bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamics and kinetics in structural biology: the example of DNA photolyase
Authors: Moffat Keith
Published: January 2025

All biochemical reactions directly involve structural changes that may occur over a very wide range of timescales from femtoseconds to seconds. Understanding the mechanism of action thus requires determination of both the static structures of the macromolecule involved and short-lived intermediates between reactant and product. This requires either freeze-trapping of intermediates, for example by cryo-electron microscopy, or direct determination of structures in active systems at near-physiological temperature by time-resolved X-ray crystallography. Storage ring X-ray sources effectively cover the time range down to around 100 ps that reveal tertiary and quaternary structural changes in proteins. The briefer pulses emitted by hard X-ray free electron laser sources extend that range to femtoseconds, which covers critical chemical reactions such as electron transfer, isomerization, breaking of covalent bonds, and ultrafast structural changes in light-sensitive protein chromophores and their protein environment. These reactions are exemplified by the time-resolved X-ray studies by two groups of the FAD-based DNA repair enzyme, DNA photolyase, over the time range from 1 ps to 100 μs.
Poetic License: Political Education in Hobbes’s Translation of Homer’s Iliad
Authors: Pope Thomas
Published: January 2025

Although it is largely overlooked, Thomas Hobbes spent the final years of his life translating Homer’s epic poetry. Despite an overwhelmingly popular extant English edition of the Iliad by George Chapman, Hobbes chose to proffer his own account, often taking great liberties with the source material. Juxtaposed against Chapman’s translation, we see that Hobbes implicitly critiques the political philosophy it commends—a philosophy which disrespects kingly power, misunderstands sovereign authority, and abdicates human virtue. Hobbes sees these elements as corrupting the poetic imagination of England, precipitating much of the unrest we see in the seventeenth century. In correcting and reframing these tales for a new world, Hobbes provides a moral scaffolding for his political philosophy through one of the most widely read classical texts of his time.
Income inequality in Mexico, 1895-1940: industrialisation, revolution, institutions
Authors: Castañeda Garza Diego , Bengtsson Erik
Published: January 2025

This paper, building on new archival research and the social table method, presents comprehensive estimates of income inequality in Mexico in 1895, 1910, 1930 and 1940. Inequality grew from 1895 to 1910, driven by economic expansion within the context of an oligarchic economy. While real income increased for the lower classes during this period, the main beneficiaries were large landowners and entrepreneurs. In the revolutionary period from 1910 to 1930 inequality decreased especially as a result of land reforms, benefitting peasants at the expense of the large landowners. However, the economic structure of the country was not fundamentally changed, and in the 1930s inequality raised as incomes of peasants and those in the informal sector fell behind manufacturing and other high-earning sectors. The Mexican case shows the complex interaction of economics, demography and politics in determining economic inequality.
Updated zoo standards for care of elephants in England
Authors: Carter E
Published: January 2025

In 2008, a Report found that there were a number of welfare concerns for zoo-housed elephants in the United Kingdom (UK) (Harris et al 2008). Many elephants had foot or joint problems (over half the national herd was either mildly or severely lame), 75% of the herd was classed as ‘overweight’ or ‘very overweight’, and many elephants exhibited abnormal behaviour (stereotypies). Subsequent to this Report, the British and Irish Association of Zoos and Aquariums (BIAZA) formed the Elephant Welfare Group and were tasked by the UK Government with improving the welfare of captive elephants over the next ten years.
The welfare of wild animals in circuses
Authors: Carter E
Published: January 2025

The number of wild animals in travelling circuses is small — at the end of the 2017 touring season there were only two travelling circuses and the licenses covered 19 animals (six reindeer, four zebra, three camels, three racoons, a fox, a macaw, and a zebu). However, for a number of years, ethical concerns have been raised over the keeping of wild animals in travelling circuses and six years ago, in response to these concerns, the Government introduced the Welfare of Wild Animals in Travelling Circuses (England) Regulations 2012.
New onset of protein-losing enteropathy in a patient with Fontan circulation after COVID-19 vaccination: dread the cure or the disease?
Authors: Kacar Polona , Iannaccone Giulia , McDonnell Ella , Montanaro Claudia
Published: January 2025

We present the case of a 31-year-old female with Fontan circulation who developed signs of protein-losing enteropathy 10 days after second COVID-19 vaccination. After standard investigations for identification of potential triggers for protein-losing enteropathy, we concluded that coronavirus disease 2019 (COVID-19) booster vaccination could have been the most probable underlying trigger. Prompt investigation of new symptoms post-vaccination in high-risk patients is necessary.
Indigenous political theory, metaphysical revolt, and the decolonial rearticulation of political ordering
Authors: Clavé-Mercier Valentin
Published: January 2025

