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1.
Proc Natl Acad Sci U S A ; 118(12)2021 03 23.
Article in English | MEDLINE | ID: mdl-33723038

ABSTRACT

The rise of antibiotic resistance calls for new therapeutics targeting resistance factors such as the New Delhi metallo-ß-lactamase 1 (NDM-1), a bacterial enzyme that degrades ß-lactam antibiotics. We present structure-guided computational methods for designing peptide macrocycles built from mixtures of l- and d-amino acids that are able to bind to and inhibit targets of therapeutic interest. Our methods explicitly consider the propensity of a peptide to favor a binding-competent conformation, which we found to predict rank order of experimentally observed IC50 values across seven designed NDM-1- inhibiting peptides. We were able to determine X-ray crystal structures of three of the designed inhibitors in complex with NDM-1, and in all three the conformation of the peptide is very close to the computationally designed model. In two of the three structures, the binding mode with NDM-1 is also very similar to the design model, while in the third, we observed an alternative binding mode likely arising from internal symmetry in the shape of the design combined with flexibility of the target. Although challenges remain in robustly predicting target backbone changes, binding mode, and the effects of mutations on binding affinity, our methods for designing ordered, binding-competent macrocycles should have broad applicability to a wide range of therapeutic targets.


Subject(s)
Drug Design , Models, Molecular , Peptides/chemistry , Peptides/pharmacology , beta-Lactamase Inhibitors/chemistry , beta-Lactamase Inhibitors/pharmacology , beta-Lactamases/chemistry , Binding Sites , Dose-Response Relationship, Drug , Enzyme Activation/drug effects , Molecular Conformation , Molecular Docking Simulation , Molecular Structure , Protein Binding , Structure-Activity Relationship
2.
Pediatr Emerg Care ; 40(5): 390-394, 2024 May 01.
Article in English | MEDLINE | ID: mdl-38459619

ABSTRACT

OBJECTIVES: Early wound management for pediatric patients with partial-thickness burns in the emergency department remains debatable. This study aims to evaluate the value of emergency conservative debridement under topical anesthesia in improving short-term prognosis of pediatric partial-thickness burns. METHODS: This retrospective cohort study enrolled children with partial-thickness thermal burns presenting to the emergency department within 6 hours postburn. All the enrolled patients were divided into 2 groups: the debridement group and the dressing group. The associations between emergency conservative debridement and time to reepithelialization was analyzed by using Kaplan-Meier curves with log rank test and multivariate Cox regression analysis. Moreover, the associations between emergency conservative debridement and in-hospital cost and length of stay were also evaluated. RESULTS: All baseline characteristics between groups were comparable (all P > 0.05). Emergency conservative debridement under topical anesthesia significantly decreased the median value of time to reepithelialization (13 vs 14 days, P = 0.02). Cox regression analysis showed that emergency conservative debridement significantly improved wound reepithelialization after adjusting for burn size (odds ratio, 4.07; 95% confidence interval, 1.64-10.11; P < 0.01). The mean length of stay of patients receiving conservative wound debridement was lower than that of patients in the wound dressing group (14.3 ± 7.3 vs 18.8 ± 10.4 days, P < 0.01), but not in terms of mean in-hospital cost per 1% total body surface area (2.8 ± 1.9 vs 3.0 ± 2.1 × 103 RMB per 1% total body surface area, P = 0.58). CONCLUSIONS: Emergency conservative debridement of pediatric partial-thickness burns under topical anesthesia significantly improves the wound healing outcomes without increasing health care burden.


