Large Changes Research Articles

Informatics assessment of COVID-19 data collection: an analysis of UK Biobank questionnaire data

BackgroundThere have been many efforts to expand existing data collection initiatives to include COVID-19 related data. One program that expanded is UK Biobank, a large-scale research and biomedical data collection resource that added several COVID-19 related data fields including questionnaires (exposures and symptoms), viral testing, and serological data. This study aimed to analyze this COVID-19 data to understand how COVID-19 data was collected and how it can be used to attribute COVID-19 and analyze differences in cohorts and time periods.MethodsA cohort of COVID-19 infected individuals was defined from the UK Biobank population using viral testing, diagnosis, and self-reported data. Changes over time, from March 2020 to October 2021, in total case counts and changes in case counts by identification source (diagnosis from EHR, measurement from viral testing and self-reported from questionnaire) were also analyzed. For the questionnaires, an analysis of the structure and dynamics of the questionnaires was done which included the amount and type of questions asked, how often and how many individuals answered the questions and what responses were given. In addition, the amount of individuals who provided responses regarding different time segments covered by the questionnaire was calculated along with how often responses changed. The analysis included changes in population level responses over time. The analyses were repeated for COVID and non-COVID individuals and compared responses.ResultsThere were 62 042 distinct participants who had COVID-19, with 49 120 identified through diagnosis, 30 553 identified through viral testing and 934 identified through self-reporting, with many identified in multiple methods. This included vast changes in overall cases and distribution of case data source over time. 6 899 of 9 952 participants completing the exposure questionnaire responded regarding every time period covered by the questionnaire including large changes in response over time. The most common change came for employment situation, which was changed by 74.78% of individuals from the first to last time of asking. On a population level, there were changes as face mask usage increased each successive time period. There were decreases in nearly every COVID-19 symptom from the first to the second questionnaire. When comparing COVID to non-COVID participants, COVID participants were more commonly keyworkers (COVID: 33.76%, non-COVID: 15.00%) and more often lived with young people attending school (61.70%, 45.32%).ConclusionTo develop a robust cohort of COVID-19 participants from the UK Biobank population, multiple types of data were needed. The differences based on time and exposures show the important of comprehensive data capture and the utility of COVID-19 related questionnaire data.

Improvement of multiscale decomposition for space-based gravitational wave signal processing technology.

During the process of detecting gravitational waves in space, addressing noise issues caused by terrestrial vibrations, natural environmental changes, and the factors intrinsic to the detectors, this paper proposes a multiscale variational mode adaptive denoising algorithm based on momentum gradient descent. This algorithm integrates momentum factors and multiscale concepts into the variational mode algorithm to resolve the issue of multiple local optima encountered during operation, reduce oscillations in regions with large or unstable gradient changes, and improve convergence speed. Additionally, the algorithm combines the least mean squares algorithm to automatically adjust weights, thereby mitigating the impact of noise, addressing the issue of noise from multiple and random sources, effectively suppressing noise in the gravitational wave signal, and enhancing the quality and reliability of the gravitational wave signal. Experimental results demonstrate that this algorithm performs better than other algorithms in noise suppression, effectively reducing noise in gravitational wave signals and meeting the noise suppression requirements for space-based gravitational wave detection.

Shift in distribution of division of labour in chronically stressed honeybee colonies after perturbation.

Division of labour (DOL) in eusocial insects plays an important role in colony fitness. Honeybees face a variety of stressors that compromise the homeostasis of the colony and reduce survival and reproduction. Considering the significance of DOL in colony homeostasis, it is important to understand whether and how DOL may be altered as a result of chronic stress. Therefore, we tested whether honeybee colonies shift DOL in response to high infestation with the parasitic mite Varroa destructor. For this, we monitored chronically stressed and presumably low-stress colonies from April till December 2022. During the experiment, we applied a cold shock to test whether a perturbation resulted in a larger alteration in DOL in chronically stressed colonies. We found that after cold shock, there was a lower proportion of nurses in the chronically stressed colonies. For foragers, we found higher activity post-cold shock in chronically stressed colonies, but no difference between treatments in nectar inflow, suggesting less efficient foragers. Furthermore, we found that there was an accelerated task switch in chronically stressed colonies after the cold shock. The large changes after the perturbation may indicate inefficient task allocation due to chronic stress. Our study contributes to the understanding of social resilience and chronic stress responses in eusocial animals.