Colonization processes have resulted in the naturalization and universalization of a particular Eurocentric construction of political ordering. As a result, Indigenous claims of sovereignty – especially significant in settler colonial contexts since the 1960s and 1970s – have historically been obfuscated and are still construed as anomalies or impossibilities. Based on poststructuralist international relations theory and Indigenous political theory, as well as interviews conducted with Māori actors participating in the mobilization of sovereignty politics, this article advances two main contributions. Firstly, it develops a particular approach to the state-Indigenous contention of political ordering by calling attention to the metaphysical foundations of the particular conceptions of sovereignty they respectively deploy. Secondly, it contends that Māori political actors are enacting a ‘metaphysical revolt’ through their reconceptualization of sovereignty theory and practice; one that contains potential for a decolonial rearticulation of political ordering. Through its direct engagement with Indigenous political mobilization and the theorizing sustaining it, this article illustrates how Indigenous theories of sovereignty translate into conceptual alternatives that break away from the colonial roots and underpinnings of paradigmatic sovereignty. Therefore, this article contributes to exploring alternative models of political ordering by illuminating the links between Indigenous thought and decolonial imagination.
Statistical Study of Electric Pc5 Pulsations in the Inner Magnetosphere Observed by Cluster
Authors: Yan Li , Liu Wenlong , Zhang Dianjun , Sarris Theodore E. , Li Xinlin , Tong Xin
Published: January 2025

Ultra‐low frequency (ULF) waves in the Pc5 band are essential for the transport of electrons in the radiation belt and the transport of energy from the solar wind into the magnetosphere. Based on ∼14‐year of electric field data from Cluster satellite, the spatial distributions of power spectral densities (PSD) of electric field ULF waves in the inner magnetosphere are statistically investigated, suggesting that PSDs of electric ULF wave increase with increasing L and depend on magnetic latitude (MLAT). PSDs of electric ULF wave are greater at noon for lower |MLAT| and at midnight for higher |MLAT|. Moreover, the L and MLAT dependent empirical formulas for the ULF magnetic and electric fields are provided, enabling the latitudinal effect in the radial diffusion evaluation. The results in this paper suggest a potential shift in the contribution to radial diffusion may occur between the magnetic and electric fields at different MLATs.
Reshaping of New Nitrogen Regime by Anticyclonic Eddies in the Northern South China Sea
Authors: Tian Juan , Zhang Yue , Jing Hongmei , Ren Haojia , Mao Huabin , Zhou Hantao , Zheng Minfang , Chen Mengya , Zhang Run , Chen Min
Published: January 2025

Mesoscale anticyclonic eddies (ACEs) act as an important physical disturbance for marine biogeochemical cycle, but our knowledge of the dynamics of critical new nitrogen (N) sources in such environments remains ambiguous. Here, we report concurrent data on two major sources of new N, that is, the N2 fixation rate (via 15N2 bubble release method) and vertical diffusive nitrate flux (Fdiff‐), for the euphotic zone (EZ) in the northern South China Sea ACEs during summer 2020. Depth‐integrated N2 fixation rates (INF) were moderately elevated (∼30%) in the center of the ACEs compared with those in the outside stations, suggesting that ACEs generally provide a more favorable environment for N2 fixation. In contrast, the upward Fdiff‐ into the EZ were greatly lowered by an order of magnitude in the ACE center (center: 26.0 ± 8.2 μmol N m−2 d−1; outside: 124.0 ± 127.6 μmol N m−2 d−1), thus making N2 fixation a much more significant contributor to new production under ACE influence. Such contribution is further demonstrated in the nutrient depleted layer where substantial carbon export may be taking place. Interestingly, a significant positive correlation for the ratio of the INF to the upward Fdiff‐ versus sea level anomaly was observed. ACE will likely leave an imprint on the isotopic composition of exported N, implying that there is possibly a need to take mesoscale forcings into account when interpreting isotopic signals from sinking particles. These findings will improve our understanding of N2 fixation dynamics in response to mesoscale ACEs in tropical/subtropical oceanic regions, also helping better constrain biogeochemical models.
Light Absorbing Particles Deposited to Snow Cover Across the Upper Colorado River Basin, Colorado, 2013–2016: Interannual Variations From Multiple Natural and Anthropogenic Sources
Authors: Reynolds Richard L. , Goldstein Harland L. , Kokaly Raymond , Lowers Heather , Breit George N. , Moskowitz Bruce M. , Solheid Peat , Derry Jeff , Lawrence Corey R.
Published: January 2025

Atmospheric particulate matter (PM) as light‐absorbing particles (LAPs) deposited to snow cover can result in early onset and rapid snow melting, challenging management of downstream water resources. We identified LAPs in 38 snow samples (water years 2013–2016) from the mountainous Upper Colorado River basin by comparing among laboratory‐measured spectral reflectance, chemical, physical, and magnetic properties. Dust sample reflectance, averaged over the wavelength range of 0.35–2.50 μm, varied by a factor of 1.9 (range, 0.2300–0.4444) and was suppressed mainly by three components: (a) carbonaceous matter measured as total organic carbon (1.6–22.5 wt. %) including inferred black carbon, natural organic matter, and carbon‐based synthetic, black road‐tire‐wear particles, (b) dark rock and mineral particles, indicated by amounts of magnetite (0.11–0.37 wt. %) as their proxy, and (c) ferric oxide minerals identified by reflectance spectroscopy and magnetic properties. Fundamental compositional differences were associated with different iron oxide groups defined by dominant hematite, goethite, or magnetite. These differences in iron oxide mineralogy are attributed to temporally varying source‐area contributions implying strong interannual changes in regional source behavior, dust‐storm frequency, and (or) transport tracks. Observations of dust‐storm activity in the western U.S. and particle‐size averages for all samples (median, 25 μm) indicated that regional dust from deserts dominated mineral‐dust masses. Fugitive contaminants, nevertheless, contributed important amounts of LAPs from many types of anthropogenic sources.
An Interhemispheric Difference in Atmospheric Gaseous Elemental Mercury Isotopes Reveals a New Insight in Oceanic Mercury Emissions
Authors: Tang Kaihui , Song Zhengcheng , Fu Xuewu , Zhang Yanxu , Zhang Hui , Sun Ye , Zhang Hui , Wu Xian , Deng Qianwen , Zhang Leiming , Suratman Suhaimi , Seng Tan Hock , Feng Xinbin
Published: January 2025