Subject(s)
Anesthesia, Local , Burns , Debridement , Humans , Debridement/methods , Male , Retrospective Studies , Female , Burns/therapy , Child, Preschool , Prognosis , Infant , Child , Wound Healing , Length of Stay/statistics & numerical data , Bandages/economics , Emergency Service, Hospital , Conservative Treatment/methods , Treatment Outcome
3.
J Wound Care ; 32(Sup12): S4-S10, 2023 Dec 01.
Article in English | MEDLINE | ID: mdl-38063297

ABSTRACT

This study was designed to explore the epidemiological characteristics and potential preventive strategies of alcohol burns. In this five-year, retrospective study, 163 patients with alcohol burns (admitted from 1 January 2015 to 31 May 2020 were included. There was a male-to-female ratio of 1.1:1, a mean age of 34.1±16.8 years, and a mean burn size of 13.3±13.7% total body surface area (TBSA). The number of patients with alcohol burns was similar year by year during the five-year period. Just over half of patients (n=84, 51.5%) sustained a third-degree burn injury, which was significantly associated with a longer hospital stay and the need for surgery. The most prevalent aetiology was cupping (n=49, 29.5%), followed by cooking hotpot (n=37, 22.7%). Of the patients, seven (4.29%) sustained injuries during experiments at school and one patient sustained injury when using alcohol spray for disinfection against COVID-19. The incidence of facial burn injury (n=105, 64.4%) was significantly higher than previously reported data (33.2%). The result of the study showed that cupping and hotpot were the main causes of alcohol burns in Beijing, which should be taken into consideration for prevention. It is necessary to strengthen safety management of classes at school where experiments are undertaken and to educate the general public on the proper means of disinfecting against COVID-19.


Subject(s)
Burns , COVID-19 , Humans , Male , Female , Adolescent , Young Adult , Adult , Middle Aged , Burn Units , Retrospective Studies , Burns/epidemiology , Burns/etiology , Burns/therapy , Length of Stay , China/epidemiology
4.
Multivariate Behav Res ; 58(1): 115-132, 2023.
Article in English | MEDLINE | ID: mdl-34357822

ABSTRACT

The bifactor model is a promising alternative to traditional modeling techniques for studying the predictive validity of hierarchical constructs. However, no study to date has systematically examined the influence of cross-loadings on the estimation of regression coefficients in bifactor predictive models. Therefore, we present a systematic examination of the statistical performance of six modeling strategies to handle cross-loadings in bifactor predictive models: structural equation modeling (SEM), exploratory structural equation modeling (ESEM) with target rotation, Bayesian structural equation modeling (BSEM), and each of the three with augmentation. Results revealed four clear patterns: 1) forcing even small cross-loadings to zero was detrimental to empirical identification, estimation bias, power and Type I error rates; 2) the performance of ESEM with target rotation was unexpectedly weak; 3) augmented BSEM had satisfactory performance in an absolute sense and outperformed the other five strategies across most conditions; 4) augmentation improved the performance of ESEM and SEM, although the degree of improvement was not as substantial as that of BSEM. In addition, we also presented an empirical example to show the feasibility of the proposed approach. Overall, these findings can help users of bifactor predictive models design better studies, choose more appropriate analytical strategies, and obtain more reliable results. Implications, limitations, and future directions are discussed.


Subject(s)
Bayes Theorem , Factor Analysis, Statistical , Latent Class Analysis
5.
Int Wound J ; 20(6): 1911-1920, 2023 Aug.
Article in English | MEDLINE | ID: mdl-36575064

ABSTRACT

Pressure injury often seriously affects the life quality of aged patients, especially the long-term bedridden casualties. Widely adopted by different disciplines, negative pressure suction has its role in pressure injury. Microskin implantation has been demonstrated powerful in increasing the expansion ratio of donor area-derived skin and accelerating wound healing by forming "skin islands". The study was designed to evaluate the efficacy and safety of additional use of bedside microskin implantation in the palliative care of pressure injury of aged patients who cannot tolerate surgical treatment as a supplement for standard negative pressure suction. An open-label within-patient RCT was conducted in aged patients with pressure injury. Sixteen patients were enrolled. After granulation tissues formed, half of a pressure injury was randomised to receive the negative pressure suction as the control group, and the other half exposed to additional bedside microskin implantation as the experimental group. Efficacy was evaluated within 1 month after treatment, and the primary endpoints included the wound healing rate and pressure ulcer scale for healing (PUSH) scores. The secondary outcomes included survival rate of implanted microskin, pain intensity assessment, satisfaction surveys from patients or their family, and pressure ulcer healing complications. Sixteen patients completed the study. After 14 days of operation, 5.63 ± 1.78 out of 10 pieces of implanted microskin survived and formed neonatal epithelium. The wound healing rates of the control group and the experimental group at 1 month were (26.17 ± 9.03%) and (35.95 ± 16.02%), respectively (P < .01). The mean PUSH score before the surgery was 12.38 ± 2.23. At 1 month after surgery, the mean difference of PUSH score from baseline was 2.13 ± 0.96 in the control group and 2.81 ± 0.83 in the experimental group (P < .01). The treatment of microskin implantation did not cause additional pain or complications to the patients. Accompanied by a better ulcer status, the majority of patients or their guardians have a high degree of acceptance towards the microskin implantation. Bedside microskin implantation could accelerate wound healing with lower PUSH scores. As a complementary palliative treatment, supplementary microskin implantation is effective and well tolerated.