Enhancing the load cycling rate of subcritical coal-fired power plants: A novel control strategy based on data-driven feedwater active regulation

To accommodate high penetration of renewable power, coal-fired power plants should have high operational flexibility. However, the load cycling rate of subcritical power plants is insufficient, because conventional control strategies cannot perform well when subcritical power plants that have large thermal inertia change load with high rates. To address this issue, a novel control strategy based on idea of data-driven feedwater active regulation was proposed. To evaluate the control performance, dynamic modeling on a reference 330 MW subcritical unit was conducted, and performance indicators including load cycling performance indicator Kp, parameters cumulative deviation, and transient process average coal consumption rate were defined. Results reveal that key factor restricting load cycling rate is the exceeding of key parameters deviations. During 50%–75 % loading up process, the novel control strategy can increase ramp rate by 1.0 % Pe/min, increase Kp by 101.7 %, and reduce parameters cumulative deviations by 58.0 % at maximum and 20.3 % on average. Meanwhile, during 75%–50 % loading down process, the novel control strategy can increase ramp rate by 1.0 % Pe/min, increase Kp by 39.9 %, and reduce parameters cumulative deviations by 32.0 % at maximum and 19.1 % on average. These results demonstrate that feedwater active regulation effectively suppresses the control deviation of key parameters.

Molecular Evidence for Altered Angiogenesis in Neuroinflammation-Associated Schizophrenia and Bipolar Disorder Implicate an Abnormal Midbrain Blood-Brain Barrier.

Angiogenesis triggered by inflammation increases BBB permeability and facilitates macrophage transmigration. In the midbrain, we have discovered molecular alterations related to the blood-brain barrier (BBB), including endothelial cell changes associated with macrophage diapedesis, in neuroinflammatory schizophrenia and bipolar disorder, but changes in angiogenesis are yet to be reported. Hypothesis: We expected to discover molecular evidence of altered angiogenesis in the midbrain in individuals with schizophrenia and bipolar disorder compared to controls, with these changes more evident in "high" inflammation schizophrenia as compared to "low" inflammation. In a case-control post-mortem cohort including schizophrenia (n = 35), bipolar disorder (n = 35), and controls (n = 33), we measured mRNA (RT-PCR) and protein (multiplex immunoassays) and performed immunohistochemistry to determine levels and anatomical distribution of angiogenesis-related molecules in the ventral midbrain. We found large changes in angiogenesis factors in bipolar disorder high inflammatory subgroup (increased angiopoietin-2 and SERPINE1 mRNAs, but decreased angiopoietin-1, angiopoietin-2, andTEK receptor proteins). In schizophreniahigh inflammatory subgroup, we found a robust increase in SERPINE1 mRNA and protein levels. However, we found no significant changes in angiopoietins in schizophrenia. We found that VEGFA mRNA level was increased in high inflammation schizophrenia, but only reached statistical significance compared to one low inflammatory subgroup. Thus, angiogenesis signaling pathways appeared to be involved in the BBB alterations when inflammation is also present in the midbrain of schizophrenia and bipolar disorder, with increased levels of SERPINE1 in schizophrenia high inflammatory subgroup and with a putative suppression of angiopoietin signaling in bipolar disorder high inflammatory subgroup.

State Full Practice Authority Regulations and Nurse Practitioner Practice Autonomy: Evidence From the 2018 National Sample Survey of Registered Nurses.