Oceanic emission of gaseous elemental mercury (Hg0 or GEM) is an important source for atmospheric mercury (Hg), but existing estimates of global gross oceanic Hg0 emissions are highly variable (800–7,220 Mg yr−1). This study measured atmospheric GEM concentrations and isotopic compositions at two coastal sites in Terengganu, Malaysia, a region that receives air masses from both hemispheres, during 2019–2021 to diagnose the amount of oceanic Hg0 emissions. Significantly lower mean (±1sd) concentration (1.28 ± 0.20 ng m−3), Δ199Hg (−0.23 ± 0.03‰), and Δ200Hg (−0.066 ± 0.018‰) and significantly higher δ202Hg (0.43 ± 0.12‰) were observed during the wet season when air masses were predominantly from the Southern Hemisphere, compared with those (mean concentration, Δ199Hg, Δ200Hg, and δ202Hg of 1.77 ± 0.09 ng m−3, −0.17 ± 0.03‰, −0.045 ± 0.023‰, and 0.25 ± 0.11‰, respectively) during the dry season when air masses were predominantly from the Northern Hemisphere, suggesting interhemispheric difference in GEM concentrations and its isotopic compositions. Using a Δ200Hg mass balance model, we estimated that the oceanic Hg0 emissions from HgII reduction should be below 2,250 ± 891 Mg yr−1 (±1sd), which is at the low‐end range of the literature reported values. We then used the constrained value as emission input to a three‐dimensional atmospheric Hg isotope model and reproduced well the global distributions and interhemispheric gradient of atmospheric GEM Δ200Hg. The findings from the present study will help to better understand Hg0 emissions from global oceans and their roles in global atmospheric Hg cycling.
Spatiotemporal Variability of Saturn's Zonal Winds Observed by Cassini
Authors: Wang Xinyue , Li Liming , Guan Larry , Jiang Xun , Fry Patrick M. , Dyudina Ulyana A. , Fletcher Leigh N. , García‐Melendo Enrique , Hueso Ricardo , Morales‐Juberías Raúl , Sánchez‐Lavega Agustin , Simon Amy A.
Published: January 2025

The strong zonal winds on giant planets are among the most interesting phenomena in our solar system. Observations recorded by the Composite Infrared Spectrometer (CIRS), the Imaging Science Subsystem (ISS), and the Visual and Infrared Mapping Spectrometer (VIMS) on the Cassini spacecraft are utilized to investigate spatiotemporal variations in Saturn's zonal winds. A general thermal wind equation works for investigating the vertical structure of zonal winds at all latitudes, but it has integration gaps near the equator caused by the cylindrical integration path. Here, we develop an algorithm to address this limitation, which is validated by the observed zonal winds. The algorithm is combined with the CIRS‐retrieved temperature and the ISS‐measured winds to generate a complete picture of the vertical structure of Saturn's zonal winds for the upper troposphere (i.e., 50–500 mbar), which suggests that the equatorial zonal winds have complicated vertical structures. The zonal winds from 10°S to 10°N initially decrease with altitude and then increase. Additionally, the intense narrow equatorial jet between 3°S and 3°N widens with altitude. The zonal winds are further used to examine the atmospheric stability, which implies some unstable regions. Finally, the analysis of Cassini multi‐instrument observations reveals different temporal behaviors of zonal winds in the vertical direction, which suggests that seasonally varying solar flux is one of the drivers of temporal variations in zonal winds.
Limited Influence of Hydrogen on the Sound Velocity of the Martian Core: Constraints From First‐Principles Molecular Dynamics Simulations of Fe‐S‐H Liquids
Authors: Liu Tao , Jing Zhicheng
Published: January 2025

Recent seismic observations from the InSight mission have provided new constraints to the structure, density, and sound velocity of the martian core. Despite these advancements, the precise compositional makeup of the martian core remains largely uncertain, partly due to the poorly constrained equations of state for Fe‐light element alloying liquids. Here we performed first‐principles molecular dynamics simulations of Fe‐S and Fe‐S‐H liquids under pressures of 16–58 GPa and temperatures of 1,700–3,200 K, covering the martian core conditions. The effects of hydrogen on the density and sound velocity of Fe‐S liquids were investigated based on the calculated pressure‐density‐temperature data. Our results show that the calculated density of an Fe‐S‐H core can match that of the martian core, depending on the core sulfur and hydrogen contents and the seismic model used, but the corresponding sound velocity is always lower than the seismically observed P‐wave velocity of the core. This implies that an additional light element, likely carbon, that can elevate the sound velocity of Fe‐S liquids, must be present in the martian core.
Inner Core Composition of the Moon and Ganymede Constrained by Thermal Equation of State of Fe0.99C0.01
Authors: Su Xiaowan , Liu Jin , Zhou Yongsheng , Man Lianjie , Hou Mingqiang
Published: January 2025

