RESUMEN
Methanol oxidation efficiency and resistance to CO poisoning are the most challenging issues associated with direct methanol fuel cells. Much experimental effort has been undertaken, such as generating Pt-based binary and ternary nanoparticles, creating composite substrates, and fabricating nanoparticles with special shapes, to overcome these drawbacks. Our previous experiment showed that ternary PtRuM3/C-MWCNT (M = Fe and Co; C-MWCNT = carbon Vulcan-multiwalled carbon nanotube) electrocatalysts exhibited high methanol oxidation activity and tolerance to CO poisoning. However, reaction mechanisms on ternary PtRuM3/C-MWCNT (M = Fe and Co) electrocatalysts remain unknown. Therefore, this work is devoted to elucidating the problem using density functional theory calculations and thermodynamic models. Our present study showed that methanol oxidation proceeds via four possible reaction pathways on the surface of PtRuM3/C-MWCNTs, where the most favourable one follows a series of steps converting with a thermodynamic barrier of 0.513 eV for applied potentials of U = 0 V and 1.005 V on PtRuFe3/C-MWCNTs and 0.404 eV for U = 0 V and 0.167 eV for U = 1.005 V on PtRuCo3/C-MWCNTs. We also provide physical insights into the interaction between methanol oxidation intermediates and substrates' surface by analysing electronic properties. Our findings support the results of our previous experiment. The results of this study can be useful for rationally designing the anode for fuel cells.
RESUMEN
Finding renewable energy sources to replace fossil energy has been an essential demand in recent years. Hydrogen gas has been becoming a research hotspot for its clean and free-carbon energy. However, hydrogen storage technology is challenging for mobile and automotive applications. Metal-organic frameworks (MOFs) have emerged as one of the most advanced materials for hydrogen storage due to their exceptionally high surface area, ultra-large and tuneable pore size. Recently, computer simulations allowed the designing of new MOF structures with significant hydrogen storage capacity. However, no studies are available to elucidate the hydrogen storage in M(BDC)(TED)0.5, where M = metal, BDC = 1,4-benzene dicarboxylate, and TED = triethylenediamine. In this report, we used van der Waals-dispersion corrected density functional theory and grand canonical Monte Carlo methods to explore the electronic structure properties, adsorption energies, and gravimetric and volumetric hydrogen loadings in M(BDC)(TED)0.5 (M = Mg, V, Co, Ni, and Cu). Our results showed that the most favourable adsorption site of H2 in M(BDC)(TED)0.5 is the metal cluster-TED intersection region, in which Ni offers the strongest binding strength with the adsorption energy of -16.9 kJ mol-1. Besides, the H2@M(BDC)(TED)0.5 interaction is physisorption, which mainly stems from the contribution of the d orbitals of the metal atoms for M = Ni, V, Cu, and Co and the p orbitals of the O, C, N atoms for M = Mg interacting with the σ* state of the adsorbed hydrogen molecule. Noticeably, the alkaline-earth metal Mg strongly enhanced the specific surface area and pore size of the M(BDC)(TED)0.5 MOF, leading to an enormous increase in hydrogen storage with the highest absolute (excess) gravimetric and volumetric uptakes of 1.05 (0.36) wt% and 7.47 (2.59) g L-1 at 298 K and 7.42 (5.80) wt% and 52.77 (41.26) g L-1 at 77 K, respectively. The results are comparable to the other MOFs found in the literature.
