children and adolescents who were previously immunised with two-dose BBIBP-CorV or CoronaVac were recruited for eligibility screening at least 3 months after the second dose. A stratified block method was used for randomisation, and participants were stratified by age and randomly assigned (3:1:1) to receive AAd5, IMAd5, or inactivated vaccine. The study staff and participants were not masked to treatment allocation. Laboratory and statistical staff were masked during the study. In this interim analysis, adverse events within 14 days and geometric mean titre (GMT) of serum neutralising antibodies on day 28 after the booster vaccination, based on the per-protocol population, were used as the primary outcomes. The analysis of non-inferiority was based on comparison using a one-sided 97·5% CI with a non-inferiority margin of 0·67. This study was registered at ClinicalTrials.gov, NCT05330871, and is ongoing. FINDINGS: Between April 17 and May 28, 2022, 436 participants were screened and 360 were enrolled: 220 received AAd5, 70 received IMAd5, and 70 received inactivated vaccine. Within 14 days after booster vaccination, vaccine-related adverse reactions were reported: 35 adverse events (in 13 [12%] of 110 children and 22 [20%] of 110 adolescents) in 220 individuals in the AAd5 group, 35 (in 18 [51%] of 35 children and 17 [49%] of 35 adolescents) in 70 individuals in the IMAd5 group, and 13 (in five [14%] of 35 children and eight [23%] of 35 adolescents) in 70 individuals in the inactivated vaccine group. Solicited adverse reactions were also reported: 34 (13 [12%] of 110 children and 21 [10%] of 110 adolescents) in 220 individuals in the AAd5 group, 34 (17 [49%] of 35 children and 17 [49%] of 35 adolescents) in 70 individuals in the IMAd5 group, and 12 (five [14%] of 35 children and seven [20%] of 35 adolescents) in 70 individuals in the inactivated vaccine group. The GMTs of neutralising antibodies against ancestral SARS-CoV-2 Wuhan-Hu-1 (Pango lineage B) in the AAd5 group were significantly higher than the GMTs in the inactivated vaccine group (adjusted GMT ratio 10·2 [95% CI 8·0-13·1]; p<0·0001). INTERPRETATION: Our study shows that a heterologous booster with AAd5 is safe and highly immunogenic against ancestral SARS-CoV-2 Wuhan-Hu-1 in children and adolescents. FUNDING: National Key R&D Program of China.
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ObjectiveTo determine the association between severity of prior history of SARS-CoV-2 infection and postoperative outcomes following major elective inpatient surgery. Summary Background DataSurgical guidelines instituted early in the COVID-19 pandemic recommended delay in surgery up to 8 weeks following an acute SARS-CoV-2 infection. Given that surgical delay can lead to worse medical outcomes, it is unclear if continuation of such stringent policies is necessary and beneficial for all patients, especially those recovering from asymptomatic or mildly symptomatic COVID-19. MethodsUtilizing the National Covid Cohort Collaborative (N3C), we assessed postoperative outcomes for adults with and without a history of COVID-19 who underwent major elective inpatient surgery between January 2020 and February 2023. COVID-19 severity and time from SARS-CoV-2 infection to surgery were each used as independent variables in multivariable logistic regression models. ResultsThis study included 387,030 patients, of which 37,354 (9.7%) had a diagnosis of preoperative COVID-19. History of COVID-19 was found to be an independent risk factor for adverse postoperative outcomes even after a 12-week delay for patients with moderate and severe SARS-CoV-2 infection. Patients with mild COVID-19 did not have an increased risk of adverse postoperative outcomes at any time point. Vaccination decreased the odds of mortality and other complications. ConclusionsImpact of COVID-19 on postoperative outcomes is dependent on severity of illness, with only moderate and severe disease leading to higher risk of adverse outcomes. Existing wait time policies should be updated to include consideration of COVID-19 disease severity and vaccination status.
