- Research Article
- 10.1016/j.comptc.2026.115739
Electronic and structural factors governing regio- and chemoselectivity in Rh(III)-catalyzed amidation reactions: A DFT study
- Jun 01, 2026
- Computational and Theoretical Chemistry
- Lizi Yang + 4 more +4
Publications from 2021 to 2026
Showing 10 of 160 papers
Electronic and structural factors governing regio- and chemoselectivity in Rh(III)-catalyzed amidation reactions: A DFT study
Biopolymer-Based Sustainable Asymmetric Fiber Membrane with Radiative Cooling and Heating for Thermal Management
Passive radiative cooling and heating technologies have garnered significant attention in both the academic and industrial communities as sustainable alternatives to conventional energy-intensive thermal management approaches. Significant advances have been achieved in textiles with dual passive radiative cooling and heating capabilities. However, current designs remain static in configuration, exhibiting inadequate adaptability to seasonal weather variations. Herein, we propose a dual-mode operational mechanism enabling all-day passive radiative cooling and heating. An asymmetric PLA/PBS/TiO2-MXene composite fiber membrane with dual-sided thermal management capabilities was fabricated via the integration of electrospun PLA/PBS/TiO2 fiber membrane and MXene coatings. A layered architecture was engineered to establish differential emissivity on opposing sides of a fiber membrane substrate, thereby enabling rapid switching between radiative cooling and heating functionalities. During outdoor thermal testing, the dual-sided fiber membrane demonstrated efficient passive radiative cooling and heating capabilities. The cooling side achieved temperature reductions of 4.1–10.0 °C, while the heating side attained temperature increases of 11.8–18.1 °C, under solar irradiance of 831.4–1057 W/m2. In addition, the asymmetric fiber membrane demonstrated decent chemical recyclability, providing a way for developing sustainable cooling/heating materials.
Read moreElectronics cooling and thermal management using phase change materials
The influence of recycled active magnesium oxide on the properties of magnesium oxychloride cement
Comment on egusphere-2025-4433
<strong class="journal-contentHeaderColor">Abstract.</strong> We provide best practices for estimating the dissipation rate of turbulent kinetic energy, ε, from velocity measurements in an oceanographic context. These recommendations were developed as part of the Scientific Committee on Oceanographic Research (SCOR) Working Group #160 "Analyzing ocean turbulence observations to quantify mixing". The recommendations here focus on velocity measurements that enable fitting the inertial subrange of wavenumber velocity spectra. The method examines the measurable range for this method of dissipation rates in the ocean, seas, and other natural waters. The recommendations are intended to be platform-independent since the velocities may be measured using bottom-mounted platforms, platforms mounted beneath the ice, or platforms directly on mooring lines once the data is motion-decontaminated. The procedure for preparing the data for spectral estimation is discussed in detail, along with the quality control metrics that should accompany each estimate of ε during data archiving. The methods are applied to four 'benchmark' datasets covering different flow regimes and two instrument types (acoustic-Doppler and time of travel). Problems associated with velocity data quality, such as phase-wrapping, spikes, measurement noise, and frame interference, are illustrated with examples drawn from the benchmarks. Difficulties in resolving and identifying the inertial subrange are also discussed, and recommendations on how these issues should be identified and flagged during data archiving are provided.
Read moreA Rural Health Model for Parkinson's Care: The Clients’ Perspective
Access to specialist Parkinson's disease (PD) services is limited in rural Australia. This study aimed to describe patient experiences of a novel health care model for PD introduced into a rural Australian health center. The program provided specialist PD services, which included a Parkinson's specialist nurse based at the center and a metropolitan-based Parkinson's specialist neurologist who used telehealth to consult remotely with the program's patients. Patient experiences of the program were captured using the Patient-Centered Questionnaire for PD. Scores included the overall patient-centered score (OPS, range 0-3), subscale experience scores (SES, range 0-3), and quality improvement scores (QIS, range 0-9). The mean (SD) OPS for 52 participants was 1.9 (0.5), a moderate patient-centeredness experience. Most subscale experiences were rated highly, including empathy and Parkinson's expertise (mean 2.4, SD 0.6) and accessibility of health care (mean 2.3, SD 0.8). Experience of provision of tailored information was poorly rated (mean 1.3, SD 0.6). Overall, patient needs were met by this program. Trialing the program at other rural health centers is now required.
Read moreCharacteristics of Children Aged 0 to 23 Months Hospitalized With Respiratory Syncytial Virus.
Respiratory syncytial virus (RSV) is a leading cause of hospitalization among young children. Nirsevimab is recommended for all infants younger than 8 months and children aged 8 to 19 months who are at increased risk of severe RSV entering their second RSV season. Additional data are necessary to identify children aged 8 to 19 months at increased risk for severe disease. The Respiratory Syncytial Virus Hospitalization Surveillance Network, a population-based surveillance system, captures laboratory-confirmed RSV-associated hospitalizations in 12 states. We compared demographics and clinical characteristics of children aged 0 to 23 months by age category, and of children aged 12 to 23 months by severity (not admitted to the intensive care unit [ICU], admitted to the ICU, or with prolonged [≥3days] ICU admission) during the 2022-2023 season using χ2 tests and logistic regression. Among 3659 randomly sampled hospitalized children in 2022-2023, 31.2%, 40.0%, and 28.9% were aged 0 to 2, 3 to 11, and 12 to 23 months, respectively. Compared with children aged 0 to 2 months, children 3 to 11 and 12 to 23 months were more likely to have at least 1 underlying medical condition (UMC) (3.4%, 12.6%, 23.4%, respectively; P < .05). Children aged 12 to 23 months with prolonged ICU admission were more likely to have airway abnormalities, cardiovascular disease (CVD), Down syndrome (with or without concomitant CVD), and feeding tube dependence than those without ICU admission (P < .05 for all). UMCs were more frequently identified among hospitalized children aged 12 to 23 months compared with children 0 to 2 months; prolonged ICU admission was associated with airway abnormalities, CVD, Down syndrome, and feeding tube dependence.