Core composition is essential for understanding the state, structure and evolution of terrestrial planets and satellites. Here we present synchrotron energy‐dispersive X‐ray diffraction measurements on Fe0.99C0.01 alloy, a possible candidate inner‐core component, in a Paris‐Edinburgh press up to 8.0 GPa and 1773 K. The thermal equation of state of face‐centered cubic (fcc or γ) Fe0.99C0.01 was established at 0.8–8.0 GPa and 973–1773 K (V0 = 48.3(3) Å3, K0 = 143(35) GPa,  = 4, (∂K/∂T)P = −0.02(9) GPa K−1, and thermal expansion αT = a + bT with a = 7(2) × 10−5 K−1 and b = −0(7) × 10−8 K−2). In particular, adding 1 at.% carbon decreases the density of fcc Fe by ∼0.09 g/cm3 at 8.0 GPa and 1773 K. Comparison with geophysical observations suggests that the density of Fe‐C alloy (0.2–6.7 wt.% C) could not account for the inner core density of the Moon and Ganymede. The γ‐Fe0.99C0.01 also displays a higher velocity by ∼1.45–1.59 km/s than the lunar inner core. This result implies that carbon should be not the sole light element in the inner core of the Moon and Ganymede.
Precession Controls on Climate and Water Isotope Signals in Northern Africa
Authors: Shi Xiaoxu , Werner Martin , Yang Hu , Gao Qinggang , Liu Jiping , Lohmann Gerrit
Published: January 2025

Precessional forcing is a key driver of quaternary climate change. Based on 24 experiments covering a full precession cycle, this study explores spatio‐temporal variations of both climate and isotope signals in Northern Africa. We find a synchronous phasing of precipitation variations with solar radiation levels and an asynchronous timing of surface air temperature changes across different sub‐regions of Northern Africa. Based on daily precipitation, our results reveal earlier onset and withdrawal, as well as a shorter duration of the West Africa summer monsoon (WASM) at minimum precession compared to maximum precession. The onset of the WASM is controlled by the intensity of the Sahara Heat Low, while the monsoon termination is linked to subtropical solar radiation and interhemispheric thermo contrast. Using a novel scale‐flux tracing technique, we find that, precipitation during minimum precession is more influenced by evaporation from warmer and more humid regions compared to maximum precession. Additionally, certain inland areas of Northern Africa exhibit positive temporal isotope‐precipitation gradients, violating the “amount effect.” This phenomenon mainly occurs during precession phases associated with Green Sahara periods. The isotope composition changes in such places primarily reflect changes in upstream rainfall quantity, rather than changes in local precipitation as is inferred from present day analogs. Conversely, the “amount effect” remains applicable during dry periods in Africa when the Sahara desert is present. This suggests that isotope‐based reconstruction of past precipitation variations during Green Sahara periods over Northern Africa needs to be taken with caution.
Cell-free DNA release following psychosocial and physical stress in women and men
Authors: Limberg A. S. , Berg F. , Köper E. , Lindgraf C. , Gevers C. , Kumsta R. , Hummel E. M. , Moser D. A.
Published: January 2025

Cell-free DNA (cfDNA) is continuously shed by all cells in the body, but the regulation of this process and its physiological functions are still largely unknown. Previous research has demonstrated that both nuclear (cf-nDNA) and mitochondrial (cf-mtDNA) cfDNA levels increase in plasma in response to acute psychosocial and physical stress in males. This study further investigated these findings by testing 31 female participants (16 using oral hormonal contraception and 15 not using oral hormonal contraception), and the results were subsequently compared with those of 16 male participants. In addition, cf-nDNA and cf-mtDNA were comparatively quantified in both plasma and saliva at four time points, 2 min before and 2, 15, and 45 min after stress induction. A novel method was implemented to facilitate the straightforward collection of capillary blood by non-medical personnel for plasma analysis. While cf-mtDNA is readily detectable in body fluids due to its high copy number, the quantification of cf-nDNA is challenging due to its low abundance. To overcome this, a multiplex quantitative polymerase chain reaction (qPCR) protocol targeting L1PA2 elements, which are prevalent in the human genome, was utilized. The analysis indicated significantly elevated levels of cf-nDNA in both plasma and saliva in all participants, irrespective of gender, following psychosocial and physical stress. Conversely, neither plasma nor saliva exhibited a consistent or stress-induced release pattern for cf-mtDNA. CfDNA is a promising biomarker that is consistently released after stress in both men and women and can be detected in both plasma and saliva. However, further research is necessary to elucidate the mechanisms of cfDNA release from specific cells and to understand its biological function in the body.
The transcriptional response of cortical neurons to concussion reveals divergent fates after injury
Authors: Alkaslasi Mor R. , Lloyd Eliza Y. H. , Gable Austin S. , Silberberg Hanna , Yarur Hector E. , Tsai Valerie S. , Sohn Mira , Margolin Gennady , Tejeda Hugo A. , Le Pichon Claire E.
Published: January 2025