State full practice authority (FPA) laws are designed to permit NPs to practice autonomously from physicians. Little is known regarding how FPA laws affect NPs' practice autonomy in daily practice. This study used nationwide survey data from 20,830 NPs to estimate how NPs' practice autonomy differs between NPs in FPA and non-FPA states. NPs in states with FPA laws were more than twice as likely as NPs in non-FPA states to practice in clinic settings with no onsite physicians and were twice as likely to not have a physician collaborator. Associations between FPA laws and four other indicators of practice autonomy were positive but smaller in magnitude. States with FPA laws more than 10 years experienced larger changes in nurse practitioner (NP) autonomy compared with states with FPA laws in effect less than 10 years. FPA laws may promote the development of autonomous NP practice sites, thereby expanding access in underserved populations.

Digital Light Process 3D Printing of Magnetically Aligned Liquid Crystalline Elastomer Free-forms.

Liquid crystalline elastomers (LCEs) are anisotropic soft materials capable of large dimensional changes when subjected to a stimulus. The magnitude and directionality of the stimuli-induced thermomechanical response is associated with the alignment of the LCE. Recent reports detail the preparation of LCEs by additive manufacturing (AM) techniques, predominately using direct ink write printing. Another AM technique, digital light process (DLP) 3D printing, has generated significant interest as it affords LCE free-forms with high fidelity and resolution. However, one challenge of printing LCEs using vat polymerization methods such as DLP is enforcing alignment. Here, we document the preparation of aligned, main-chain LCEs via DLP 3D printing using a 100 mT magnetic field. Systematic examination isolates the contribution of magnetic field strength, alignment time, and build layer thickness on the degree of orientation in 3D printed LCEs. Informed by this fundamental understanding, DLP is used to print complex LCE free-forms with through-thickness variation in both spatial orientations. The hierarchical variation in spatial orientation within LCE free-forms is used to produce objects that exhibit mechanical instabilities upon heating. DLP printing of aligned LCEs opens new opportunities to fabricate stimuli-responsive materials in form factors optimized for functional use in soft robotics and energy absorption.

Residual Ferromagnetic Regions Affecting the First-Order Phase Transition in Off-Stoichiometric Fe-Rh.

Among the magnetocaloric materials featuring first-order phase transitions (FOPT), FeRh is considered as a reference system to study the FOPT because it is a "simple" binary system with a CsCl structure exhibiting a large adiabatic temperature change. Recently, ab initio theory predicted that changes in the Fe/Rh stoichiometry in the vicinity of equiatomic composition strongly influence the FOPT characteristics. However, this theoretical prediction was not clearly verified experimentally. Here, we investigated the composition dependence of the transitional hysteresis in FeRh. It is shown that a Fe excess of only 1 at. % induces a ferromagnetic state in the whole temperature range (from 5 K up to Tc) for a minor portion of the sample (≈10%), while 5 at. % is enough to completely eliminate the FOPT. Element-specific X-ray magnetic circular dichroism (XMCD) measurements suggest that this ferromagnetic contribution arises from residual FeRh ferromagnetic regions. We attribute the formation of such domains to Fe antisite defects, as Mössbauer spectroscopy demonstrates the presence of Fe atoms located at the 1b (Rh) sites in the CsCl-type structure. As a consequence, compared with the equiatomic composition, the slightly Fe-rich sample exhibits completely different FOPT properties, influencing the magnetocaloric performances. Thus, our study sheds light on the origin of the remarkable stoichiometric sensitivity of the FOPT behavior in FeRh. These insights have broader implications for understanding FOPT dynamics and the role of residual ferromagnetic domains.

Key requirements for achieving EU-wide programme change

Abstract Issue Across the world, thousands of projects aim for equitable improvement in health for people who are experiencing ongoing avoidable stigma, discrimination and disadvantage however very little change is often achieved. Description of the problem In this presentation we explore key requirements for project-level change to ensure EU-wide programme change is achieved. Results The two most common causes of project failure are a) the innovation is not suitable, needed or wanted (also called theory failure) or b) implementation failure. This presentation shares strategies to mitigate risks of project failure through co-design processes and communication, drawing from 30 years of experience from the entire implementation process from ideation to scale up. These experiences include projects from over 30 countries, including partnerships with the World Health Organization, governments and industry focused on health literacy, self-management, care pathways, workplace health, hospital services redesign, First Nations health and migrant health. Common success factors include balancing top-down needs with co-designed inputs and with previous preferred or good practice (which may have come from controlled trial evidence generated in different contexts). The intervention must co-implemented to serve stakeholder’s needs at all levels, from citizens to decision makers. Lessons The United Nations (UN) and private sector apply system-wide approaches to affect large scale change. This knowledge is valuable for large public health programmes aiming to integrate equity and diversity in project processes to minimize implementation failure.