Subject(s)
Pressure Ulcer , Aged , Humans , Pressure Ulcer/surgery , Skin/injuries , Skin Transplantation , Transplantation, Autologous , Wound Healing
6.
Int Wound J ; 20(6): 2105-2112, 2023 Aug.
Article in English | MEDLINE | ID: mdl-36708278

ABSTRACT

This study was designed to analyse the characteristics and aetiology of low-temperature burns and explore the prevention and treatment strategies. In total, 206 patients hospitalised with low-temperature burns in a major burn center in Beijing from 2017 to 2021 were included. There were 35-49 cases per year, with an average of 41 ± 4.5 cases. The prevalence of low-temperature burns was higher in female than in male and are mainly resulted from two kinds of incidents: unintended burns from heat treatment (50.97%, 105/206) and improper use of heating devices to keep warm (43.69%, 90/206). Most cases occurred in autumn (33.01%, 68/206) and the least in spring (17.96%, 37/206); cases in summer (24.27%, 50/206) and winter (24.76%, 51/206) accounted for nearly a quadrant respectively. Low-temperature burns in summer were mainly unintended burns from heat treatment (80%, 40/50), whereas in autumn were mainly resulted from improper use of heating devices to keep warm (55.88%, 38/68), the difference was statistically significant (χ2  = 42.801, P < .001). Of all the cases, the burn size ranged from 0.2% to 5% TBSA, mostly less than 1% (85.92%, 177/206); third-degree burns accounted for 98.54% (203/206). Patients admitted after 3 weeks post-injury accounted for 42.23% (87/206). All patients were cured, and most of them were by surgeries (70.87%, 146/206). The results of the study show that low-temperature burn injury features a predictable morbidity among different seasons, a higher prevalence in adult women and a frequent occurrence at home. The wounds of low-temperature burns are often small in size but deep in depth, and can be easily misdiagnosed as superficial burns. However, most low-temperature burn wounds require surgical treatment. The study also suggests that based on the characteristics and aetiology of low-temperature burns, targeted prevention and treatment measures should be mapped out.


Subject(s)
Hospitalization , Soft Tissue Injuries , Adult , Humans , Male , Female , Beijing/epidemiology , Temperature , China/epidemiology , Prevalence , Burn Units , Retrospective Studies , Length of Stay
7.
Sensors (Basel) ; 22(23)2022 Dec 02.
Article in English | MEDLINE | ID: mdl-36502134

ABSTRACT

Big data already covers intelligent vehicles and is driving the autonomous driving industry's transformation. However, the large amounts of driving data generated will result in complex issues and a huge workload for the test and verification processes of an autonomous driving system. Only effective and precise data extraction and recording aimed at the challenges of low efficiency, poor quality, and a long-time limit for traditional data acquisition can substantially reduce the algorithm development cycle. Based on the premise of driver-dominated vehicle movement, the virtual decision-making of autonomous driving systems under the accompanying state was considered as a reference. Based on a dynamic time warping algorithm and forming a data filtering approach under a dynamic time window, an automatic trigger recording control model for human-vehicle difference feature data was suggested. In this method, the data dimension was minimized, and the efficiency of the data mining was improved. The experimental findings showed that the suggested model decreased recorded invalid data by 75.35% on average and saved about 2.65 TB of data storage space per hour. Compared with industrial-grade methods, it saves an average of 307 GB of storage space per hour.


