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Molecular dynamics simulation based prediction of T-cell epitopes for the production of effector molecules for liver cancer immunotherapy
Liver cancer is the sixth most frequent malignancy and the fourth major cause of deaths worldwide. The current treatments are only effective in early stages of cancer. To overcome the therapeutic challenges and exploration of immunotherapeutic options, broad spectral therapeutic vaccines could have significant impact. Based on immunoinformatic and integrated machine learning tools, we predicted the potential therapeutic vaccine candidates of liver cancer. In this study, machine learning and MD simulation-based approach are effectively used to design T-cell epitopes that aid the immune system against liver cancer. Antigenicity, molecular weight, subcellular localization and expression site predictions were used to shortlist liver cancer associated proteins including AMBP, CFB, CDHR5, VTN, APOBR, AFP, SERPINA1 and APOE. We predicted CD8+ T-cell epitopes of these proteins containing LGEGATEAE, LLYIGKDRK, EDIGTEADV, QVDAAMAGR, HLEARKKSK, HLCIRHEMT, LKLSKAVHK, EQGRVRAAT and CD4+ T-cell epitopes of VLGEGATEA, WVTKQLNEI, VEEDTKVNS, FTRINCQGK, WGILGREEA, LQDGEKIMS, VKFNKPFVF, VRAATVGSL. We observed the substantial physicochemical properties of these epitopes with a significant binding affinity with MHC molecules. A polyvalent construct of these epitopes was designed using suitable linkers and adjuvant indicated significant binding energy (>-10.5 kcal/mol) with MHC class-I and II molecule. Based on in silico cloning, we found the considerable compatibility of this polyvalent construct with the E. coli expression system and the efficiency of its translation in host. The system-level and machine learning based cross validations showed the possible effect of these T-cell epitopes as potential vaccine candidates for the treatment of liver cancer.
Design and optimization of hollow microneedle spacing for three materials using finite element methods
Creating a culture, not just a space—A qualitative investigation into reflective practice groups in inpatient mental health settings from the perspectives of facilitators and attendees
Background Working in inpatient mental health settings is often characterised by highly emotive work and staff shortages. Despite the suggested benefits of reflective practice groups on staff well-being and clinical practice across healthcare settings, to date, there have been limited empirical studies on reflective practice groups in inpatient mental health settings, especially on group engagement and improvement. Methods We interviewed fifteen participants, including both facilitators and attendees of reflective practice groups. Participants were from eight inpatient mental health wards across two National Health Service settings in the UK. We analysed interview transcripts using thematic analysis. Result We deductively organised the data into themes and subthemes under three overarching domains–“Impact”, “Factors on Engagement”, and “Improvement”. Theme development was generated inductively from the data. For impacts, we found reflective practice groups may bolster staff reflective capacity and team cohesion. The groups may help attendees create appropriate distance from their emotions and overcome power hierarchies. We discovered that the availability of reflective practice, sense of containment in groups, and team composition may influence group facilitation and engagement. For improvements, different measures could be adopted to improve access and engagement of staff with difficulties attending. Facilitators may benefit from more support to establish a reflective culture and experiment with new ways of facilitating. Discussion Our findings add to the growing evidence base of the potential value of reflective practice groups in inpatient settings and elaborate on novel mechanisms of their potential impact. This study highlights changeable factors for engagement, concrete recommendations for improvements, and opportunities for further research.
Synthesis and characterization of innovative GA@Ag-CuO nanocomposite with potent antimicrobial and anticancer properties
Self-efficacy and career intention: Uncovering the underlying processes
This study aims to suggest and empirically evaluate a conceptual framework that investigates the association of career self-efficacy with career intentions, emphasizing on the specific and sequential mediating mechanisms of two psychological constructs: person-environment (P-E) fit and career attitudes. Relationships among the constructs were hypothesized based on the relevant literature and were examined with AMOS and SPSS Process Macro using survey data collected from a sample of 341 job seekers in Bangladesh. Results showed that P-E fit and career attitudes each partially mediated the relationship between career self-efficacy and career intentions. Noticeably, both the mediators, together in sequence, completely mediated the above relationship. In light of the ensuring chain mediating role of P-E fit and career attitudes, a thorough understanding of the effects of self-efficacy on career intentions not only contributes to the existing literature, but also provides notable implications for career counselors and HR managers in today’s competing firms.
