MHC-Fine: Fine-tuned AlphaFold for precise MHC-peptide complex prediction.

The precise prediction of major histocompatibility complex (MHC)-peptide complex structures is pivotal for understanding cellular immune responses and advancing vaccine design. In this study, we enhanced AlphaFold's capabilities by fine-tuning it with a specialized dataset consisting of exclusively high-resolution class I MHC-peptide crystal structures. This tailored approach aimed to address the generalist nature of AlphaFold's original training, which, while broad-ranging, lacked the granularity necessary for the high-precision demands of class I MHC-peptide interaction prediction. A comparative analysis was conducted against the homology-modeling-based method Pandora as well as the AlphaFold multimer model. Our results demonstrate that our fine-tuned model outperforms others in terms of root-mean-square deviation (median value for Cα atoms for peptides is 0.66 Å) and also provides enhanced predicted local distance difference test scores, offering a more reliable assessment of the predicted structures. These advances have substantial implications for computational immunology, potentially accelerating the development of novel therapeutics and vaccines by providing a more precise computational lens through which to view MHC-peptide interactions.

Promotion of catalytic ozonation of aniline with Mn-Ce-Ox/γ-Al2O3.

In this study, Mn-Ce-Ox/γ-Al2O3 supported catalysts were adopted to promote the removal efficiency of aniline in simulated wastewater with ozone. Mn-Ce-Ox/γ-Al2O3 catalysts were prepared by the impregnation-calcination method. Its phase structure, specific surface area, loading amount and distribution of active units were analyzed by XRD, BET, ICP-AES and TEM/SEM respectively. The characterization results demonstrated that the catalysts had a good dispersion of Mn-Ce-Ox active sites and an abundant porous structure from the γ-Al2O3 support. The catalytic ozonation results showed that with Mn3-Ce1-Ox/γ-Al2O3(1.0), the aniline removal efficiency was highly improved, 15.0% higher than that of ozonation without a catalyst. Furthermore, from the variation in loading amounts of Mn and Ce, it can be seen that the molar ratio of Mn and Ce within the Mn-Ce-Ox plays a key role in accelerating the ozonation of aniline in simulated wastewater with ozone, while Mn:Ce = 1.9:1 showed the best performance. More importantly, the catalysts showed high recycling performance and could be reused at least 12 times without obvious loss of activity.

Experiences of healthcare workers following occupational exposure to COVID-19 at the early stages of the pandemic: A phenomenological qualitative study.

AIM: To explore the experiences of healthcare workers (HCWs) following occupational exposure to coronavirus disease 2019 (COVID-19) during the early stage of the pandemic. DESIGN: A Husserl descriptive phenomenological study design was employed. METHODS: Convenient and snowball sampling was used. In-depth semi-structured telephone interviews were conducted from February to March 2020 with the frontline HCWs who were exposed to COVID-19 during work. Data analysis was conducted following the 7-step analysis method developed by Colaizzi. RESULTS: Fifteen HCWs participated in the study. Four themes were identified, including (1) traumatic experiences since the occupational exposure; (2) getting through the hard time; (3) struggling to return to work; (4) reflections on occupational exposures. CONCLUSION: The HCWs had traumatic and painful experiences after the occupational exposure. But they returned to work with strong resilience, professional obligation and social support. Training and supervision, and adequate supply of personal protective equipment are suggested to prevent professional exposure. Social and organizational support should be provided for the exposed HCWs.

Effect of new nurse-led healthcare collaborative model on self-efficacy, compliance and quality of life in patients with chronic diseases.

OBJECTIVE: To explore the impact of routine management compared to case management on social support and self-efficacy of patients with chronic diseases and assess the new nurse-led healthcare collaborative model. METHODS: This is a prospective study which was approved by the Biomedical Ethics Committee of Anhui Medical University. A total of 100 patients with chronic diseases who received treatment and care in Hefei First People's Hospital from January 2020 to December 2021 were selected as the study subjects and divided into a control group and an observation group according to the numerical table method, with 50 cases in each group. In the control group, conventional management was implemented, while the observation received a nurse-led healthcare collaborative care, which included community doctors providing treatment services and family doctors contracting to manage care. The patients in the two groups were compared in terms of self-efficacy, self-management ability, social support, and their attendance. RESULTS: Before the intervention, there was no statistically significant difference in self-efficacy, compliance and quality of life scores between the two groups (P>0.05). After the intervention, self-efficacy, compliance and quality of life scores were significantly higher in the observation group than those in the control group, with statistically significant differences (P<0.05). A statistical assessment of the transfer of patients from the community to the hospital was also conducted for both groups, and it was found that the proportion of patients transferred from the community to the hospital was significantly higher in the observation group compared to that in the control group after surgery, with statistically significant differences in hospital costs, hospital days and readmission rates between the two groups (P<0.05). The proportion of patients transferred from the hospital to nursing home increased by 72.2% in the observation group compared to only 35.5% in the control group, and the discharge rate (home care) was significantly higher in the observation group (P<0.05). CONCLUSION: This study provides some references for the effective management of patients with chronic diseases. By comparing the data from the conventional and case care management models, it can be found that the use of a nurse-led healthcare collaborative model meets the acute medical and nursing service needs of older people, improves timely access to medical and nursing resources, and effectively improves self-efficacy, compliance and quality of life in patients with chronic diseases.

MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex Prediction.

The precise prediction of Major Histocompatibility Complex (MHC)-peptide complex structures is pivotal for understanding cellular immune responses and advancing vaccine design. In this study, we enhanced AlphaFold's capabilities by fine-tuning it with a specialized dataset comprised by exclusively high-resolution MHC-peptide crystal structures. This tailored approach aimed to address the generalist nature of AlphaFold's original training, which, while broad-ranging, lacked the granularity necessary for the high-precision demands of MHC-peptide interaction prediction. A comparative analysis was conducted against the homology-modeling-based method Pandora [13], as well as the AlphaFold multimer model [8]. Our results demonstrate that our fine-tuned model outperforms both in terms of RMSD (median value is 0.65 Å) but also provides enhanced predicted lDDT scores, offering a more reliable assessment of the predicted structures. These advances have substantial implications for computational immunology, potentially accelerating the development of novel therapeutics and vaccines by providing a more precise computational lens through which to view MHC-peptide interactions.

Study on jet aeration oxidation of magnesium sulfite from magnesium-based exhaust gas cleaning system.

Oxidation of magnesium sulfite in washing water is essential for the treatment of by-product of shipboard magnesium-based exhaust gas cleaning systems. The purpose of this study is to obtain a highly efficient magnesium sulfite oxidation technology by using the jet aeration process. Response surface methodology and central composite design were used to investigate the effects of major variables on oxidation of magnesium sulfite and optimize the oxidation conditions. The predictions of the two response functions agree well with the experimental data. The optimum oxidation conditions for ship are temperature 318 K, liquid flow rate 4.04 m3/h, and pH 7.70. Under optimal conditions, 12 moles of magnesium sulfite were oxidized by 90% over 15 minutes at an energy consumption of 0.220 kw h.

Investigation of the status of interhospital transport of critically ill pediatric patients.

BACKGROUND: With the unequal distribution of medical resources in developing countries, critically ill children need to be transferred to tertiary hospitals from primary hospitals with limited resources. Although a large number of critically ill children are transferred each day in China, the standard process of inter-hospital transport is not formulated. METHODS: We retrospectively analyzed the data collected during transport. A total number of 9231 patients (≤14 years) who had been transferred to the Hunan Children's Hospital by a specialized team from primary hospitals from January 1, 2009 to June 30, 2012 were included in the study. RESULTS: Nearly half of the critically ill children were neonates (48.72%) and two thirds of the children were suffering from respiratory, neurological and cardiac diseases. Multivariate adjusted odds ratios (OR) and 95% confidence intervals (CI) were calculated using unconditional logistic regression. Mobilization time in non-working hours was longer than the working hours (OR=1.186, 95% CI=1.059-1.329). Our study showed that mobilization time for neonates was shorter than that for older children (OR=0.801, 95% CI=0.692-0.928). The mobilization time of referral cases was shorter in areas within a radius of 50 km than in those within a radius of over 250 km (OR=0.427, 95% CI=0.350-0.521). Referred patients in summer needed a significantly shorter mobilization time than in winter (OR=0.705, 95% CI=0.616-0.806). CONCLUSION: Standardized processes and guidelines for inter-hospital transport would be essential to ensure effective transport of patients and reduce the mobilization activation time.

[Argon plasma coagulation combined CO2 freezing through the flexible bronchoscope for treatment of airway granulation proliferation in children].

OBJECTIVE: To explore the safety and the efficacy of bronchoscopic argon plasma coagulation (APC) combined with CO2 freezing for the treatment of airway granulation hyperplasia after pediatric airway stenting. METHOD: From April 2010 to December 2012, APC combined CO2 cryotherapy was performed for granulation tissue hyperplasia in 8 children after airway stenting, their clinical data, complications and postoperative outcomes and follow-up data were analyzed. RESULT: Five of the 8 cases were male and 3 female, when stenting their age was 2 to 17 months, the average age was (8.63 ± 5.50) months. Granulation tissue hyperplasia appears in the range of bracket covering, common to both ends of the stent. The time from stentinging to find hyperplasia of granulation tissue was 20 days to 19 months. As a result, in 30%-100% of children airway narrowing was found. We applied APC treatment when the bronchoscopy found hyperplasia lesions, then we used CO2 cryotherapy, i.e., freezing was persisted for 1 min twice and more, then the probe was moved until the APC burning area was entirely frozen, dyspnea in children were significantly improved and two cases of atelectasis patients' lung were completely re-expanded. Eight patients had varying degrees of postoperative low to moderate fever, three cases had a small amount of active bleeding after APC treatment, hemostasis was achieved after topical application of endoscopic injection of epinephrine or reptilase bleeding and freezing, no complications occurred with CO2 cryotherapy. According to the efficacy criteria in this article, the result was significantly effective in 6 cases, effective in 1 case, and partially effective in 1 case. CONCLUSION: APC combined with CO2 cryotherapy may be one of the optional methods that rapidly eliminates granulation tissue and remove the airway obstruction, so it can be used in treatment of pediatric airway' benign lesions.