Subject(s)
Algorithms , Intelligence , Humans , Data Mining , Big Data , Time Factors
8.
Int Wound J ; 19(7): 1853-1859, 2022 Nov.
Article in English | MEDLINE | ID: mdl-35706362

ABSTRACT

Platelets exert important roles in burn wound healing and involving in inflammatory regulation and tissue repair. Platelet distribution width (PDW) is an indicator representing platelet morphology and activation. In this study, we try to evaluate the value of PDW in predicting short-term prognosis and cost of paediatrics with partial-thickness thermal burns. This retrospective study enrolled 73 children with partial-thickness thermal burns. The Ability of PDW to predict wound healing was evaluated by receiver operating characteristic (ROC) curve. All 73 patients were assigned into high and low PDW group according to optimal cut-off value from ROC curve. Associations between PDW and 2-weeks healing rate, time to wound healing, in-hospital cost and length of stay were evaluated. Furthermore, Univariate and multivariate logistic regression analysis were used to furtherly evaluate the significance of PDW in wound healing. We found that all baseline characteristics between groups were comparable (all P > .05). High PDW group had a significant higher 2-weeks wound healing rate than those with a low PDW (66.7% versus 32.6%, P < .01). Moreover, the mean time to wound healing of high PDW was obviously shorter than that of low PDW group (15.4 ± 10.1 vs 20.7 ± 10.9, P = .04). Univariate (OR: 0.24, 95%CI: 0.09-0.65, P < .01) and multivariate (OR: 0.15, 95CI%:0.05-0.52, P < .01) analysis confirmed PDW as an independent marker for wound healing. Patients in high PDW group had a significant lower medical burden than low PDW group, including in-hospital cost (13.7 ± 10.6 vs 21.9 ± 16.7, ×103RMB, P = .02) and length of stay (12.2 ± 8.8 vs 19.0 ± 10.8 days, P < .01). In conclusion, PDW can sever as a potential indictor to predict the short-term prognosis of paediatrics with partial thickness thermal burns.


Subject(s)
Burns , Pediatrics , Humans , Child , Retrospective Studies , Prognosis , Blood Platelets , Burns/therapy
9.
Sensors (Basel) ; 21(3)2021 Jan 25.
Article in English | MEDLINE | ID: mdl-33504010

ABSTRACT

Brain-like intelligent decision-making is a prevailing trend in today's world. However, inspired by bionics and computer science, the linear neural network has become one of the main means to realize human-like decision-making and control. This paper proposes a method for classifying drivers' driving behaviors based on the fuzzy algorithm and establish a brain-inspired decision-making linear neural network. Firstly, different driver experimental data samples were obtained through the driving simulator. Then, an objective fuzzy classification algorithm was designed to distinguish different driving behaviors in terms of experimental data. In addition, a brain-inspired linear neural network was established to realize human-like decision-making and control. Finally, the accuracy of the proposed method was verified by training and testing. This study extracts the driving characteristics of drivers through driving simulator tests, which provides a driving behavior reference for the human-like decision-making of an intelligent vehicle.

10.
Ecotoxicol Environ Saf ; 185: 109662, 2019 Dec 15.
Article in English | MEDLINE | ID: mdl-31550568

ABSTRACT

Phenol, as a representative organic pollutant in aquatic environments, has posed a serious threat to humans and ecosystem. In this work, a novel integration system combined coal-based carbon membrane with sulfate radicals-based advanced oxidation processes (SR-AOPs) was designed for degradation of phenol. The integrated system achieved 100% removal efficiency under the optimal condition (peroxydisulfate dosage is 0.2 g/L, at alkaline condition with 2 mL/min flow velocity). The quenching experiments revealed that the efficient removal of phenol by the integrated system were attributed to the co-existence of radical and nonradical mechanisms. This study proposes a green and efficient technique for the removal of phenol.