Optimizing Room‐Temperature Thermoelectric and Magnetocaloric Performance via Constructing Multi‐Scale Interfacial Phases in LaFeSi/BiSbTe Thermo‐Electro‐Magnetic Refrigeration Materials

AbstractFabricating a thermo‐electro‐magnetic material that exhibits simultaneously excellent magnetocaloric (MC) and thermoelectric (TE) performance is challenging since the interfacial reaction causes severe deterioration of MC and TE performance. In this work, a construction of multi‐scale interfaces in LaFe10.4Co0.8Si1.8/Bi0.5Sb1.5Te3 (LFS/BST) composites is realized by adopting a low‐temperature high‐pressure sintering strategy. It is revealed in the atomic‐scale that the interfacial reaction between LFS and BST leads to the formation of (Fe,Co)(Sb,Te)2 micro‐grains and LaTe2 nano‐grains, and the latter form low‐mismatch phase boundaries with LFS matrix. Benefiting from the multi‐scale interfacial phases, excellent MC performance of LFS is preserved alongside a minor impact on TE properties, e.g., a peak zT of 1.04 and a small decrease of 3.0% in relative cooling power are achieved in the 2%LFS/BST composite. Compared with other thermo‐electro‐magnetic materials, a good trade‐off between MC and TE performance is realized in LFS/BST composites with simultaneously high MC and TE performance. The 20%LFS/BST composite exhibits a room‐temperature zT of 0.46 with large maximum magnetic entropy change and relative cooling power of 0.81 J kg−1 K−1 and 44.83 J kg−1, respectively. This work provides an effective material design for developing the all‐solid‐state MC/TE hybrid refrigeration technique.

The feasibility of double stent strategy in left main true bifurcation with small and large angle change between diastole and systole: The Milan and New-Tokyo (MITO) registry.

Provisional single stenting strategy (PSS) is a default strategy for percutaneous coronary intervention (PCI) of unprotected left main distal bifurcation lesions (ULMD). Previous study reported that a bifurcation angle change (BAC) between end diastole and systole was associated with outcomes after PCI with double stent strategy (DSS) for ULMD. However, there are no data comparing outcomes after PCI with PSS versus DSS according the degree of BAC. We evaluated outcomes after PCI with PSS versus DSS for true ULMD with small and large BAC. We identified 566 patients with true ULMD underwent PCI in three high-volume centers. We calculated the BAC in ULMD between end-diastole and systole before stenting with 2-dimensional quantitative coronary angiographic assessment. We defined small (BAC < 7.0°) and large BAC (≥7.0°) group. We compared clinical outcomes after PCI with PSS versus DSS in each cohort after propensity score adjustment. The primary endpoint was target-lesion failure (TLF), which was defined as a composite of cardiac death, target lesion revascularization, and myocardial infarction. In small BAC cohort, TLF rate was significantly lower in DSS group than in PSS group (12.5% vs. 20.1%, adjusted HR 0.45; 95% CI, 0.26-0.79; p = 0.006). In contrast, in large BAC cohort, TLF rate was significantly higher in DSS group than in PSS group (54.9% vs. 29.0%, adjusted HR 2.25; 95% CI, 1.50-3.38; p < 0.001). The TLF rate after PCI with DSS was significantly lower in true ULMD with small BAC compared to PSS even after propensity score adjustment. In contrast, it was significantly higher in those with large BAC.