Preclinical evaluation of DC-CIK cells as potentially effective immunotherapy model for the treatment of glioblastoma
AbstractDespite the favorable effects of immunotherapies in multiple types of cancers, its complete success in CNS malignancies remains challenging. Recently, a successful clinical trial of cytokine-induced killer (CIK) cell immunotherapy in patients with glioblastoma (GBM) has opened a new avenue for adoptive cellular immunotherapies in CNS malignancies. Prompt from these findings, herein, we investigated whether dendritic cells (DC) in combination with cytokine-induced killer cells (DC-CIK) could also provide an alternative and more effective way to improve the efficacy of GBM treatment. The analysis showed that DC-CIK cells exerted a significant cytotoxic effect on the glioblastoma cell lines, especially with the phenotype of stem-like cells (GSCs). In addition, the increased specific lysis of these cells subsequent to DC-CIK co-culture was confirmed with confocal fluorescence microscope. The direct interactions between tumor and effector cells were found to be highly effective in GBM organoids (GBOs). Moreover, a significant increase in apoptosis and elevated levels of IFN-γ (and not TNF-α) secretion were observed as a targeting mechanism of DC-CIK cells against GBM cell models. Overall, we provide important preliminary evidence that DC-CIK cells may have potential in the treatment of CNS malignancies, particularly glioblastoma.
Effectiveness of robot-assisted task-oriented training intervention for upper limb and daily living skills in stroke patients: A meta-analysis
Purpose Stroke is one of the leading causes of acquired disability in adults in high-income countries. This study aims to determine the intervention effects of robot-assisted task-oriented training on enhancing the upper limb function and daily living skills of stroke patients. Methods A systematic search was conducted across PubMed, China National Knowledge Infrastructure, Web of Science, Cochrane Library, Embase, and Scopus databases through March 1, 2024. This process yielded 1,649 articles, from which 15 studies with 574 samples met the inclusion criteria for analysis. The quality of the included studies was evaluated using the Cochrane Risk of Bias tool. We performed meta-analyses, subgroup analyses, regression analyses, and sensitivity analyses using Review Manager 5.4 and Stata 17.0. Furthermore, publication bias was assessed using Begg’s and Egger’s tests. This study is registered with PROSPERO (No. CRD42024513483). Results A random effects model was utilized. The results indicated that robot-assisted task-oriented training significantly improved Fugl-Meyer Assessment-Upper Extremity scores compared to the control group [SMD = 1.01, 95% CI (0.57, 1.45)]. Similarly, robot-assisted task-oriented training demonstrated a significant effect on the Modified Barthel Index scores [SMD = 0.61, 95% CI (0.41, 0.82)]. Subgroup and regression analyses revealed that the use of combined interventions, the geographical region of the first author, and the age of the subjects did not appear to be sources of high heterogeneity. Publication bias tests using the FMA-UE as an outcome measure yielded Begg’s test (p = 0.76) and Egger’s test (p = 0.93), suggesting no significant publication bias. Sensitivity analyses confirmed the robustness of the study findings. Conclusions Robot-assisted task-oriented training significantly enhances the rehabilitation of upper limb function and the recovery of daily living skills in stroke patients.