RESUMEN
The adsorption of organic compounds onto metal surfaces holds significant importance across various applications, where understanding the intricate interactions between the compounds and the metal surfaces is indispensable. By using density functional theory calculations, this study investigated the impact of functional groups on the interaction between the thione form of 2-mercaptobenzothiazole (MBT) and the Cu(111) surface. The results indicated that substituting functional groups at the C6 position exerts a dual influence on the covalent and non-covalent interactions (NCI). Electron-donating groups enhanced both covalent and non-covalent interactions, whereas electron-withdrawing groups decreased covalent while increasing non-covalent interactions. The covalent interaction between MBTs and Cu(111) is mainly governed by the electron donation from the occupied orbitals of the molecules to the conduction band of copper, with the absolute interaction energies (eV) increasing in the order of MBT-NO2 (0.629) < MBT-COOH (0.660) < MBT-Cl (0.699) < MBT (0.715) < MBT-SH (0.727) < MBT-OH (0.733) < MBT-CH3 (0.735) < MBT-OCH3 (0.749) < MBT-NH2 (0.781) < MBT-NHCH3 (0.792). The influence of functional groups on covalent interactions is clarified by examining changes in the molecule's electronic structure, revealing a linear relationship between covalent interaction energy and HOMO energy, or the Hammett substituent constant. However, the impact of functional groups on non-covalent interactions is more complex and cannot be described by changes in the electronic structure. A novel parameter, the substitution interaction energy, was proposed to capture the effect of functional groups on the NCI-included adsorption energy of MBT derivatives on the Cu(111) surface. The stronger the substitution interaction, the stronger the NCI-included interaction of MBTs on Cu(111). The absolute NCI-included interaction energies follow the order of MBT (2.141) < MBT-Cl (2.213) < MBT-COOH (2.266) < MBT-CH3 (2.294) < MBT-OH (2.331) < MBT-OCH3 (2.379) < MBT-NO2 (2.461) = MBT-NH2 (2.461) < MBT-SH (2.530) < MBT-NHCH3 (2.565). These insights offer valuable guidance for manipulating the adsorption of organic substances on metal surfaces through functional groups in diverse applications.
RESUMEN
Machine learning (ML) techniques have shown great potential for screening corrosion inhibitors. In this study, a data-driven quantitative structure-property relationship (QSPR) model using the gradient boosting decision tree (GB) algorithm combined with the permutation feature importance (PFI) technique was developed to predict the corrosion inhibition efficiency (IE) of organic compounds on carbon steel. The results showed that the PFI method effectively selected the molecular descriptors most relevant to the IE. Using these important molecular descriptors, an IE predictive model was trained on a dataset encompassing various categories of organic corrosion inhibitors for carbon steel, achieving RMSE, MAE, and R2 of 6.40%, 4.80%, and 0.72, respectively. The integration of GB with PFI within the ML workflow demonstrated significantly enhanced IE predictive capability compared to previously reported ML models. Subsequent assessments involved the application of the trained model to drug-based corrosion inhibitors. The model demonstrates robust predictive capability when validated on available and our own experimental results. Furthermore, the model has been employed to predict IE for more than 1500 drug compounds, suggesting five novel drug compounds with the highest predicted IE on carbon steel. The developed ML workflow and associated model will be useful in accelerating the development of next-generation corrosion inhibitors for carbon steel.
RESUMEN
The CO2 conversion to methanol (CO2-to-CH3OH conversion) is a promising way to resolve greenhouse gas emissions and global energy shortage. Many catalysts are of interest in improving the efficiency of the conversion reaction. The PdCo alloy is a potential catalyst, but no research is available to clarify the CO2-to-CH3OH reaction mechanism of this alloy. Here, using density functional theory combined with the thermodynamic model, we elucidated the reaction mechanism of the CO2-to-CH3OH conversion on the Pd-skin/PdCo alloy catalyst via thermo- and electro-catalytic processes. The adsorption of CO2-to-CH3OH intermediates with key stable intermediates such as HCOO, COOH, and CO was explored. Free-energy diagrams for the CO2-to-CH3OH conversion were constructed. We found that the formate pathway is the most favorable one. The charge transfer plays a crucial role in the substrate-adsorbate interaction via electronic structure analysis. This work provides valuable guidance for designing Pd-based catalysts for the CO2-to-CH3OH conversion.