Traumatic brain injury (TBI) is a risk factor for neurodegeneration, however little is known about how this kind of injury alters neuron subtypes. In this study, we follow neuronal populations over time after a single mild TBI (mTBI) to assess long ranging consequences of injury at the level of single, transcriptionally defined neuronal classes. We find that the stress-responsive Activating Transcription Factor 3 (ATF3) defines a population of cortical neurons after mTBI. Using an inducible reporter linked to ATF3, we genetically mark these damaged cells to track them over time. We find that a population in layer V undergoes cell death acutely after injury, while another in layer II/III survives long term and remains electrically active. To investigate the mechanism controlling layer V neuron death, we genetically silenced candidate stress response pathways. We found that the axon injury responsive dual leucine zipper kinase (DLK) is required for the layer V neuron death. This work provides a rationale for targeting the DLK signaling pathway as a therapeutic intervention for traumatic brain injury. Beyond this, our approach to track neurons after a mild, subclinical injury can inform our understanding of neuronal susceptibility to repeated impacts.
Clinical and biochemical factors associated with amygdalar metabolic activity
Authors: Tahara Atsuko , Tahara Nobuhiro , Honda Akihiro , Igata Sachiyo , Bekki Munehisa , Maeda-Ogata Shoko , Koga Yuki , Nonaka Ruiko , Murotani Kenta , Tanoue Shuichi , Yamagishi Sho-ichi , Fukumoto Yoshihiro
Published: January 2025

We investigated clinical factors and biochemical markers associated with amygdalar metabolic activity evaluated by [18F]-fluorodeoxyglucose-positron emission tomography (FDG-PET) in 346 subjects without a history of malignant neoplasms. Univariate regression analysis revealed significant relationships between amygdalar metabolic activity and fasting plasma glucose (FPG), glycated hemoglobin, coronary artery disease (CAD) history, aspirin use, oral hypoglycemic agents (OHAs) use, and asymmetric dimethylarginine (ADMA). In multiple stepwise regression analysis, FPG and CAD history were independently associated with amygdalar metabolic activity. Moreover, in 36 patients with type 2 diabetes mellitus (T2DM), additional OHAs treatment significantly improved glycemic and metabolic parameters, and decreased ADMA concentrations. Baseline and Δpigment epithelium-derived factor (PEDF), a marker of insulin resistance, was a significant associate with Δamygdalar metabolic activity. Our study demonstrates that FPG and CAD history were independently associated with amygdalar metabolic activity in subjects without a history of malignant neoplasms. In T2DM patients, PEDF might regulate amygdala metabolic activity.
Land system changes of terrestrial tipping elements on Earth under global climate pledges: 2000–2100
Authors: Lv Jiaying , Gao Yifan , Song Changqing , Chen Li , Ye Sijing , Gao Peichao
Published: January 2025

Tipping elements on Earth are components that undergo rapid and irreversible changes when climate change reaches a tipping point. They are highly sensitive to climate variations and serve as early warning signs of global change. Human activities, including global climate pledges, significantly influence the climate and the state of tipping elements. Land changes serve as the external and intuitive response of tipping elements to climate change, making it essential to identify shifts in the land system. We produced a 1-km land system dataset for terrestrial tipping elements on Earth for the years 2000, 2010, 2020, and 2100 under global climate pledges by integrating the GCAM with a modified version of CLUMondo. Our dataset includes 30 thematic categories, combining three density types and ten land cover types. The dataset illustrates potential land system changes under global climate pledges, contrasting with common SSP and RCP scenarios. Our simulations demonstrate high accuracy, offering valuable insights into tipping elements and the assessment of the impacts of global climate pledges on Earth.
$$\hbox {H}_2$$-roaming dynamics in the formation of $$\hbox {H}_{3}^{+}$$ following two-photon double ionization of ethanol and aminoethanol
Authors: Ngai Aaron , Hartweg Sebastian , Asmussen Jakob D. , Bastian Björn , Bonanomi Matteo , Callegari Carlo , Danailov Miltcho , di Fraia Michele , Feifel Raimund , Ganeshamandiram Sarang Dev , Krishnan Sivarama , LaForge Aaron , Landmesser Friedemann , Ltaief Ltaief Ben , Michelbach Moritz , Pal Nitish , Plekan Oksana , Rendler Nicolas , Raimondi Lorenzo , Richter Fabian , Scognamiglio Audrey , Sixt Tobias , Squibb Richard J. , Dulitz Katrin , Stienkemeier Frank , Mudrich Marcel
Published: January 2025

Roaming reactions involving a neutral fragment of a molecule that transiently wanders around another fragment before forming a new bond are intriguing and peculiar pathways for molecular rearrangement. Such reactions can occur for example upon double ionization of small organic molecules, and have recently sparked much scientific interest. We have studied the dynamics of the
$$\hbox {H}_2$$
-roaming reaction leading to the formation of
$$\hbox {H}_3^+$$
after two-photon double ionization of ethanol and 2-aminoethanol, using an XUV-UV pump-probe scheme. For ethanol, we find dynamics similar to previous studies employing different pump-probe schemes, indicating the independence of the observed dynamics from the method of ionization and the photon energy of the disruptive probe pulse. Surprisingly, we do not observe a kinetic isotope effect in ethanol-
$$\hbox {D}_6$$
, in contrast to previous experiments on methanol where such an effect was observed. This distinction indicates fundamental differences in the energetics of the reaction pathways as compared to the methanol molecule. The larger number of possible roaming pathways compared to methanol complicates the analysis considerably. In contrast to previous studies, we additionally analyze a broad range of dissociative ionization products, which feature distinct dynamics from that of
$$\hbox {H}_{3}^{+}$$
and allow initial insight into the action of the disruptive UV-probe pulse.
Hybrid clustering strategies for effective oversampling and undersampling in multiclass classification
Authors: Salehi Amirreza , Khedmati Majid
Published: January 2025