Subject(s)
Carbon/chemistry , Membranes, Artificial , Phenol/analysis , Sulfates/chemistry , Water Pollutants, Chemical/analysis , Water Purification/methods , Coal , Ecosystem , Models, Theoretical , Oxidation-Reduction , Wastewater/chemistry
11.
Biophys J ; 109(8): 1698-705, 2015 Oct 20.
Article in English | MEDLINE | ID: mdl-26488661

ABSTRACT

Kinetic hydrate inhibitors (KHIs) are used commercially to inhibit gas hydrate formation and growth in pipelines. However, improvement of these polymers has been constrained by the lack of verified molecular models. Since antifreeze proteins (AFPs) act as KHIs, we have used their solved x-ray crystallographic structures in molecular modeling to explore gas hydrate inhibition. The internal clathrate water network of the fish AFP Maxi, which extends to the protein's outer surface, is remarkably similar to the {100} planes of structure type II (sII) gas hydrate. The crystal structure of this water web has facilitated the construction of in silico models for Maxi and type I AFP binding to sII hydrates. Here, we have substantiated our models with experimental evidence of Maxi binding to the tetrahydrofuran sII model hydrate. Both in silico and experimental evidence support the absorbance-inhibition mechanism proposed for KHI binding to gas hydrates. Based on the Maxi crystal structure we suggest that the inhibitor adsorbs to the gas hydrate lattice through the same anchored clathrate water mechanism used to bind ice. These results will facilitate the rational design of a next generation of effective green KHIs for the petroleum industry to ensure safe and efficient hydrocarbon flow.


Subject(s)
Antifreeze Proteins/chemistry , Furans/antagonists & inhibitors , Gases/antagonists & inhibitors , Animals , Fish Proteins/chemistry , Fishes , Furans/chemistry , Gases/chemistry , Molecular Dynamics Simulation , Protein Structure, Secondary , Water/chemistry
12.
Cytotherapy ; 16(2): 160-9, 2014 Feb.
Article in English | MEDLINE | ID: mdl-24438897

ABSTRACT

BACKGROUND AIMS: Tissue-engineered dermis (TED) is thought to be the best treatment for skin defect wounds; however, lack of vascular structures in these products can cause slow vascularization or even transplant failure. We assessed the therapeutic potential of microencapsulated human umbilical cord mesenchymal stromal cells (hUCMSCs) expressing vascular endothelial growth factor (VEGF) in vascularization of TED. METHODS: hUCMSCs were isolated by means of enzymatic digestion and identified by means of testing biological characteristics. hUCMSCs were induced to differentiate into dermal fibroblasts in conditioned induction media. Collagen-chitosan laser drilling acellular dermal matrix (ADM) composite scaffold was prepared by means of the freeze dehydration and dehydrothermal cross-linking method. hUCMSC-derived fibroblasts were implanted on composite scaffolds to construct TED. TED with microencapsulated VEGF gene-modified hUCMSCs was then transplanted into skin defect wounds in pigs. The angiogenesis of TED at 1 week and status of wound healing at 3 weeks were observed. RESULTS: The collagen-chitosan laser ADM composite has a uniform microporous structure. This composite has been used to grow hUCMSC-derived fibroblasts in vitro and to successfully construct stem cell-derived TED. Microencapsulated VEGF gene-modified hUCMSCs were prepared with the use of a sodium alginate-barium chloride one-step encapsulation technology. Seven days after the transplantation of the stem cell-derived TED and microencapsulated VEGF gene-modified hUCMSCs into the skin defect wounds on the backs of miniature pigs, the VEGF expression increased and the TED had a higher degree of vascularization. Re-epithelialization of the wound was completed after 3 weeks. CONCLUSIONS: Microencapsulated VEGF gene-modified hUCMSCs can effectively improve the vascularization of TED and consequently the quality of wound healing.