Analysis and prediction of condylar resorption following orthognathic surgery
AbstractCondylar resorption is a feared complication of orthognathic surgery. This study investigated condylar resorption in a cohort of 200 patients This allowed for a powerful update on incidence and risk factors. 9.5% of patients developed resorption. These patients had on average, 17% volume loss with 3.9 mm ramal height loss and 3.1 mm posterior mandibular displacement. 2% of patients had bilateral resorption. Univariable analysis identified a younger age, a bimaxillary + genioplasty procedure, larger mandibular advancements, upward movements of the distal segment, a higher counterclockwise pitch of the distal segment, smaller preoperative condylar volumes and a higher anterior/posterior lower facial height ratio as risk factors on a patient level. Univariable analysis on a condylar level also identified compressive movements of the ramus and a higher mandibular plane angle as risk factors. Using machine learning for the multivariable analysis, the amount of mandibular advancement was the most important predictor for condylar resorption. There were no differences in preoperative mandibular, ramal or condylar shape between patients with or without resorption. These findings suggest condylar resorption may be more common than thought. Identifying risk factors allows surgical plans to be adjusted to reduce the likelihood of resorption, and patients can be more selectively screened postoperatively.
Social media-based Health Education plus Exercise Program (SHEEP) to improve muscle function among young-old adults with possible sarcopenia in the community: A feasibility study protocol
Background Despite the comparatively high prevalence of possible sarcopenia among young-old adults in the community, there is currently no available and effective social media-based intervention to increase the awareness and change the behavior of the target population to prevent sarcopenia. Using co-design methodology, we developed a multicomponent intervention strategy of health education and exercise for sarcopenia prevention utilizing the TikTok platform. Objectives The primary purpose of this study is to examine the feasibility and acceptability of the social media-based intervention to enhance muscle function in community-dwelling young-old adults with possible sarcopenia. Methods This protocol outlines the entire research procedure for a prospective single-arm pre-post feasibility study employing a mixed-method design, which will be conducted between May 2024 and September 2024. Thirty-five older adults aged 60–69 years with possible sarcopenia will be recruited from two communities in Changsha, China. Using the TikTok platform, participants will be required to view a total of seven health education videos in the first week, and each video lasts four to six minutes. Then, participants will receive six-week multi-component exercise through TikTok, with at least three sessions/week, 30 minutes/session, and moderate intensity. Data collection will be conducted in baseline, week 1, 4, 7, 10 and 13. The primary outcomes will include evaluating recruitment capability, data collection procedure, outcome measurement, intervention procedures’ acceptability, researchers’ ability to manage and implement the study, among others. The secondary outcome is to compare standard measures for muscle function (e.g. handgrip strength, skeletal muscle mass, physical performance), body composition (e.g. body fat, body mass index, bone mineral), and other measures (e.g. perceived knowledge, personal motivation, behavioral skills). Finally, all participants will be offered a semi-structured interview to assess their in-depth experiences with the intervention and research process. Discussion This study will be the first social-media based multicomponent intervention program for community young-old adults with possible sarcopenia to improve their muscle function, awareness and behavior of preventing sarcopenia. Findings will generate new evidence regarding the use of social media in health education for improving awareness of sarcopenia prevention, as well as the feasibility of using social media to influence participants’ behavioral changes through exercise. This may help researchers identify ways to optimize acceptability and efficacy of the SHEEP intervention for the targeted population. Trial registration ISRCTN registry, ISRCTN17269170, Registered 14 September 2023.
Design of anomalous reflecting metasurface for communication systems
Abstract This paper presents a novel design approach for an anomalous reflector metasurface for communication systems operating at 8 GHz band. The main contribution of this work is the development of a general analytical method that accurately calculates the electromagnetic response of realistic metasurfaces with periodic impedance profiles. The modulated surface impedance is achieved by incorporating appropriately sized conductive patches on a grounded dielectric substrate. The proposed design utilizes a genetic algorithm (GA) optimization technique to optimize the surface impedance that achieving efficient reflection of incident waves towards a specific angle of 45˚. The optimization process targets a specific impedance profile derived from the analytical model, leading to the desired anomalous reflection behavior. Then by using periodic boundary conditions, dimensions of an elliptical unit cells can be obtained. To evaluate the anomalous reflection performance, the bistatic radar cross section (BRCS) are simulated at different frequencies. A reflector metasurface sheet is fabricated and measured for verification. The proposed approach provides a foundation for implementing intelligent metasurfaces in various communication applications.