Multiclass imbalance is a challenging problem in real-world datasets, where certain classes may have a low number of samples because they correspond to rare occurrences. To address the challenge of multiclass imbalance, this paper introduces a novel hybrid cluster-based oversampling and undersampling (HCBOU) technique. By clustering and separating classes into majority and minority categories, this algorithm retains the most information during undersampling while generating efficient data in the minority class. The classification is carried out using one-vs-one and one-vs-all decomposition schemes. Extensive experimentation was carried out on 30 datasets to evaluate the proposed algorithm's performance. The results were subsequently compared with those of several state-of-the-art algorithms. Based on the results, the proposed algorithm outperforms the competing algorithms under different scenarios. Finally, The HCBOU algorithm demonstrated robust performance across varying class imbalance levels, highlighting its effectiveness in handling imbalanced datasets.
Spatial variations in urban woodland cooling between background climates
Authors: J Liu , M Dennis , S. J Lindley
Published: January 2025

Urban woodland composition and configuration have strong associations with land surface temperatures (LST), but the evidence is contradictory due to different spatial scales, regional climate zones, woodland types and urban contexts. In this study, we analyse associations between urban woodland and LST within and between five cities in different Köppen climate zones. Our consistent methodology is framed around local climate zones and conducted at a fine spatial scale. We find that urban woodland fragmentation, connectedness, and shape complexity all influence LST, though much less than overall cover. The importance of cover holds for all climates except for hot-desert (Cairo). Otherwise, every 1% increase in woodland cover corresponds to a reduction of LST of around 0.07 °C to 0.02 °C (London-Cfb > Toronto-Dfa > Nanjing-Cfa > Shenyang-Dwa). Within cities, increasing urban woodland cover generally reduces LST more in built-up compared to vegetated zones. Nevertheless, associations between local LST and urban woodland composition and configuration are highly heterogeneous across cities, especially in cooler climates. Thus, to unravel the complexities of urban woodland cooling, systematic analysis of contemporaneous local and regional factors is required.
Adsorption of Acid Yellow 36 and direct blue 86 dyes to Delonix regia biochar-sulphur
Authors: Eleryan Ahmed , Aigbe Uyiosa Osagie , Ukhurebor Kingsley Eghonghon , Hassaan Mohamed A. , Ragab Safaa , Osibote Otolorin Adelaja , Hossain Ismail , El Nemr Ahmed
Published: January 2025

This study aims to investigate a new approach to removing hazardous dyes like Direct Blue 86 (DB86) and Acid Yellow 36 (AY36) from aqueous environments. Delonix regia biochar-sulphur (DRB-S), made from Delonix regia seed pods (DPSPs), is an inexpensive and environmentally friendly adsorbent. Different characterization investigations using BJH, BET, FTIR, SEM, DSC, TGA, and EDX were utilized in the descriptions of the DRB-S biosorbent. The optimal pH for AY36 dye and DB86 dye adsorption to the DRB-S adsorvbent was at pH 1.5. For the adsorption of AY36 and DB86 to DRB-S, equilibrium was attained at 30 and 90 min of reaction time interaction. The Langmuir model (LGM) and pseudo-second-order-model (PSOM) best describe the biosorption of both dye molecules to the biosorbent owing to the equal and homogeneous spread of the dye molecules over the biosorbent porous surface and a chemisorption process which involved the valency force through the exchange of electrons between the dye molecules and the prepared biosorbent. The determined biosorption capacities for both dyes (AY36 and DB86) were found to be 270.27 mg/g and 36.23 mg/g, respectively. In conclusion, this recently synthesised DRB-S adsorbent exhibited an impressive sorption capacity and successfully removed AY36 and DB86 dyes. This suggests that the biosorbent has potential applications in wastewater treatment and can be recycled without affecting its adsorption effectiveness.
Optimal frequency bands for pupillography for maximal correlation with HRV
Authors: Medeiros Júlio , Bernardes André , Couceiro Ricardo , Oliveira Paulo , Madeira Henrique , Teixeira César , Carvalho Paulo
Published: January 2025

Assessing cognitive load using pupillography frequency features presents a persistent challenge due to the lack of consensus on optimal frequency limits. This study aims to address this challenge by exploring pupillography frequency bands and seeking clarity in defining the most effective ranges for cognitive load assessment. From a controlled experiment involving 21 programmers performing software bug inspection, our study pinpoints the optimal low-frequency (0.06-0.29 Hz) and high-frequency (0.29-0.49 Hz) bands. Correlation analysis yielded a geometric mean of 0.238 compared to Heart Rate Variability features, with individual correlations for low-frequency, high-frequency, and their ratio at 0.279, 0.168, and 0.286, respectively. Extending the study to 51 participants, including a different experiment focusing on mental arithmetic tasks, validated the previous findings and further refined bands, maintaining effectiveness with a geometric mean correlation of 0.236 and surpassing common frequency bands reported in the existing literature. This study represents a pivotal step toward converging and establishing a coherent framework for frequency band definition to be used in pupillography analysis. Furthermore, based on this, it also contributes insights into the importance of more integration and adoption of eye-tracking with pupillography technology into authentic software development contexts for cognitive load assessment at a very fine level of granularity.
Exogenous LEA proteins expression enhances cold tolerance in mammalian cells by reducing oxidative stress
Authors: Lo Sterzo Martina , Iuso Domenico , Palazzese Luca , Moncada Margherita , Boffa Francesca , Scudieri Aurora , Gioia Luisa , Czernik Marta , Loi Pasqualino
Published: January 2025