RESUMEN
BACKGROUND: There is conflicting evidence on association between quick sequential organ failure assessment (qSOFA) and sepsis mortality in ICU patients. The primary aim of this study was to determine the association between qSOFA and 28-day mortality in ICU patients admitted for sepsis. Association of qSOFA with early (3-day), medium (28-day), late (90-day) mortality was assessed in low and lower middle income (LLMIC), upper middle income (UMIC) and high income (HIC) countries/regions. METHODS: This was a secondary analysis of the MOSAICS II study, an international prospective observational study on sepsis epidemiology in Asian ICUs. Associations between qSOFA at ICU admission and mortality were separately assessed in LLMIC, UMIC and HIC countries/regions. Modified Poisson regression was used to determine the adjusted relative risk (RR) of qSOFA score on mortality at 28 days with adjustments for confounders identified in the MOSAICS II study. RESULTS: Among the MOSAICS II study cohort of 4980 patients, 4826 patients from 343 ICUs and 22 countries were included in this secondary analysis. Higher qSOFA was associated with increasing 28-day mortality, but this was only observed in LLMIC (p < 0.001) and UMIC (p < 0.001) and not HIC (p = 0.220) countries/regions. Similarly, higher 90-day mortality was associated with increased qSOFA in LLMIC (p < 0.001) and UMIC (p < 0.001) only. In contrast, higher 3-day mortality with increasing qSOFA score was observed across all income countries/regions (p < 0.001). Multivariate analysis showed that qSOFA remained associated with 28-day mortality (adjusted RR 1.09 (1.00-1.18), p = 0.038) even after adjustments for covariates including APACHE II, SOFA, income country/region and administration of antibiotics within 3 h. CONCLUSIONS: qSOFA was independently associated with 28-day mortality in ICU patients admitted for sepsis. In LLMIC and UMIC countries/regions, qSOFA was associated with early to late mortality but only early mortality in HIC countries/regions.
Asunto(s)
Puntuaciones en la Disfunción de Órganos , Sepsis , Humanos , APACHE , Unidades de Cuidados Intensivos , Pronóstico , Estudios ProspectivosRESUMEN
BACKGROUND: To prevent school injuries, thorough epidemiological data is an essential foundation. We aimed to investigate the characteristics of school injuries in Asia and explore risk factors for major trauma. METHODS: This retrospective study was conducted in the participating centers of the Pan-Asian Trauma Outcome Study from October 2015 to December 2020. Subjects who reported "school" as the site of injury were included. Major trauma was defined as an Injury Severity Score (ISS) value of ≥16. RESULTS: In total, 1305 injury cases (1.0% of 127,715 events) occurred at schools. Among these, 68.2% were children. Unintentional injuries were the leading cause and intentional injuries comprised 7.5% of the cohort. Major trauma accounted for 7.1% of those with documented ISS values. Multivariable regression revealed associations between major trauma and factors, including age, intention of injury (self-harm), type of injury (traffic injuries, falls), and body part injured (head, thorax, and abdomen). Twenty-two (1.7%) died, with six deaths related to self-harm. Females represented 28.4% of injuries but accounted for 40.9% of all deaths. CONCLUSIONS: In Asia, injuries at schools affect a significant number of children. Although the incidence of injuries was higher in males, self-inflicted injuries and mortality cases were relatively higher in females. IMPACT: Epidemiological data and risk factors for major trauma resulting from school injuries in Asia are lacking. This study identified significant risk factors for major trauma occurring at schools, including age, intention of injury (self-harm), injury type (traffic injuries, falls), and body part injured (head, thoracic, and abdominal injuries). Although the incidence of injuries was higher in males, the incidence of self-harm injuries and mortality rates were higher in females. The results of this would make a significant contribution to the development of prevention strategies and relative policies concerning school injuries.
Asunto(s)
Accidentes de Tránsito , Heridas y Lesiones , Niño , Masculino , Femenino , Humanos , Estudios Retrospectivos , Accidentes de Tránsito/prevención & control , Puntaje de Gravedad del Traumatismo , Asia/epidemiología , Instituciones Académicas , Heridas y Lesiones/epidemiologíaRESUMEN
BACKGROUND/PURPOSE: To develop a prediction model for emergency medical technicians (EMTs) to identify trauma patients at high risk of deterioration to emergency medical service (EMS)-witnessed traumatic cardiac arrest (TCA) on the scene or en route. METHODS: We developed a prediction model using the classical cross-validation method from the Pan-Asia Trauma Outcomes Study (PATOS) database from 1 January 2015 to 31 December 2020. Eligible patients aged ≥18 years were transported to the hospital by the EMS. The primary outcome (EMS-witnessed TCA) was defined based on changes in vital signs measured on the scene or en route. We included variables that were immediately measurable as potential predictors when EMTs arrived. An integer point value system was built using multivariable logistic regression. The area under the receiver operating characteristic (AUROC) curve and Hosmer-Lemeshow (HL) test were used to examine discrimination and calibration in the derivation and validation cohorts. RESULTS: In total, 74,844 patients were eligible for database review. The model comprised five prehospital predictors: age <40 years, systolic blood pressure <100 mmHg, respiration rate >20/minute, pulse oximetry <94%, and levels of consciousness to pain or unresponsiveness. The AUROC in the derivation and validation cohorts was 0.767 and 0.782, respectively. The HL test revealed good calibration of the model (p = 0.906). CONCLUSION: We established a prediction model using variables from the PATOS database and measured them immediately after EMS personnel arrived to predict EMS-witnessed TCA. The model allows prehospital medical personnel to focus on high-risk patients and promptly administer optimal treatment.