Subject(s)
Capsules/metabolism , Dermis/physiology , Fibroblasts/physiology , Induced Pluripotent Stem Cells/physiology , Mesenchymal Stem Cells/physiology , Skin Diseases/therapy , Skin Transplantation , Vascular Endothelial Growth Factor A/metabolism , Animals , Cells, Cultured , Chitosan/metabolism , Collagen/metabolism , Dermis/blood supply , Dermis/injuries , Extracellular Matrix/metabolism , Gene Transfer Techniques , Guided Tissue Regeneration , Heterografts , Humans , Mesenchymal Stem Cells/metabolism , Models, Animal , Neovascularization, Physiologic , Swine , Swine, Miniature , Tissue Engineering , Tissue Scaffolds/statistics & numerical data , Transgenes/genetics , Umbilical Cord/cytology , Vascular Endothelial Growth Factor A/genetics , Wound Healing
13.
Bioact Mater ; 35: 495-516, 2024 May.
Article in English | MEDLINE | ID: mdl-38404642

ABSTRACT

During skin aging, the degeneration of epidermal stem cells (EpiSCs) leads to diminished wound healing capabilities and epidermal disintegration. This study tackles this issue through a comprehensive analysis combining transcriptomics and untargeted metabolomics, revealing age-dependent alterations in the Gpx gene family and arachidonic acid (AA) metabolic networks, resulting in enhanced ferroptosis. Selenomethionine (Se-Met) could enhance GPX4 expression, thereby assisting EpiSCs in countering AA-induced mitochondrial damage and ferroptosis. Additionally, Se-Met demonstrates antioxidative characteristics and extensive ultraviolet absorption. For the sustained and controllable release of Se-Met, it was covalently grafted to UV-responsive GelMA hydrogels via AC-PEG-NHS tethers. The Se-Met@GelMA hydrogel effectively accelerated wound healing in a chronological aging mice model, by inhibiting lipid peroxidation and ferroptosis with augmented GPX4 expression. Moreover, in a photoaging model, this hydrogel significantly mitigated inflammatory responses, extracellular matrix remodeling, and ferroptosis in UV-exposed mice. These characteristics render Se-Met@GelMA hydrogel valuable in practical clinical applications.

14.
Biomed Pharmacother ; 174: 116611, 2024 May.
Article in English | MEDLINE | ID: mdl-38643540

ABSTRACT

BACKGROUND: The emergence of drug-resistant strains of Klebsiella pneumoniae (K. pneumoniae) has become a significant challenge in the field of infectious diseases, posing an urgent need for the development of highly protective vaccines against this pathogen. METHODS AND RESULTS: In this study, we identified three immunogenic extracellular loops based on the structure of five candidate antigens using sera from K. pneumoniae infected mice. The sequences of these loops were linked to the C-terminal of an alpha-hemolysin mutant (mHla) from Staphylococcus aureus to generate a heptamer, termed mHla-EpiVac. In vivo studies confirmed that fusion with mHla significantly augmented the immunogenicity of EpiVac, and it elicited both humoral and cellular immune responses in mice, which could be further enhanced by formulation with aluminum adjuvant. Furthermore, immunization with mHla-EpiVac demonstrated enhanced protective efficacy against K. pneumoniae channeling compared to EpiVac alone, resulting in reduced bacterial burden, secretion of inflammatory factors, histopathology and lung injury. Moreover, mHla fusion facilitated antigen uptake by mouse bone marrow-derived cells (BMDCs) and provided sustained activation of these cells. CONCLUSIONS: These findings suggest that mHla-EpiVac is a promising vaccine candidate against K. pneumoniae, and further validate the potential of mHla as a versatile carrier protein and adjuvant for antigen design.


Subject(s)
Bacterial Vaccines , Epitopes , Klebsiella Infections , Klebsiella pneumoniae , Animals , Klebsiella pneumoniae/immunology , Klebsiella Infections/prevention & control , Klebsiella Infections/immunology , Klebsiella Infections/microbiology , Bacterial Vaccines/immunology , Bacterial Vaccines/administration & dosage , Mice , Female , Epitopes/immunology , Mice, Inbred BALB C , Antigens, Bacterial/immunology , Lung/microbiology , Lung/immunology , Lung/pathology , Immunity, Cellular/drug effects , Staphylococcus aureus/immunology , Adjuvants, Immunologic/pharmacology , Immunity, Humoral/drug effects
15.
Chemosphere ; 321: 138160, 2023 Apr.
Article in English | MEDLINE | ID: mdl-36796522