New-type urbanization and rural revitalization: A study on the coupled development of the Yangtze River Economic Belt, China
The coupled development of new-type urbanization (NTU) and rural revitalization (RR) represents a critical proposition put forth by China for forging a novel paradigm of urban-rural relationship. Initially, this study employs the entropy method to quantify NTU and RR. Subsequently, it carries out a comprehensive analysis concerning their coupled relationship with the relative development degree model (RDDM), coupled coordination degree model (CCDM), Dagum Gini coefficient, kernel density estimation, and Tobit model. The findings drawn from the study indicate from 2011 to 2022, NTU and RR in the Yangtze River Economic Belt (YREB) have exhibited a consistent upward trajectory, but lagging NTU disorders are widely distributed and numerous. The coupled coordination degree (CCD) of NTU and RR constantly improves, transitioning from moderate imbalance to primary coordination, exhibiting a spatial distribution of a "high in the east and low in the west". The relative disparity between the coupled development of NTU and RR demonstrates a slowly narrowing trend, whereas the absolute disparity indicates an expanding trend. Among the influencing factors, the development of the agricultural industry exerts the most significant positive impact on the coupled development, whereas the level of financial support for agriculture exerts a dampening effect, which is heterogeneous in nature.
Silver nanoparticles immobilized on crosslinked vinyl polymer for catalytic reduction of nitrophenol: experimental and computational studies
Abstract The removal of toxic nitrophenols from the industrial wastewater is urgently needed from health, environmental and economic aspects. The present study deals with the synthesis of crosslinked vinyl polymer Poly(divinylbenzene) (poly(DVB)) through free radical polymerization technique using AIBN as initiator and acetonitrile as solvent. The prepared polymer was used as a support for silver nanoparticles via chemical reduction of silver nitrate on the polymer network. The prepared poly(DVB) and Ag/poly(DVB) composite were characterized by different techniques including Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA), transmission electron microscopy (TEM), X-ray diffraction (XRD), and Brunauer Emmett-Teller (BET) analysis. The results exhibit that silver metal was well distributed on the surface of poly(DVB) without any aggregation as a nanocrystals with an average size 13 nm. Also, BET analysis confirm that Ag/poly(DVB) composite is a meso porous material with a surface area 127.428 m²/g. This composite was also applied as a heterogenous catalyst for the reduction of toxic nitrophenol in the industrial wastewater into a less toxic aminophenol with the aid of NaBH 4 as reductant. In addition, Ag/poly(DVB) catalyst regards as one of the most active catalyst that exhibits an advantage over the other catalysts showing similar activities in the aspects that it can be more readily prepared than the competitors and that it works at the lowest concentration of NaBH 4 . Interestingly, DFT calculations were conducted to provide atomistic insights into the reduction mechanism and a detailed catalytic pathway have been proposed. Furthermore, the reusability experiment confirm that Ag/poly(DVB) was stable and can be removed from the reaction mixture by centrifuge and reused for four successive cycles with a slight decrease in their catalytic activity.