Subject(s)
COVID-19ABSTRACT
On seanonal timescale, the variation of Earth rotation is mainly regulated by angular momentum exchanges between the solid Earth and the fluidal atmosphere, ocean and hydrosphere. In the 2nd EOP PCC, we developed Dill2019's method for polar motion prediction, using piecewise autoagressive parameters. The maximum prediction errors within 90 days are 36 and 16 mas for polar motion x and y components, respectively. Compared with Bulletin A, the mean absolute error of polar motion y prediction is improved by 20% in all timescale, and with a maximum improvement of 49% on the 5th day. Whereas, for polar motion x, the performance is slightly better (2% - 8%) within 30 days but worse (−7%~ −19%) within 30~90 days. We found that the prediction accuracy is very sensitive to the quality of the angular momentum data. For example, on average, the prediction of polar motion y is around 2 times better than polar motion x. In addition, we found the accuracy of 30-90 days prediction is dramatically decreased in the year 2020. We suspect that such deterioration might be due to the pandemic of coronavirus COVID-19, which suppressed global airline activities by more than 60%, then result in a lose of air-borne meteorological data, which are important for weather forecast.
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Generating written explanations is a popular learning strategy in an online learning environment. Students can explain to themselves (ie, self‐explanations) or a peer‐student (ie, instructional explanations). However, for improving learning from video lectures, it is unclear whether writing self‐explanations is more beneficial than writing instructional explanations, and whether writing both types of explanation is more beneficial than writing only one type. We compared the learning‐related outcomes of students who wrote explanations under one of four conditions: self‐explanation (n = 30), instructional explanation (n = 30), self‐explanation then instructional explanation (n = 30) and instructional explanation then self‐explanation (n = 30). We assessed the participants' external and internal attention, explanation quality, and immediate and delayed learning performance. Students in the conditions that included self‐explanations showed higher internal attention, as well as better immediate and delayed performance than those in the instructional explanations condition. In addition, students in the two combined conditions showed a higher level of organization and elaboration than those in the instructional explanations condition. These results suggest that students should write explanations to themselves while learning from video lectures. Practitioner notesWhat is already known about this topic Generating explanations is a beneficial learning strategy.It is unclear whether explaining to oneself (self‐explanations) is more beneficial than explaining to a peer (instructional explanations).The benefits of writing instructional explanations on learning performance were not consistently found across diverse areas.What this paper adds Self‐explanations, both in oral and written form, were more effective for learning performance than instructional explanations.Students in the conditions that included both self‐explanations and instructional explanations demonstrated a higher level of organization and elaboration than those in the instructional explanation condition.When compared to the self‐explanations condition, additional instructional explanations had no effect on learning performance or internal attention.Implications for practice and/or policy Self‐explanations was an excellent approach for learning from video lectures.Students should write explanations to themselves while learning from video lectures. [ FROM AUTHOR] Copyright of British Journal of Educational Technology is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full . (Copyright applies to all s.)
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A novel coronavirus emerged in Wuhan in late 2019 and has caused the COVID-19 pandemic announced by the World Health Organization on March 12, 2020. This study was originally conducted in January 2020 to estimate the potential risk and geographic range of COVID-19 spread within and beyond China at the early stage of the pandemic. A series of connectivity and risk analyses based on domestic and international travel networks were conducted using historical aggregated mobile phone data and air passenger itinerary data. We found that the cordon sanitaire of Wuhan was likely to have occurred during the latter stages of peak population numbers leaving the city, with travellers departing into neighbouring cities and other megacities in China. We estimated that 59,912 air passengers, of which 834 (95% uncertainty interval: 478–1349) had COVID-19 infection, travelled from Wuhan to 382 cities outside of mainland China during the two weeks prior to the city’s lockdown. Most of these destinations were located in Asia, but major hubs in Europe, the US and Australia were also prominent, with a strong correlation seen between the predicted risks of importation and the number of imported cases found. Given the limited understanding of emerging infectious diseases in the very early stages of outbreaks, our approaches and findings in assessing travel patterns and risk of transmission can help guide public health preparedness and intervention design for new COVID-19 waves caused by variants of concern and future pandemics to effectively limit transmission beyond its initial extent.