Synthesis and Characterization of TiO2 Thin Films Modified with Anderson-Type Polyoxometalates (Ni, Co, and Fe)

In this work, TiO2 and Anderson-type polyoxometalates (Ni, Co, and Fe) thin-film composites were fabricated. The composites were characterized by FTIR and Raman spectroscopy, diffuse reflectance, and scanning electronic microscopy. The methylene blue (MB) photocatalytic degradation on the composites under UV irradiation was studied. Spectroscopic results verified the modification of TiO2 thin films. Optical and morphological properties changed after TiO2 modification. The largest change in the optical band gap was observed for the FePOM/TiO2 system, which reported a value of 3.05 eV. The POM/TiO2 systems were more efficient in methylene blue (MB) adsorption than bare TiO2. Furthermore, the modified films were more efficient than bare TiO2 during MB photodegradation tests. The NiPOM/TiO2 and the CoPOM/TiO2 were the most efficient in the MB adsorption, reaching ~20%. The NiPOM/TiO2 and the CoPOM/TiO2 composites were the most efficient in the photodegradation process, reaching ~50% of MB removal. The stability tests indicated that composite films were moderately stable after the three performed reusability cycles. Thus, these results suggest that POM modification of TiO2 can improve the adsorption and photodegradation capacity of semiconductors.

Proton Intercalation into an Open‐Tunnel Bronze Phase with Near‐Zero Volume Change

AbstractManaging safety and supply‐chain risks associated with lithium‐ion batteries (LIBs) is an urgent task for sustainable development. Aqueous proton batteries are attractive alternatives to LIBs because using water and protons addresses these two risks. However, most host materials undergo large volume changes upon H+ intercalation, which induces intraparticle cracking to accelerates parasitic reactions. Herein, we report that Mo3Nb2O14 bronze exhibits reversible H+ intercalation (200 mAh g−1) with a Coulombic efficiency of 99.7 % owing to near‐zero volume change and solid‐solution‐type phase transition. Combination of experimental and theoretical analyses clarifies that rotation and shrinkage of open tunnels, which consist of flexible corner‐sharing Mo/NbOn polyhedra, relieve local structural distortions upon H+ intercalation to suppress intraparticle cracking. The prototype full cell of an aqueous proton battery with a Mo3Nb2O14 anode operates stably over 1000 charge/discharge cycles. This study reveals the importance of implementing distortion‐relieving voids in host materials to reduce volume change upon charge/discharge.

The Influence of Eccentric Muscle Actions on Concentric Muscle Strength: An Exception to the Principle of Specificity?

The principle of specificity suggests that the largest changes in strength occur when training resembles the specific strength test. A one-repetition maximum (1RM) test, which tests the maximal concentric strength, is commonly used as a surrogate for strength adaptation. When separating muscle actions into concentric or eccentric phases, multiple lines of evidence suggest that eccentric muscle actions possess several distinct physiological properties compared with concentric actions. In accordance, there are instances where the increases in 1RM strength test were similar between eccentric-only and concentric-only resistance training. This is at odds with the principle of specificity which suggests that individuals who trained with concentric actions would be expected to have an advantage in that specific task. Although the mechanistic reasons why eccentric-biased training carries over to maximal concentric strength remains to be elucidated, the lack of discernible differences in strength gains with eccentrically-biased training (e.g., eccentric-only and accentuated eccentric training) may imply that the effects of eccentric loading in training are transferable to concentric strength. Our review revisits the role of eccentric loading in enhancing concentric maximal muscle strength. We also speculate on potential physiological factors (i.e., molecular and neural factors) that may differentiate the effects of eccentric and concentric resistance training on the changes in muscle strength. Currently, the majority of the studies investigating the changes in strength have been conducted using isokinetic eccentric training. This is important as there is a viewpoint that the magnitude of chronic adaptations with different modalities of eccentric exercises (i.e., isotonic, isokinetic, and isoinertial training) may also differ from each other. While it has been suggested that eccentric action has a greater transferable capacity for strength adaptations compared to concentric actions, future investigations are warranted to investigate with different modalities of eccentric exercises. There also remains a host of unanswered questions related to the role of eccentric action for maximal concentric strength. For example, future studies may examine whether the eccentric action would be additive when the training is already maximally loaded during the concentric action for increasing concentric maximal strength. We suggested a few different designs that could be used to answer some of these questions in future studies.