Sex differences in psychiatric comorbidities of attention-deficit/hyperactivity disorder among children, adolescents, and adults: A nationwide population-based cohort study
This cross-sectional, nationwide, population-based study aimed to elucidate sex differences in psychiatric comorbidities of Attention-deficit/hyperactivity disorder (ADHD) across children, adolescents, and adults. We analyzed data from Taiwan’s comprehensive healthcare database, including 112,225 individuals diagnosed with ADHD, categorized by age (0–12, 13–18, ≥18 years) and sex. Psychiatric comorbidities were assessed using ICD-9-CM codes, focusing on age and sex-specific prevalence. Among the cohort, 83.50% were children (0–12 years) presenting primarily with learning disabilities and tics, while adolescents (13–18 years; 11.88%) had higher instances of oppositional defiant and conduct disorders. In adults (≥18 years; 4.62%), the prevalence of anxiety, depression, bipolar disorder, and substance misuse was notably higher. Males under 18 predominantly had ADHD, whereas females exhibited increased vulnerability to emotional disorders. In adulthood, males showed greater susceptibility to most psychiatric comorbidities, except sleep disorders. The study highlights the evolving nature of ADHD-related psychiatric comorbidities across different life stages, with distinct sex-based patterns. The transition from childhood to adulthood sees an increased prevalence of various psychiatric conditions, particularly impacting adult males. These findings underscore the need for age- and sex-specific therapeutic approaches in ADHD management. The cultural context of the study necessitates further research in diverse populations for broader applicability of the findings.
Assessment of choroidal vessels in healthy eyes using 3-dimensional vascular maps and a semi-automated deep learning approach
Investigating the point prevalence, types, severity, causes and predictors of vaccines administration errors during COVID-19 pandemic in Jordan
Background There is a paucity of research regarding COVID-19 vaccines administration errors (VAEs) during the COVID-19 pandemic. This study aimed to investigate the prevalence, types, severity, causes and predictors of VAEs in Jordan during the recent pandemic. Method This was a 3-day (Sunday, Tuesday and Thursday of the third week of November 2021) prospective, covert observational point prevalence study. It involved direct observation of vaccination administration practices by covert observers who recorded data on a standardized form, documenting the administration process, observed errors, and contextual factors, such as workload, distractions, and interruptions directly after each observation. Univariate and multivariable logistic models were constructed in order to identify predictors of VAEs. Results The point prevalence of VAEs was 2.4% (209 errors / 8743 vaccine doses). These VAEs were categorized into six types: timing (interval) error (69, 33.0%) dosing error (60, 28.7%), incorrect vaccine product (42, 20.1%), site/route error (17, 8.1%), documentation error (15, 7.2%), and other (6, 2.9%). Most errors were minor (133, 63.6%) and moderate (63, 30.1%). There were 174 (54.9%) healthcare provider-related contributing factors and 102 (32.2%) patient-related factors. Receiving the vaccine in the Southern region compared to Capital region (aOR: 1.92; 95% confidence intervals, 95%CI: 1.41–2.49; p = 0.001) and receiving the vaccine during peak hours compared to regular hours (aOR: 2.18; 95%CI: 1.58–3.86; p = 0.002) were significant predictors of VAEs. Conclusion Though infrequent, VAEs had prevalence higher than previously reported in the literature, posing serious public health challenges, which might have compromised immunization efficacy and patient safety. Identifying these errors’ causes and formulating strategies to reduce them is crucial for enhancing vaccination results.