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Background: The aim of this study was to evaluate psychological distress among orthodontic patients and its relationship to orthodontic emergencies related to different appliances during the COVID-19 lockdown. Methods: This was a cross-sectional online questionnaire survey involving orthodontic patients in Shanghai, China. Data collection occurred from May 15 to June 1 2022. The demographic information and orthodontic emergencies were collected, while the peritraumatic distress symptoms were assessed by the COVID-19 Peritraumatic Distress Index (CPDI). Data analysis was performed by SPSS software. Results: A total of 480 patients were examined, including 331 fixed appliance patients, 131 clear aligner patients and 18 removable appliance patients. Patients who encountered emergencies and suffered from temporomandibular joint (TMJ) pain reported significantly higher CPDI scores in each group (p<0.01). Multivariate linear analysis showed that patients aged above 18 years old (p<0.01), emergencies in fixed appliance patients (p<0.05), emergencies among clear aligner patients (p<0.01), and higher TMJ-pain scores were significantly associated with increasing CPDI scores. Conclusions: Orthodontic patients encountered emergencies, especially those who suffered from TMJ pain and were at higher risk of psychological distress related to COVID-19; thus, targeted intervention and self-management guidelines should be designed to relieve anxiety and strengthen coping capacity for orthodontic patients during the pandemic.
Subject(s)
COVID-19 , Fetal Distress , Temporomandibular Joint Dysfunction Syndrome , Anxiety DisordersABSTRACT
Background Pre-hospitalisation, hospitalisation and post-hospitalisation factors may significantly affect depression, anxiety and post-traumatic growth (PTG) among COVID-19 survivors. Objective Our study investigated depression, anxiety and PTG and their correlates among COVID-19 survivors. Method A cross-sectional telephone survey recruited 199 COVID-19 patients (Mean age = 42.7;53.3% females) at six-month follow-up after hospital discharge in five Chinese cities (i.e. Wuhan, Shenzhen, Zhuhai, Dongguan and Nanning). Their demographic information, clinical records and experiences during (e.g. severity of covid-19 symptoms, treatment and exposure to other patients’ suffering) and after hospitalisation (e.g. perceived impact of covid-19, somatic symptoms after hospitalisation), and psychosocial factors (e.g. perceived discrimination, self-stigma, affiliate stigma, resilience and social support) were investigated. Depressive and anxiety symptoms were measured by the Patient Health Questionnaire (PHQ-9) and the Generalised anxiety disorder (GAD-7) scale, respectively. PTG was examined by the Post-traumatic Growth Inventory (PTGI) instrument. Results The proportion of depressive symptoms <5, ≥5 and <10, ≥10 were 76.9%, 12.0% and 11.1%, respectively. The proportion of anxiety symptoms <5, ≥5 and <10, ≥10 were 77.4%, 15.1% and 7.5%, respectively. Multivariate logistic regression showed that receiving mental health care services during hospitalisation, somatic symptoms after discharge, perceived affiliate stigma and perceived impact of being infected with COVID-19 were significantly and positively associated with probable depression. Significant correlates of probable anxiety also included permanent residents of the city, somatic symptoms after discharge, perceived impact of being infected with COVID-19 and self-stigma. Social support, self-stigma and receiving mental health care services during hospitalisation were positively associated with PTG. Conclusions: The results suggest that post-hospitalisation and psychosocial factors had relatively stronger associations with depression, anxiety and PTG than pre-hospitalisation and hospitalisation factors. Promoting social support and social inclusion may be useful strategies to improve the mental health of COVID-19 survivors. HIGHLIGHTS • Post-hospitalisation and psychosocial factors had relatively stronger associations with depression, anxiety and PTG than pre-hospitalisation and hospitalisation factors, promoting social support and social inclusion may be useful strategies to improve mental health of COVID-19 survivors.
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Based on the meteorological forecast data from the National Meteorological Bureau, this study developed an AERMOD-based pollution forecasting model for iron and steel plants, simulated air quality impacts of a typical iron and steel plant located in Hebei Province during the controlled period（from February to March in 2020） and the uncontrolled period（from April to October in 2020） of the COVID-19 epidemic, and validated the model with real monitoring air quality data. In case of adverse wind direction, the results showed that the average contribution of SO2, NOx and PM10 from the plant to three state-controlled monitoring stations were 20.19～33.81%, 17.49～23.46% and 2.02～2.69% respectively during the controlled period, and 13.43～21.01%, 11.09～20.92% and 1.20～2.22% during the uncontrolled period. The correlation coefficients between the forecast values of SO2, NOx and PM10 emission of the plant and the real monitoring values of the three state-controlled monitoring stations were higher in the controlled period（the highest values are 0.43,0.48 and 0.29, respectively, at individual monitoring station） compared with the uncontrolled period（the highest values are 0.42,0.39 and 0.07, respectively） due to the less interference from other anthropogenic emission sources during the controlled period.