Asunto(s)
Reanimación Cardiopulmonar , Servicios Médicos de Urgencia , Auxiliares de Urgencia , Paro Cardíaco Extrahospitalario , Humanos , Adolescente , Adulto , Paro Cardíaco Extrahospitalario/terapia , Hospitales , Estudios de CohortesRESUMEN
PURPOSE: This study investigated current practices of mechanical ventilation in Asian intensive care units, focusing on tidal volume, plateau pressure, and positive end-expiratory pressure (PEEP). MATERIALS AND METHODS: In this multicenter cross-sectional study, data on mechanical ventilation and clinical outcomes were collected. Predictors of mortality were analyzed by univariate and multivariable logistic regression. A scoring system was generated to predict 28-day mortality. RESULTS: A total of 1408 patients were enrolled. In 138 patients with acute respiratory distress syndrome (ARDS), 65.9% were on a tidal volume ≤ 8 ml/kg predicted body weight (PBW), and 71.3% were on sufficient PEEP. In 1270 patients without ARDS, 88.8% were on a tidal volume ≤ 10 ml/kg PBW. A plateau pressure < 30 cmH2O was measured in 92.2% of patients. Mortality rates increased from 13% to 74% as the generated predictive score increased from 5 to ≥8.5. Income classification, age, SOFA score, PaO2/FiO2 ratio, plateau pressure, number of vasopressors, and steroid use were associated with mortality. CONCLUSIONS: In Asia, low tidal volume ventilation and sufficient PEEP were underused in patients with ARDS. The majority of patients without ARDS were on intermediate tidal volumes. Country income, age, and severity of illness were associated with mortality.
Asunto(s)
Respiración Artificial , Síndrome de Dificultad Respiratoria , Humanos , Estudios Transversales , Respiración con Presión Positiva , Volumen de Ventilación Pulmonar , Síndrome de Dificultad Respiratoria/terapia , Unidades de Cuidados IntensivosRESUMEN
INTRODUCTION: The South-East Asian (SEA) region and India are highly susceptible to antibiotic resistance, which is caused due to lack of antimicrobial stewardship (AMS) knowledge, uncontrolled use of antibiotics, and poor infection control. Nonadherence to national/local guidelines, developed to combat antimicrobial resistance, is a major concern. A virtual advisory board was conducted to understand the current AMS standards and challenges in its implementation in these regions. AREAS COVERED: Procalcitonin (PCT)-guided antibiotic use was discussed in various clinical conditions across initiation, management, and discontinuation stages. Most experts strongly recommended using PCT-driven antibiotic therapy among patients with lower respiratory tract infections, sepsis, and COVID-19. However, additional research is required to understand the optimal use of PCT in patients with organ transplantation and cancer patients with febrile neutropenia. Implementation of the solutions discussed in this review can help improve PCT utilization in guiding AMS in these regions and reducing challenges. EXPERT OPINION: Experts strongly support the inclusion of PCT in AMS. They believe that PCT in combination with other clinical data to guide antibiotic therapy may result in more personalized and precise targeted antibiotic treatment. The future of PCT in antibiotic treatment is promising and may result in effective utilization of this biomarker.