Understanding the molecular mechanisms that confer cold resistance in mammalian cells might be relevant for advancing medical applications. This study aimed to exploit the protective function of Late Embryogenesis Abundant (LEA) proteins, known to provide resistance to low temperatures in extremophiles and plants, by their exogenous expression in mammalian cells, and compare their effects with the well characterized antioxidant, vitamin E.

Remarkably, the expression of LEA proteins in mammalian cells exerted cold-protective effect similar to Vitamin E. LEA proteins preserved cell viability during cold stress and ensured a normal metabolic activity after warming. Their protective action was due to the mitigation of cold-induced mitochondrial stress and the overproduction of reactive oxygen species (ROS), leading in turn to enhanced cytoskeleton stability and decreased DNA damage. Our studies showed that plant-derived LEA proteins exhibit remarkable cold protection effects in mammalian cells through their potent antioxidant properties, which was found comparable to Vitamin E.
Temperature dependence of liverwort diversification reveals a cool origin and hot hotspots
Authors: Maul Karola , Gradstein S. Robbert , Quandt Dietmar , Kessler Michael
Published: January 2025

The evolutionary history underlying gradients in species richness is still subject to discussions and understanding the past niche evolution might be crucial in estimating the potential of taxa to adapt to changing environmental conditions. In this study we intend to contribute to elucidation of the evolutionary history of liverwort species richness distributions along elevational gradients at a global scale. For this purpose, we linked a comprehensive data set of genus occurrences on mountains worldwide with a time-calibrated phylogeny of liverworts and estimated mean diversification rates (DivElev) and mean ages (AgeElev) of the respective genera per elevational band. In addition, we reconstructed the ancestral temperature preferences of the genera. We found that diversification rates increase linearly with temperature, and hence decrease with elevation. This pattern is mainly driven by epiphytic genera. In contrast, overall genus age is highest at intermediate elevations where liverwort species richness peaks and decreases towards both ends of the elevational and thermal gradient. Our results further indicate that the ancestral lineages from which the extant liverwort genera descended had a preference for cool and humid habitats. We conclude that the extant liverwort species diversity accumulated over long time under these climatic conditions, which are today prevailing at mid-elevations of the world’s mountains. Subsequently, liverworts expanded their ranges from these temperate areas towards warm (with high diversification rates) and cold regions (with low diversification rates), located in contemporaneous (tropical) lowlands and high mountains, respectively. The conserved preference for temperate climates shared by the majority of liverwort lineages gives reason to the assumption that they will not be able to cope with the conditions induced by rapid climate warming, whereas the current low-elevation radiation may be less affected by climate change.
High prediction skill of decadal tropical cyclone variability in the North Atlantic and East Pacific in the met office decadal prediction system DePreSys4
Authors: Monerie Paul-Arthur , Feng Xiangbo , Hodges Kevin , Toumi Ralf
Published: January 2025

The UK Met Office decadal prediction system DePreSys4 shows skill in predicting the number of tropical cyclones (TCs) and TC track density over the eastern Pacific and tropical Atlantic Ocean on the decadal timescale (up to ACC = 0.93 and ACC = 0.83, respectively, as measured by the anomaly correlation coefficient—ACC). The high skill in predicting the number of TCs is related to the simulation of the externally forced response, with internal climate variability also allowing the improvement in prediction skill. The Skill is due to the model’s ability to predict the temporal evolution of surface temperature and vertical wind shear over the eastern Pacific and tropical Atlantic Ocean. We apply a signal-to-noise calibration framework and show that DePreSys4 predicts an increase in the number of TCs over the eastern Pacific and the tropical Atlantic Ocean in the next decade (2023–2030), potentially leading to high economic losses.
A systematic review of passive data for remote monitoring in psychosis and schizophrenia
Authors: Bladon Siân , Eisner Emily , Bucci Sandra , Oluwatayo Anuoluwapo , Martin Glen P. , Sperrin Matthew , Ainsworth John , Faulkner Sophie
Published: January 2025

There is increasing use of digital tools to monitor people with psychosis and schizophrenia remotely, but using this type of data is challenging. This systematic review aimed to summarise how studies processed and analysed data collected through digital devices. In total, 203 articles collecting passive data through smartphones or wearable devices, from participants with psychosis or schizophrenia were included in the review. Accelerometers were the most common device (n = 115 studies), followed by smartphones (n = 46). The most commonly derived features were sleep duration (n = 50) and time spent sedentary (n = 41). Thirty studies assessed data quality and another 69 applied data quantity thresholds. Mixed effects models were used in 21 studies and time-series and machine-learning methods were used in 18 studies. Reporting of methods to process and analyse data was inconsistent, highlighting a need to improve the standardisation of methods and reporting in this area of research.
Processing and Assembly of Membrane Devices
Authors: Huang Yingjie , Zhao Hui
Published: January 2025