Rapid shear zone weakening during subduction initiation

Subduction zones play a pivotal role in the mechanics of plate tectonics by providing the driving force through slab pull and weak megathrusts that facilitate the relative motion between tectonic plates. The initiation of subduction zones is intricately linked to the accumulation of slab pull and development of weakness at plate boundaries and, by consequence, the largest changes in the energetics of mantle convection. However, the transient nature of subduction initiation accompanied by intense subsequent tectonic activity, leaves critical evidence poorly preserved and making subduction initiation difficult to constrain. We overcome these limitations through a comprehensive analysis focused on Puysegur, a well-constrained extant example of subduction initiation offshore South Island, New Zealand. Through time-dependent, three-dimensional thermo-mechanical computations and quantitative comparison to new geophysical and geological observations, including topography, stratigraphy, and seismicity, we demonstrate that subduction initiation develops with a fast strain weakening described with a small characteristic displacement ([Formula: see text] 4 to 8 km). Potential physical mechanisms contributing to the strain weakening are explored and we find that the observed fast weakening may arise through a combination of grain-size reduction within the lower lithosphere and fluid pressurization at shallower depths. With the shared commonality in the underlying physics of tectonic processes, the rapid strain weakening constrained at Puysegur offers insights into the formation of the first subduction during early Earth and the onset of plate tectonics.

Coordination Regulation Strategy in Fabricating Bi2S3@CNFs Composites with Uniform Dispersion for Robust Sodium Storage.

To solve large volume change and low conductivity of Bi2S3-based anodes, a coordination regulation strategy is proposed to prepare Bi2S3 nanoparticles dispersed in carbon fiber (Bi2S3@CNF) composites. It has been discovered that introducing trimesic acid as a ligand can significantly improve the loading and dispersion of Bi3+ in polyacrylonitrile fibers. The results exhibit that Bi2S3 nanoparticles of 200-300 nm are uniformly anchored on the superficial surface layer of CNFs, and Bi2S3 nanoparticles of about 20 nm are evenly dispersed in the interior of CNFs. Assessed as sodium-ion batteries' anode material, the discharge capacity of the Bi2S3@CNF anode in the second cycle is 669.3 mAh g-1 at 0.1 A g-1 and still retains 620.2 mAh g-1 after 100 cycles, with the capacity retention rate of 92.7%. Even at 0.5 A g-1, the specific capacity of the second cycle is 432.99 mAh g-1, which still keeps 400.9 mAh g-1 after 800 cycles, with a retention rate of 92.5%. The excellent cycle stability is mainly attributed to the uniform distribution of small Bi2S3 nanoparticles in CNFs providing abundant active sites, preventing side reactions, relieving volume expansion, improving the electrical conductivity, and accelerating the electrochemical reaction kinetics.

Proton Intercalation into an Open-Tunnel Bronze Phase with Near-Zero Volume Change.

Managing safety and supply-chain risks associated with lithium-ion batteries (LIBs) is an urgent task for sustainable development. Aqueous proton batteries are attractive alternatives to LIBs because using water and protons addresses these two risks. However, most host materials undergo large volume changes upon H+ intercalation, which induces intraparticle cracking to accelerates parasitic reactions. Herein, we report that Mo3Nb2O14 bronze exhibits reversible H+ intercalation (200 mAh g-1) with a Coulombic efficiency of 99.7 % owing to near-zero volume change and solid-solution-type phase transition. Combination of experimental and theoretical analyses clarifies that rotation and shrinkage of open tunnels, which consist of flexible corner-sharing Mo/NbOn polyhedra, relieve local structural distortions upon H+ intercalation to suppress intraparticle cracking. The prototype full cell of an aqueous proton battery with a Mo3Nb2O14 anode operates stably over 1000 charge/discharge cycles. This study reveals the importance of implementing distortion-relieving voids in host materials to reduce volume change upon charge/discharge.