Asunto(s)
Programas de Optimización del Uso de los Antimicrobianos , Sepsis , Humanos , Polipéptido alfa Relacionado con Calcitonina , Consenso , Sepsis/tratamiento farmacológico , Antibacterianos/uso terapéutico , Biomarcadores , India , Asia OrientalRESUMEN
Gas sensors are used to detect gas components in human breath to diagnose diseases, such as cancers. However, choosing suitable two-dimensional materials for gas sensors is a challenge. Germanene can be a good candidate because of its outstanding electronic and structural properties. Based on the density functional theory calculations with various schemes, such as PBE + vdW-DF2, HSE06 + PBE, and HSE06 + vdW-DF2, we elucidated the structural and electronic properties of germanene substrates (perfect, vacancy-1, and vacancy-2) while adsorbing hepatocellular carcinoma-related volatile organic compounds (VOCs), i.e., acetone, 1,4-pentadiene, methylene chloride, phenol, and allyl methyl sulfide. These gases have been selected for investigation because of their most frequent occurence in diagnosing the disease. We found that vacancy substrates enhanced the adsorption strength of the VOCs compared to the perfect one, where the phenol adsorbed most strongly and exhibited the most profound influence on the structural deformation of the substrates over the other VOCs. Besides, the adsorbed VOCs significantly modified the energy bandgap of the considered germanene substrates. In particular, the gases, except allyl methyl sulfide, vanished the bandgap of the vacancy-1 germanene and converted this substrate from a semiconductor to a metal, while they widened the bandgap of the vacancy-2 structure compared to the isolated case. Therefore, the perfect and vacancy-2 germanene sheets could maintain their semiconducting state upon gas adsorption, implying that these substrates may be suitable candidates for gas sensing applications. The nature of the interaction between the VOCs and the germanene substrates is a physical adsorption with a weak charge exchange, which mainly comes from the contribution of the pz orbital of the VOCs and the pz orbital of Ge.
RESUMEN
OBJECTIVE: Asia is experiencing a demographic shift toward an aging population at an unrivaled rate. This can influence the characteristics and outcomes of trauma. We aim to examine different characteristics of older adult trauma patients compared to younger adult trauma patients and describe factors that affect the outcomes in Asian countries. METHODS: This is a retrospective, international, multicenter study of trauma across participating centers in the Pan Asian Trauma Outcome Study (PATOS) registry, which included trauma cases aged ≥18 years, brought to the emergency department (ED) by emergency medical services (EMS) from October 2015 to November 2018. Data of older adults (≥65 years) and younger adults (<65 years) were analyzed and compared. The primary outcome measure was in-hospital mortality, and secondary outcomes were disability at discharge and hospital and intensive care unit (ICU) length of stays. RESULTS: Of 39,804 trauma patients, 10,770 (27.1%) were older adults. Trauma occurred more among older adult women (54.7% vs 33.2%, p < 0.001). Falls were more frequent in older adults (66.3% vs 24.9%, p < 0.001) who also had higher mean Injury Severity Score (ISS) compared to the younger adult trauma patient (5.4 ± 6.78 vs 4.76 ± 8.60, p < 0.001). Older adult trauma patients had a greater incidence of poor Glasgow Outcome Scale (GOS) (13.4% vs 4.1%, p < 0.001), higher hospital mortality (1.5% vs 0.9%, p < 0.001) and longer median hospital length of stay (12.8 vs 9.8, p < 0.001). Multiple logistic regression revealed age (adjusted odds ratio [AOR] 1.06, 95%CI 1.02-1.04, p < 0.001), male sex (AOR 1.60, 95%CI 1.04-2.46, p = 0.032), head and face injuries (AOR 3.25, 95%CI 2.06-5.11, p < 0.001), abdominal and pelvic injuries (AOR 2.78, 95%CI 1.48-5.23, p = 0.002), cardiovascular (AOR 2.71, 95%CI 1.40-5.22, p = 0.003), pulmonary (AOR 3.13, 95%CI 1.30-7.53, p = 0.011) and cancer (AOR 2.03, 95%CI 1.02-4.06, p = 0.045) comorbidities, severe ISS (AOR 2.06, 95%CI 1.23-3.45, p = 0.006), and Glasgow Coma Scale (GCS) ≤8 (AOR 12.50, 95%CI 6.95-22.48, p < 0.001) were significant predictors of hospital mortality. CONCLUSIONS: Older trauma patients in the Asian region have a higher mortality rate than their younger counterparts, with many significant predictors. These findings illustrate the different characteristics of older trauma patients and their potential to influence the outcome. Preventive measures for elderly trauma should be targeted based on these factors.