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Biointerfaces The cover image shows the adsorption of SARS-CoV-2 at metal-based fomite surfaces. The spike protein subunit S1 is the outermost point of the viral envelope and thus mediates the initial contact between the virus and the fomite surface. High-speed atomic force microscopy movies reveal that S1 protein adsorption proceeds faster at TiO2 surfaces than at Al2O3 surfaces. More details can be found in article number 2000024 by Adrian Keller and co-workers.
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Background：Hypofractionated whole breast irradiation (HF-WBI) can achieve the same treatment effect as conventional fractionated whole breast irradiation (CF-WBI) within limits , without increasing adverse reactions. Because of its characteristics of reducing the number of radiation therapy (RT) during the COVID-19 Pandemic, it is recommended as the first choice of treatment for patients with early breast cancer after breast conserving surgery. However, the choice of RT is still under exploration. Here, we conducted a network meta-analysis to evaluate the problem comprehensively using data from new randomized trials. Methods: We analyzed data from eligible studies for published events for ipsilateral breast tumor recurrence (IBTR), distant metastasis, total deaths, and non-breast cancer-related deaths. Statistical analysis was performed using a fixed-effects or random-effects model in cases of low and high heterogeneity, respectively. Network meta-analysis was conducted using a node-splitting model for two-category data among three RTs based on a Bayesian approach.Results: 16 studies with 23,418 patients were included. For IBTR, pairwise comparison showed that CF-WBI was significantly better than PBI, and HF-WBI was similar to CF-WBI. HF-WBI was superior to PBI, but the difference was not significant. However, indirect comparison of three RTs by network meta-analysis showed that HF-WBI was significantly better than PBI (OR=0.67, CI95%: 0.46–0.95). Paired and network meta-analyses found no significant differences in other endpoints among three radiotherapies. Conclusion: This meta-analysis demonstrated PBI was associated with increased IBTR compared with HF-WBI or CF-WBI in early-stage breast cancer patients.
Subject(s)
COVID-19 , Breast NeoplasmsABSTRACT
Background: Avian infectious bronchitis virus (IBV) is a gamma coronavirus that severely affects the poultry industry worldwide. Long non-coding RNAs (lncRNAs), a subset of non-coding RNAs with a length of more than 200 nucleotides, have been recently recognized as pivotal factors in the pathogenesis of viral infections. However, little is known about the function of lncRNAs in host cultured cells in response to IBV infection. Results: : We used next-generation high throughput sequencing to reveal the expression profiles of mRNAs and lncRNAs in IBV-infected HD11 cells. Compared with the uninfected cells, we identified 153 differentially expressed (DE) mRNAs (106 up-regulated mRNAs, 47 down-regulated mRNAs) and 181 DE lncRNAs (59 up-regulated lncRNAs, 122 down-regulated lncRNAs) in IBV-infected HD11 cells. Moreover, gene ontology (GO) and pathway enrichment analyses indicated that DE mRNAs and lncRNAs were mainly involved in cellular innate immunity, amino acid metabolism, and nucleic acid metabolism. In addition, 2,640 novel chicken lncRNAs were identified, and a competing endogenous RNA (ceRNAs) network centered on gga-miR-30d and miR-146a-5p was established. Conclusions: : We identified expression profiles of mRNAs and lncRNAs during IBV infection that provided new insights into the pathogenesis of IBV.
Subject(s)
BronchitisABSTRACT
The ongoing coronavirus disease 2019 (COVID-19) pandemic caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) represents a serious threat to the health of millions of people. Respiratory viruses such as SARS-CoV-2 can be transmitted via airborne and fomite routes. The latter requires virion adsorption at abiotic surfaces and most likely involves the SARS-CoV-2 spike protein subunit 1 (S1), which is the outermost point of its envelope. Understanding S1 spike protein interaction with fomite surfaces thus represents an important milestone on the road to fighting the spread of COVID-19. Herein, high-speed atomic force microscopy (HS-AFM) is used to monitor the adsorption of the SARS-CoV-2 spike protein S1 at Al2O3(0001) and TiO2(100) surfaces in situ. While the single-crystalline oxide substrates are chosen to model the native surface oxides of Al- and Ti-based fomites, adsorption is studied in electrolytes that mimic the pH and major ionic components of mucosal secretions and saliva, respectively. Quantitative analysis of the obtained HS-AFM images indicates that S1 spike protein adsorption at these surfaces is mostly governed by electrostatic interactions with possible contributions from van der Waals interactions. It thus proceeds more rapidly at the TiO2(100) than at the Al2O3(0001) surface.