ABSTRACT

Efficient CH4/N2 separation from unconventional natural gas is vital for both energy recycling and climate change control. Figuring out the reason for the disparity between ligands in the framework and CH4 is the crucial problem for developing adsorbents in PSA progress. In this study, a series of eco-friendly Al-based MOFs, including Al-CDC, Al-BDC, CAU-10, and MIL-160, were synthesized to investigate the influence of ligands on CH4 separation through experimental and theoretical analyses. The hydrothermal stability and water affinity of synthetic MOFs were explored through experimental characterization. The active adsorption sites and adsorption mechanisms were investigated via quantum calculation. The results manifested that the interactions between CH4 and MOFs materials were affected by the synergetic effects of pore structure and ligand polarities, and the disparities of ligands within MOFs determined the separation efficiency of CH4. Especially, the CH4 separation performance of Al-CDC with high sorbent selection (68.56), moderate isosteric adsorption heat for CH4 (26.3 kJ/mol), and low water affinity (0.1 g/g at 40% RH) was superior to most porous adsorbents, which was attributed to its nanosheet structure, proper polarity, reduced local steric hindrance, and extra functional groups. The analysis of active adsorption sites indicated that hydrophilic carboxyl groups and hydrophobic aromatic ring were the dominant CH4 adsorption sites for liner ligands and bent ligands, respectively. The methylene groups with saturated C-H bonds enhanced the wdV interaction between ligands and CH4, resulting in the highest binding energy of CH4 for Al-CDC. The results provided valuable guidance for the design and optimization of high-performance adsorbents for CH4 separation from unconventional natural gas.


Subject(s)
Metal-Organic Frameworks , Ligands , Natural Gas , Methane , Water
16.
Environ Sci Pollut Res Int ; 30(46): 102880-102893, 2023 Oct.
Article in English | MEDLINE | ID: mdl-37670093

ABSTRACT

The escalating levels of surface ozone concentration pose detrimental effects on public health and the environment. Catalytic decomposition presents an optimal solution for surface ozone removal. Nevertheless, catalyst still encounters challenges such as poisoning and deactivation in the high humidity environment. The influence of support on catalytic ozone decomposition was examined at a gas hourly space velocity of 300 L·g-1·h-1 and 85% relative humidity under ambient temperature using Cu-Mn-doped oxide catalysts synthesized via a straightforward coprecipitation method. Notably, the Cu-Mn/SiO2 catalyst exhibited remarkable performance on ozone decomposition, achieving 98% ozone conversion and stability for 10 h. Further characterization analysis indicated that the catalyst's enhanced water resistance and activity could be attributed to factors such as an increased number of active sites, a large surface area, abundant active oxygen species, and a lower Mn oxidation state. The catalytic environment created by mixed oxides can offer a clearer understanding of their synergistic effects on catalytic ozone decomposition, providing significant insights into the development of water-resistant catalysts with superior performance.

17.
J Intell ; 11(8)2023 Aug 14.
Article in English | MEDLINE | ID: mdl-37623546

ABSTRACT

Noncognitive constructs are commonly assessed in educational and organizational research. They are often measured by summing scores across items, which implicitly assumes a dominance item response process. However, research has shown that the unfolding response process may better characterize how people respond to noncognitive items. The Generalized Graded Unfolding Model (GGUM) representing the unfolding response process has therefore become increasingly popular. However, the current implementation of the GGUM is limited to unidimensional cases, while most noncognitive constructs are multidimensional. Fitting a unidimensional GGUM separately for each dimension and ignoring the multidimensional nature of noncognitive data may result in suboptimal parameter estimation. Recently, an R package bmggum was developed that enables the estimation of the Multidimensional Generalized Graded Unfolding Model (MGGUM) with covariates using a Bayesian algorithm. However, no simulation evidence is available to support the accuracy of the Bayesian algorithm implemented in bmggum. In this research, two simulation studies were conducted to examine the performance of bmggum. Results showed that bmggum can estimate MGGUM parameters accurately, and that multidimensional estimation and incorporating relevant covariates into the estimation process improved estimation accuracy. The effectiveness of two Bayesian model selection indices, WAIC and LOO, were also investigated and found to be satisfactory for model selection. Empirical data were used to demonstrate the use of bmggum and its performance was compared with three other GGUM software programs: GGUM2004, GGUM, and mirt.