Asunto(s)
Servicios Médicos de Urgencia , Heridas y Lesiones , Anciano , Humanos , Masculino , Femenino , Adolescente , Adulto , Estudios Retrospectivos , Centros Traumatológicos , Evaluación de Resultado en la Atención de Salud , Sistema de Registros , Puntaje de Gravedad del Traumatismo , Heridas y Lesiones/epidemiologíaRESUMEN
BACKGROUND: The shock index (SI) predicts short-term mortality in trauma patients. Other shock indices have been developed to improve discriminant accuracy. The authors examined the discriminant ability of the SI, modified SI (MSI), and reverse SI multiplied by the Glasgow Coma Scale (rSIG) on short-term mortality and functional outcomes. METHODS: The authors evaluated a cohort of adult trauma patients transported to emergency departments. The first vital signs were used to calculate the SI, MSI, and rSIG. The areas under the receiver operating characteristic curves and test results were used to compare the discriminant performance of the indices on short-term mortality and poor functional outcomes. A subgroup analysis of geriatric patients with traumatic brain injury, penetrating injury, and nonpenetrating injury was performed. RESULTS: A total of 105 641 patients (49±20 years, 62% male) met the inclusion criteria. The rSIG had the highest areas under the receiver operating characteristic curve for short-term mortality (0.800, CI: 0.791-0.809) and poor functional outcome (0.596, CI: 0.590-0.602). The cutoff for rSIG was 18 for short-term mortality and poor functional outcomes with sensitivities of 0.668 and 0.371 and specificities of 0.805 and 0.813, respectively. The positive predictive values were 9.57% and 22.31%, and the negative predictive values were 98.74% and 89.97%. rSIG also had better discriminant ability in geriatrics, traumatic brain injury, and nonpenetrating injury. CONCLUSION: The rSIG with a cutoff of 18 was accurate for short-term mortality in Asian adult trauma patients. Moreover, rSIG discriminates poor functional outcomes better than the commonly used SI and MSI.
Asunto(s)
Lesiones Traumáticas del Encéfalo , Heridas no Penetrantes , Humanos , Adulto , Masculino , Anciano , Femenino , Escala de Coma de Glasgow , Estudios Retrospectivos , Lesiones Traumáticas del Encéfalo/complicaciones , Lesiones Traumáticas del Encéfalo/diagnóstico , Servicio de Urgencia en HospitalRESUMEN
CO2 capture is a crucial strategy to mitigate global warming and protect a sustainable environment. Metal-organic frameworks with large surface area, high flexibility, and reversible adsorption and desorption of gases are good candidates for CO2 capture. Among the synthesized metal-organic frameworks, the MIL-88 series has attracted our attention due to their excellent stability. However, a systematic investigation of CO2 capture in the MIL-88 series with different organic linkers is not available. Therefore, we clarified the topic via two sections: (1) elucidate physical insights into the CO2@MIL-88 interaction by van der Waals-dispersion correction density functional theory calculations, and (2) quantitatively study the CO2 capture capacity by grand canonical Monte Carlo simulations. We found that the 1πg, 2σu/1πu, and 2σg peaks of the CO2 molecule and the C and O p orbitals of the MIL-88 series are the predominant contributors to the CO2@MIL-88 interaction. The MIL-88 series, i.e., MIL-88A, B, C, and D, has the same metal oxide node but different organic linkers: fumarate (MIL-88A), 1,4-benzene-dicarboxylate (MIL-88B), 2,6-naphthalene-dicarboxylate (MIL-88C), and 4,4'-biphenyl-dicarboxylate (MIL-88D). The results exhibited that fumarate should be the best replacement for both the gravimetric and volumetric CO2 uptakes. We also pointed out a proportional relationship between the capture capacities with electronic properties and other parameters.
RESUMEN
Children and adolescents are vulnerable to non-accidental injury. Early identification and prevention rely on detailed epidemiological studies, which are limited in Asia. This retrospective study used the registry data of Pan-Asian Trauma Outcome Study (PATOS) from October 1, 2015 to December, 31, 2020. Pediatric patients (aged < 20 years) with non-accidental injuries were enrolled, which were divided by age into preschool (0-6 years), child (7-12 years), and adolescent (13-19 years) groups. Baseline characteristics, injury epidemiology, and excess mortality ratio-adjusted injury severity score (EMR-ISS) were collected. Major trauma was defined as an EMR-ISS score > 24. The study enrolled 451 patients with non-accidental injuries, accounting for 2.81% of pediatric trauma events presented to an emergency department in the PATOS registry. The overall mortality rate was 0.9%, similar to those in Western countries. Mortality rate was high in preschool children (8.7%, p = 0.017) than in other age groups. The sex-specific incidence was higher in boys (3.10% vs. 2.13%, p = 0.001). In adolescents, more events occurred on the street (25.9%), whereas home remained the most common locale in girls of all ages. In the multivariable regression analysis, abdominal and multiple injuries were risk factors for major trauma.