Combating COVID-19 and its co-infection by Aspergillus tamarii SP73-EGY using in vitro and in silico Studies
AbstractThe COVID-19 pandemic has caused significant mortality and morbidity for millions of people. Severe Acute Respiratory Syndrome-2 (SARS-CoV-2) virus is capable of causing severe and fatal diseases. We evaluated the antiviral properties of Aspergillus tamarii SP73-EGY isolate extract against low pathogenic coronavirus (229E), Adeno-7- and Herpes-2 viruses. The extract showed a high selectivity index (SI = 43.4) and a significant inhibition of 229E (IC50 = 8.205 μg/ml). It was stronger than the drug control, remdesivir (IC50 = 38.2 μg/ml, SI = 7.29). However, the extract showed minimal efficacy against Adeno-7- and Herpes-2-Viruses (IC50 = 22.52, 47.79 μg/ml, and SI = 6.75, 5.08, respectively). It exhibited profound efficacy against the highly pathogenic SARS-CoV-2 (IC50 = 8.306 μg/ml, SI = 42.2). Kojic acid, the primary component of the extract, showed substantial antiviral activity against SARS-CoV-2 (IC50 = 23.4 μg/ml, SI = 5.6), Remdesivir (IC50 = 4.55 μg/ml, SI = 61.45). Therefore, the extract demonstrated the most notable antiviral characteristics against coronavirus infection. Co-infecting microorganisms may contribute to immune system deterioration and airway injury caused by SARS-CoV-2. The extract showed significant efficacy against E. coli and P. aeruginosa, with an inhibition range of 3.5–10 mm at a concentration of 200 mg/ml. A molecular docking study showed that hexadecanoic, Kojic, octanoic acids, and 4(4-Methylbenzylidene)cyclohexane-1,3-dione have stronger binding affinity to the SARS-CoV-2 Mpro than Remdesivir. Molecular dynamics simulations were employed to examine the structural stability and flexibility of these complexes. This confirmed the high binding affinities of Kojic acid and 4(4-Methylbenzylidene)cyclohexane-1,3-dione, thereby proving their potential as novel anti-SARS-CoV-2.
Late-stage changes in the composition of cell walls of maize plants expressing an apoplast targeted, senescence enhanced fungal ferulic acid esterase, and the subsequent effects on tissue saccharification
Using maize plants expressing an apoplast targeted Aspergillus niger ferulic acid esterase (FAEA), with FAEA driven by a Lolium multiflorum senescence enhanced promoter (LmSee1), we extended measurements of FAEA activity to late-stage senescing plants and measured the stability of FAEA activity following stover storage. The impact of FAEA expression on cell wall hydroxycinnamic acid levels and arabinoxylan (AX) cross-links, and on the levels of cell wall sugars, acetyl bromide lignin and sugar release following saccharification by a cocktail of cellulases and xylanases, was assessed during plant development to full leaf senescence. These were determined in both individual internodes and in combined leaves and combined internodes of FAEA expressing and control partner plants. FAEA expression was found to increase with plant growth up to the reproductive stage (R) of development in both stems and leaves but decreased as the leaves entered full senescence at R+ (18–20 d after R) stage. Moreover, FAEA activity was shown to be relatively stable over a six-month period following stover storage at 4°C. This FAEA expression resulted in significantly reduced levels of cell wall ferulates and diferulates in internodes. The internodes of late stage and senescing FAEA-expressing plants exhibited significantly improved saccharification with a cocktail of cellulase and xylanase enzymes at both the R and R+ stages of development.
Comparative analysis of Q-learning, SARSA, and deep Q-network for microgrid energy management
Lessons learned from cross-sectoral collaboration to protect migrant farmworkers during COVID-19 in Spain
In Spain, the agricultural sector relies heavily on migrant workers, especially during seasonal seasons. However, these workers face significant challenges related to precarious working conditions and structural vulnerability, which have become more acute since the outbreak of the COVID-19 pandemic. This descriptive qualitative study was based on 87 personal interviews with health and social professionals from sectors such as NGOs, social services, trade unions, local institutions, and health services to promote compliance with these measures in four Spanish regions. It explored the difficulties faced by migrant agricultural workers in complying with prevention measures during the COVID-19 pandemic, the measures taken by organizations and public institutions and the health consequences of the pandemic on this group. After a reflexive thematic analysis, the results show how to mitigate the pandemic’s impact, both local authorities and NGOs implemented extraordinary measures to care for migrant farm workers. Responses to the pandemic included temporary housing, mass testing, and stricter labor regulations. Working conditions, constant mobility, precarious housing, and language barriers contributed to the difficulty of implementing preventive measures. Covid-19 intensified inequalities and highlighted the lack of preparedness of institutions to deal with this group. The conclusions suggest that intercultural competence in health professional training and the creation of inclusive approaches to health and social care are critical to addressing health disparities and ensuring the well-being of all migrant farm workers, regardless of their migration status or mobility.