Recent Progress in Liquid Electrolytes for High‐Energy Lithium–Metal Batteries: From Molecular Engineering to Applications

AbstractLithium–metal batteries (LMBs) have garnered significant interests for their promising high gravimetric energy density (Eg) ∼ 750 Wh kg−1. However, the practical application of the LMBs is plagued by the high reactivity and large volume change during charging–discharging of the lithium–metal anode (LMA), seriously deteriorating the battery safety and cycle life. Great efforts have been devoted to tailoring the electrolytes to favor the Li–metal electroplating by uniformizing the deposition morphology and by suppressing the side reactions between electrolytes and LMA. The aggressive chemistries of both the LMA and its high‐voltage counterpart give new electrolyte components more opportunities, especially designing via molecular engineering. Here, a comprehensive and in‐depth overview of the scientific challenges, fundamental mechanisms, and particularly historical strategies of designing new molecules for electrolyte components including solvents, salts, and additives. Their important roles in tuning the Li+ solvation structure, interface composition, decomposition pathways, and the resultant electrochemical performance of LMBs are also presented. Finally, novel insights and promising research directions from the practical application viewpoints are proposed for future electrolyte designs for high‐voltage LMBs.

Rational screening of metal single-atom-doped ZSM-5 to promote ring-opening cracking of cycloalkanes to light olefins

The ring-opening cracking of cycloalkanes to light olefins poses a formidable challenge due to the sluggish activation of the C–C bond. In this study, we realize the rational screening of various single metal doped M−ZSM−5 catalysts (M = Mn, Co, Ni, Cu, Zn, Zr, Ru, Rh, Pd, Ag, Pt) to promote the ring-opening cracking of cycloalkanes to light olefins. Our calculation results show that methyl cyclopentane, a model compound of cycloalkanes, tends to adsorb in the form of a “half-chair” configuration in the intersecting channels of the M−ZSM−5, which is caused by the drastic distortion of the five-membered ring, accompanied by large changes in the bond angles. Based on the host–guest interaction between the active site and hydrocarbon in ring-opening cleavage, we reveal that the binding energies of metals to H and C can respectively quantify the metal’s ability to activate C–H and C–C bonds in cycloalkanes. By solving the microkinetic model, we plot activity-selectivity TOF volcano diagrams, where Mn, Ru, Rh-ZSM-5 within the EH range of −2.5 to −3.5 eV and the EC range of −6 to −8 eV can efficiently induce the ring-opening reaction of cycloalkanes without excessive dehydrogenation leading to aromatic hydrocarbon formation. The calculation shows good agreement with catalytic experimental tests and in situ DRIFT spectra results, providing a series of potential candidate catalysts for the ring-opening cracking of cycloalkane-rich diesel fuel.

Hindlimb kinematics, kinetics, and muscle dynamics during sit-to-stand and sit-to-walk transitions in emus (Dromaius novaehollandiae).

Terrestrial animals not only need to walk and run but also lie prone to rest and then stand up. Sit-to-stand (STS) and sit-to-walk (STW) transitions are vital behaviours little studied in species other than humans so far, but likely impose biomechanical constraints on limb design because they involve near-maximal excursions of limb joints that should require large length changes and force production from muscles. By integrating data from experiments into musculoskeletal simulations, we analysed joint motions, ground reaction forces, and muscle dynamics during STS and STW in a large terrestrial, bipedal, and cursorial bird: the emu (Dromaius novaehollandiae, ∼30 kg). Simulation results suggest that in both STS and STW, emus operate near the functional limits (∼50 % of shortening/lengthening) of some of their hindlimb muscles, particularly in distal muscles with limited capacity for length change and leverage. Both movements involved high muscle activations (> 50 %) and force generation of the major joint extensor muscles early in the transition. STW required larger net joint moments and non-sagittal motions than STS, entailing greater demands for muscle capacity. Whilst our study involves multiple assumptions, our findings lay the groundwork for future studies to understand, for example, how tendon contributions may reduce excessive muscle demands, especially in the distal hindlimb. As the first investigation into how an avian species stands up, this study provides a foundational framework for future comparative studies investigating organismal morphofunctional specialisations and evolution, offering potential robotics and animal welfare applications.