Asunto(s)
Traumatismo Múltiple , Heridas y Lesiones , Masculino , Femenino , Humanos , Niño , Preescolar , Adolescente , Lactante , Estudios Retrospectivos , Asia , Servicio de Urgencia en Hospital , Puntaje de Gravedad del Traumatismo , Heridas y Lesiones/epidemiologíaRESUMEN
The activity of the oxygen reduction reaction (ORR) on the cathode is one of the dominant factors in the performance of proton exchange membrane fuel cells. Iron porphyrin has low cost, environmental benignity, and maximum efficiency of metal usage. Therefore, this material can be a promising single-atomic metal dispersion catalyst for fuel cell cathodes. The variation of functional groups was proven to effectively modify the activity of the ORR on the iron porphyrin. However, the influences of functional groups on the mechanisms of the ORR remain ambiguous. This work paid attention to the substitution of carboxyl (-COOH), methyl (-CH3), and amino (-NH2) functional groups at the meso positions of the porphyrin ring. By using van der Waals density functional theory (vdW-DF) calculations, we found that the ORR mechanisms can follow the associative and dissociative pathways, respectively. The Gibbs free energy diagrams revealed that the rate-limiting step occurs at the second hydrogenation step for the first pathway and the O2 dissociation step for the second pathway for all considered functional groups. The thermodynamic energy barrier at the rate-limiting step was found to be in the following order: porphyrin-(CH3)4 < porphyrin-(NH2)4 < original porphyrin < porphyrin-(COOH)4 for the associative mechanism and porphyrin-(NH2)4 < porphyrin-(CH3)4 < porphyrin-(COOH)4 < original porphyrin for the dissociative pathway. The findings suggested that porphyrin-(CH3)4 and porphyrin-(NH2)4 should be the best choices among the considered substrates for the oxygen reduction reaction. Furthermore, the interaction between the ORR intermediates and the substrates was attributed to the resonance of the d z 2 , d xz , and d yz components of the Fe d orbital and the C and N p orbitals of the substrates with the p orbitals of the oxygen atoms in the intermediates. Finally, the nature of the interaction between the adsorbent and adsorbate was charge transfer.
RESUMEN
OBJECTIVE: Injury is a major cause of morbidity and mortality in children. However, the epidemiology and prehospital care for pediatric unintentional injuries in Asia are still unclear. METHODS: A total of 9,737 pediatric patients aged <18 years with unintentional injuries cared for at participating centers of the Pan-Asian Trauma Outcome Study (PATOS) from October 2015 to December 2020 were reviewed retrospectively. Patients were divided into two groups: those <8 and those ≥8 years of age. Variables such as patient demographics, injury epidemiology, Injury Severity Score (ISS), and prehospital care were collected. Injury severity and administered prehospital care stratified by gross national income were also analyzed. RESULTS: Pediatric unintentional injuries accounted for 9.4% of EMS-transported trauma cases in the participating Asian centers, and the mortality rate was 0.88%. The leading cause of injury was traffic injuries in older children aged ≥8 years (56.5%), while falls at home were common among young children aged <8 years (43.9%). Compared with younger children, older children with similar ISS tended to receive more prehospital interventions. Uneven disease severity was found in that older children in lower-middle and upper-middle-income countries had higher ISS compared with those in high-income countries. The performance of prehospital interventions also differed among countries with different gross national incomes. Immobilizations were the most performed prehospital intervention followed by oxygen administration, airway management, and pain control; only one patient received prehospital thoracentesis. Procedures were performed more frequently in high-income countries than in upper-middle-income and lower-middle-income countries. CONCLUSIONS: The major cause of injury was road traffic injuries in older children, while falls at home were common among young children. Prehospital care in pediatric unintentional injuries in Asian countries was not standardized and might be insufficient, and the economic status of countries may affect the implementation of prehospital care.