Read moreBiocultural evolution, narratives, and emerging cultures of sustainability
Biocultural evolution has created propensities that guide, largely unconsciously, how species think and behave. Human anthropocentrism leads to a lack of recognition of the propensities shared by Homo sapiens and other species. Human narratives and values reflect these propensities even as they also affect evolution and possible pathways of (un)sustainability for social-ecological systems (SES). Signals and narratives provide information and affective communication that simplify SES complexities and guide thought and behavior. This paper presents key propensities, signals, and a narrative typology to raise conscious awareness of their roles in shaping largely unconscious human priorities that emanate from biocultural evolution and that are unsuited to modern challenges. Four dimensions of values (i.e., experiential, utilitarian, communitarian, transcendental) are also considered, and the transcendental concept of a “realm of knowledge-ends” is presented. The concept posits that because of the cumulative knowledge that they represent, biological and cultural entities ought to be afforded worth and value as “ends-in-themselves”, transcending their immediate utilities. Local-to-regional-to-global approaches are mentioned that could help strive toward this goal and improve global SES sustainability. A case study from New Zealand illustrates how four foundational elements (biocultural propensities, signals, narratives, and values) in the conceptual framework presented by this paper can be used: (a) to enhance critical reflective thinking and analyze modern natural resources and environmental situations; and (b) to create and use records of engagement and decision-making for improved participatory processes and societal engagement. Paying attention to biocultural propensities, signals, narratives, and values can improve sustainability pathways.
Read morePositive Perceptions and Multifaceted Utility of Medicare's Chronic Care Management Program: Insights from an Elderly Rural Patient Population.
Burden of Respiratory Syncytial Virus–Associated Hospitalizations in US Adults, October 2016 to September 2023
Respiratory syncytial virus (RSV) infection can cause severe illness in adults. However, there is considerable uncertainty in the burden of RSV-associated hospitalizations among adults prior to RSV vaccine introduction. To describe the demographic characteristics of adults hospitalized with laboratory-confirmed RSV and to estimate annual rates and numbers of RSV-associated hospitalizations, intensive care unit (ICU) admissions, and in-hospital deaths. This cross-sectional study used data from the RSV Hospitalization Surveillance Network (RSV-NET), a population-based surveillance platform that captures RSV-associated hospitalizations in 58 counties in 12 states, covering approximately 8% of the US population. The study period spanned 7 surveillance seasons from 2016-2017 through 2022-2023. Included cases from RSV-NET were nonpregnant hospitalized adults aged 18 years or older residing in the surveillance catchment area and with a positive RSV test result. Laboratory-confirmed RSV-associated hospitalization, defined as a positive RSV test result within 14 days before or during hospitalization. Hospitalization rates per 100 000 adult population, stratified by age group. After adjusting for test sensitivity and undertesting for RSV in adults hospitalized with acute respiratory illnesses, rates were extrapolated to the US population to estimate annual numbers of RSV-associated hospitalizations. Clinical outcome data were used to estimate RSV-associated ICU admissions and in-hospital deaths. From the 2016 to 2017 through the 2022 to 2023 RSV seasons, there were 16 575 RSV-associated hospitalizations in adults (median [IQR] age, 70 [58-81] years; 9641 females [58.2%]). Excluding the 2020 to 2021 and the 2021 to 2022 seasons, when the COVID-19 pandemic affected RSV circulation, hospitalization rates ranged from 48.9 (95% CI, 33.4-91.5) per 100 000 adults in 2016 to 2017 to 76.2 (95% CI, 55.2-122.7) per 100 000 adults in 2017 to 2018. Rates were lowest among adults aged 18 to 49 years (8.6 [95% CI, 5.7-16.8] per 100 000 adults in 2016-2017 to 13.1 [95% CI, 11.0-16.1] per 100 000 adults in 2022-2023) and highest among adults 75 years or older (244.7 [95% CI, 207.9-297.3] per 100 000 adults in 2022-2023 to 411.4 [95% CI, 292.1-695.4] per 100 000 adults in 2017-2018). Annual hospitalization estimates ranged from 123 000 (95% CI, 84 000-230 000) in 2016 to 2017 to 193 000 (95% CI, 140 000-311 000) in 2017 to 2018. Annual ICU admission estimates ranged from 24 400 (95% CI, 16 700-44 800) to 34 900 (95% CI, 25 500-55 600) for the same seasons. Estimated annual in-hospital deaths ranged from 4680 (95% CI, 3570-6820) in 2018 to 2019 to 8620 (95% CI, 6220-14 090) in 2017 to 2018. Adults 75 years or older accounted for 45.6% (range, 43.1%-48.8%) of all RSV-associated hospitalizations, 38.6% (range, 36.7%-41.0%) of all ICU admissions, and 58.7% (range, 51.9%-67.1%) of all in-hospital deaths. In this cross-sectional study of adults hospitalized with RSV before the 2023 introduction of RSV vaccines, RSV was associated with substantial burden of hospitalizations, ICU admissions, and in-hospital deaths in adults, with the highest rates occurring in adults 75 years or older. Increasing RSV vaccination of older adults has the potential to reduce associated hospitalizations and severe clinical outcomes.
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