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Background In China, the outbreak of novel coronavirus disease 2019 (COVID-19) was a severe public health emergency that postponed the spring-summer semester of schools and forced students to implement home quarantine to prevent community transmission. Surgical interns’ regular learning was seriously affected during the pandemic, and was almost impossible to carry out.Methods This study aims to explore a novel online medical teaching method during the COVID-19 pandemic. A 12-week case-based learning through small private online course was conducted for 108 medical students who were supposed to practice surgery at the Second Xiangya Hospital of Central South University but were delayed because of the pandemic. At the end of the course, final test and questionnaire survey were completed. The scores of final tests were compared with those before pandemic of the same students when receiving traditional surgical internship teaching.Results The case-based learning through small private online course during the pandemic significantly increased the scores of students in the surgical basic knowledge(90.00 ± 4.76 vs. 85.81 ± 7.45, P = 0.003) and clinical analysis ability(89.55 ± 3.41 vs. 84.57 ± 5.07, P = 0.000), but decreased the scores of clinical operative skills(79.19 ± 5.52 vs. 85.28 ± 9.45, P = 0.002 ). According to the survey, 91.6% of the students thought it was necessary to carry out the online internship teaching and 88.9% of students were satisfied with this teaching method.Conclusions It was concluded that case-based learning through small private online course effectively minimized the impact of COVID-19 for surgical intern teaching by providing high-quality education.
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COVID-19ABSTRACT
Acute respiratory distress syndrome (ARDS) may be the main cause of death in patients with coronavirus disease 2019 (COVID-19). Herein, we retrospect clinical features, outcomes and ARDS characteristics of 75 intensive care unit (ICU) patients with COVID-19 in Chongqing, China. We found a 5.3% case fatality rate of the ICU patients in Chongqing. 93% patients developed ARDS during the intensive care, and more than half were moderate. However, most of the patients (55%) supported with high flow nasal cannula (HFNC) oxygen therapy, but not mechanical ventilation. Nearly one third of patients with ARDS got an early improvement (eiARDS), and the rate is much higher than the other causes of ARDS in a previous study. Patients with eiARDS had a higher survival rate and lower length of ICU stay. The age (< 55 years) is an independent predictor for the eiARDS, and stratification of COVID-19 patients by age is recommended.
Subject(s)
COVID-19ABSTRACT
The worst-hit area of coronavirus disease 2019 (COVID-19) in China was Wuhan City and its affiliated Hubei Province, where the outbreak has been well controlled. The case fatality rate (CFR) is the most direct indicator to evaluate the hazards of an infectious disease. However, most reported CFR on COVID-19 represent a large deviation from reality. We aimed to establish a more accurate way to estimate the CFR of COVID-19 in Wuhan and Hubei and compare it to the reality. The daily case notification data of COVID-19 from December 8, 2019, to May 1, 2020, in Wuhan and Hubei were collected from the bulletin of the Chinese authorities. The instant CFR of COVID-19 was calculated from the numbers of deaths and the number of cured cases, the two numbers occurred on the same estimated diagnosis dates. The instant CFR of COVID-19 was 1.3%-9.4% in Wuhan and 1.2%-7.4% in Hubei from January 1 to May 1, 2020. It has stabilized at 7.69% in Wuhan and 6.62% in Hubei since early April. The cure rate was between 90.1% and 98.8% and finally stabilized at 92.3% in Wuhan and stabilized at 93.5% in Hubei. The mortality rates were 34.5/100 000 in Wuhan and 7.61/100 000 in Hubei. In conclusion, this approach reveals a way to accurately calculate the CFR, which may provide a basis for the prevention and control of infectious diseases.