Asunto(s)
Servicios Médicos de Urgencia , Heridas y Lesiones , Niño , Humanos , Adolescente , Preescolar , Estudios Retrospectivos , Estatus Económico , Asia/epidemiología , Evaluación de Resultado en la Atención de Salud , Heridas y Lesiones/epidemiología , Heridas y Lesiones/terapia , Puntaje de Gravedad del TraumatismoRESUMEN
OBJECTIVE: Little is known about survival outcomes after traumatic cardiac arrest in Asia, or the association of Utstein factors with survival after traumatic cardiac arrests. This study aimed to describe the epidemiology and outcomes of traumatic cardiac arrests in Asia, and analyze Utstein factors associated with survival. METHODS: Traumatic cardiac arrest patients from 13 countries in the Pan-Asian Resuscitation Outcomes Study registry from 2009 to 2018 were analyzed. Multilevel logistic regression was performed to identify factors associated with the primary outcomes of survival to hospital discharge and favorable neurological outcome (Cerebral Performance Category (CPC) 1-2), and the secondary outcome of return of spontaneous circulation (ROSC). RESULTS: There were 207,455 out-of-hospital cardiac arrest cases, of which 13,631 (6.6%) were trauma patients aged 18 years and above with resuscitation attempted and who had survival outcomes reported. The median age was 57 years (interquartile range 39-73), 23.0% received bystander cardiopulmonary resuscitation (CPR), 1750 (12.8%) had ROSC, 461 (3.4%) survived to discharge, and 131 (1.0%) had CPC 1-2. Factors associated with higher rates of survival to discharge and favorable neurological outcome were arrests witnessed by emergency medical services or private ambulances (survival to discharge adjusted odds ratio (aOR) = 2.95, 95% confidence interval (CI) = 1.99-4.38; CPC 1-2 aOR = 2.57, 95% CI = 1.25-5.27), bystander CPR (survival to discharge aOR = 2.16; 95% CI 1.71-2.72; CPC 1-2 aOR = 4.98, 95% CI = 3.27-7.57), and initial shockable rhythm (survival to discharge aOR = 12.00; 95% CI = 6.80-21.17; CPC 1-2 aOR = 33.28, 95% CI = 11.39-97.23) or initial pulseless electrical activity (survival to discharge aOR = 3.98; 95% CI = 2.99-5.30; CPC 1-2 aOR = 5.67, 95% CI = 3.05-10.53) relative to asystole. CONCLUSIONS: In traumatic cardiac arrest, early aggressive resuscitation may not be futile and bystander CPR may improve outcomes.
Asunto(s)
Reanimación Cardiopulmonar , Servicios Médicos de Urgencia , Paro Cardíaco Extrahospitalario , Humanos , Persona de Mediana Edad , Evaluación de Resultado en la Atención de Salud , Asia , Paro Cardíaco Extrahospitalario/epidemiología , Paro Cardíaco Extrahospitalario/terapia , Paro Cardíaco Extrahospitalario/complicacionesRESUMEN
Researchers investigated the modification of the LaAlO3/SrTiO3 interface with Au overlayers and nanoparticles, which led to the change of various physical properties. However, no research is available to elucidate insights into the interaction of Au with the LaAlO3/SrTiO3 substrate. Therefore, this study is devoted to solving the question using density functional theory calculations. We also studied the optical properties of the LaAlO3/SrTiO3 system before and after the Au adsorption. We found that an additional optical peak occurs with significant intensity in the wavelength region of 600 nm to 1200 nm depending on the LaAlO3 film thickness. This peak is attributed to the increase in the hole states in the presence of Au adsorption with the increase in the LaAlO3 film thickness.
RESUMEN
The detection of volatile organic compounds by gas sensors is of great interest for environmental quality monitoring and the early-stage and noninvasive diagnosis of diseases. Experiments found hexane, toluene, aniline, butanone, acetone, and propanol gases in the exhaled breath of patients suffering from COVID-19, lung cancer, and diabetes. However, no studies are available to systematically elucidate the selectivity of these gases on nanosheets of zinc oxide for chemiresistive and direct thermoelectric gas sensors. Therefore, this work performed the elucidation by studying the electronic, electrical, and thermal properties of the bilayered ZnO nanosheets with polar (0001) and non-polar (112Ì0) surfaces under the adsorption of the gases. The interaction between the gases and the nanosheets belongs to two groups: electrostatic attraction and charge exchange. The second one occurs due to the peak resonance of the same type of orbitals between the substrates and the gases along the surface normal and the first one for the other cases. The characteristics of the Seebeck coefficient exhibited distinct selectivity of butanone and acetone.