18.
J Appl Psychol ; 108(8): 1277-1299, 2023 Aug.
Article in English | MEDLINE | ID: mdl-36745068

ABSTRACT

The present study explores the plausibility of measuring personality indirectly through an artificial intelligence (AI) chatbot. This chatbot mines various textual features from users' free text responses collected during an online conversation/interview and then uses machine learning algorithms to infer personality scores. We comprehensively examine the psychometric properties of the machine-inferred personality scores, including reliability (internal consistency, split-half, and test-retest), factorial validity, convergent and discriminant validity, and criterion-related validity. Participants were undergraduate students (n = 1,444) enrolled in a large southeastern public university in the United States who completed a self-report Big Five personality measure (IPIP-300) and engaged with an AI chatbot for approximately 20-30 min. In a subsample (n = 407), we obtained participants' cumulative grade point averages from the University Registrar and had their peers rate their college adjustment. In an additional sample (n = 61), we obtained test-retest data. Results indicated that machine-inferred personality scores (a) had overall acceptable reliability at both the domain and facet levels, (b) yielded a comparable factor structure to self-reported questionnaire-derived personality scores, (c) displayed good convergent validity but relatively poor discriminant validity (averaged convergent correlations = .48 vs. averaged machine-score correlations = .35 in the test sample), (d) showed low criterion-related validity, and (e) exhibited incremental validity over self-reported questionnaire-derived personality scores in some analyses. In addition, there was strong evidence for cross-sample generalizability of psychometric properties of machine scores. Theoretical implications, future research directions, and practical considerations are discussed. (PsycInfo Database Record (c) 2023 APA, all rights reserved).


Subject(s)
Artificial Intelligence , Personality Disorders , Humans , Psychometrics , Reproducibility of Results , Personality
20.
Surgery ; 173(6): 1513-1517, 2023 06.
Article in English | MEDLINE | ID: mdl-37032269

ABSTRACT

OBJECTIVE: To introduce an innovative elastic compression hemostasis technique for extremity excision in extensively burnt patients and investigate its effectiveness. METHODS: Ten patients were included and divided into 2 groups: the control group (4 patients, 12 extremities) receiving the conventional hemostasis technique and the experimental group (6 patients, 14 extremities) receiving the innovative technique. General data of the patients were collected, excision size measured, hemostasis time recorded, average blood loss per 1% total body surface area of the excised wound calculated, incidence of subcutaneous hematoma and take rate determined. RESULTS: The 2 groups had no statistical difference in the baseline data. Average blood loss per 1% total body surface area of the excised wound in the upper and the lower extremities was (62.1 ± 11.5) mL and (35.6 ± 11.0) mL in the experimental group, significantly less than (94.3 ± 6.9) mL and (82.3 ± 6.2) mL in the control group; a reduction of 34.1% and 56.8% respectively. Hemostasis time in the upper and the lower extremities were (5.0 ± 0.7) min/1% total body surface area and (2.6 ± 0.3) min/1% total body surface area, respectively, in the experimental group, significantly less than (7.4 ± 0.6) min/1% total body surface area and (4.0 ± 0.9) min/1% total body surface area in the control group; a reduction of 31.8% and 34.9% respectively. The incidences of subcutaneous hematoma were 7.1% and 8.3%, and the take rate (85.9 ± 6.0)% and (86.5 ± 4.8)% in the experimental and the control group, respectively, with no statistically significant differences. CONCLUSION: The innovative elastic compression hemostasis technique is a reliable new method that significantly reduces blood loss during extremity excision in patients with extensive burns and is worth wider understanding and application.


Subject(s)
Burns , Hemostasis , Humans , Prospective Studies , Burns/surgery , Hematoma , Lower Extremity/surgery , Treatment Outcome
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