A blood purification device with a membrane is a crucial medical tool utilized in the treatment of kidney failure and other blood-related ailments. This device employs hollow-fiber membranes as a means of separating waste products, toxins, and surplus fluids from the blood by means of selective permeability, while simultaneously preserving beneficial substances and blood cells. The design and manufacture of the membrane equipment play a crucial role in ensuring its effectiveness. This chapter mainly describes the processing of hollow-fiber membranes used for blood purification and the assembly principle of the purification devices.
Recent advances in near-infrared organic photosensitizers for photodynamic cancer therapy
Authors: Nguyen Van-Nghia , Nguyen Minh Viet , Pham Thi Huong , Vu Anh-Tuan , Nguyen Truong Xuan
Published: January 2025

This minireview highlights recent developments in near-infrared organic photosensitizers for photodynamic cancer therapy. The challenges and future prospects of this promising research field are also discussed.
Metal-free four-component coupling of cyclic diarylchloronium salts, tetrahydrothiophene, amines and carbon dioxide
Authors: Kang Bangxiong , Li Wei , Jiang Huanfeng , Qi Chaorong
Published: January 2025

A transition metal-free four-component coupling of cyclic diarylchloronium salts, tetrahydrothiophene, CO2 and amines is reported, which provides an efficient and green route to a range of valuable sulfur-containing carbamates under mild conditions.
Precise detection of NSE and ProGRP with nanoprobes for early diagnosis of small cell lung cancer
Authors: Wang Keyi , Chang Zixuan , Li Yingjie , Wang Yinian , Tang Yue , Gao Xiaonan , Tang Bo
Published: January 2025

A DNA strand-based fluorescent probe was developed for the direct simultaneous detection of small cell lung cancers’ tumor markers NSE and ProGRP.
Decomposition of guaiacol on a subnanometric platinum cluster: a DFT investigation followed by microkinetic analysis
Authors: Nania Chiara , Ferrante Francesco , Bertini Marco , Gueci Laura , Duca Dario
Published: January 2025

The use of biomass as renewable feedstock for commodity chemicals may largely benefit from the successful development and application of heterogeneous catalysts for decomposition processes.
Accentuating the ambient curing behavior of geopolymers: metamodel-guided optimization for fast-curing geopolymers with high flexural strength
Authors: Kim Kyungwon , Song Hyejeong , Lee Sanghun , Cho Hyeongkyu , Lim Hyung Mi , Ko Hyunseok
Published: January 2025

This study presents an optimized geopolymer for rapid curing at low temperature using design of experiments and metamodeling techniques. The geopolymer achieved a record flexural strength of 27.83 MPa, making it suitable for practical on-site use.
A plasma-triggered N–Co–O–Fe motif in Co(OH)2 for efficient electrocatalytic oxygen evolution
Authors: Yang Qian , Li Yaao , Wu Yaoxin , Li Yuxiang , Yang Chenxia , Ban Lili , Zhao Yunxia , Dai Bin , Wang Gang , Li Yongsheng , Zhang Jinli , Wang Zongyuan , Pang Huan , Yu Feng
Published: January 2025

A plasma discharge method in water was proposed to synthesize Fe,N–Co(OH)x. Fe/N co-doping formed N–Co–O–Fe molecules which accelerated electron redistribution, facilitating high-valent Co(iv) formation and lattice oxygen activation.
Particle arrangement control and mechanical robustness enhancement of structurally coloured photonic balls composed of SiO2 particles for environmentally benign inorganic colourants
Authors: Yamanaka Takahiro , Nakatani Yuta , Itoh Kaho , Tarutani Naoki , Katagiri Kiyofumi , Inumaru Kei , Takeoka Yukikazu
Published: January 2025

Control of particle arrangement and enhancement of mechanical robustness in structurally coloured photonic balls are demonstrated. This approach offers a promising, environmentally benign alternative to conventional inorganic colourants.
Synthesis and preclinical evaluation of novel l-cystine-based polyamide nanocapsules loaded with a fixed-dose combination of thymoquinone and doxorubicin for targeted pulmonary anticancer drug delivery
Authors: Banat Hadeel Fayez , Ali Dalia Khalil , Jarrar Qais , Alomary Esra’a , Dahmash Eman Zmaily
Published: January 2025

Novel l-cystine-based polyamide nanoparticles were designed for efficient lung anticancer drug delivery. Comprehensive in vitro and in vivo characterization was conducted to evaluate the nanoparticles’ performance.
Eco-friendly urea-assisted m-SnO2-based hydroelectric cell for green energy production
Authors: Vats Mansi , Singh Alka , Kotnala R. K. , Shah Jyoti , Singh Vaishali
Published: January 2025

The synthesis of urea-assisted mesoporous SnO2 was carried out at two hydrothermal temperatures (95 °C and 150 °C) to generate green electricity through water splitting at the sample surface.
Biocompatible ionic liquid-based aqueous micellar formulation to enhance solubility, stability and controlled release of sparingly soluble drugs
Authors: Atikul Islam Md. , Anjum Nishat , Ataullah Md. , Abdul Muktadir Islam Md. , Nazmul Kayes Md. , Moniruzzaman Muhammad , Korban Ali Md.
Published: January 2025

Biocompatible choline oleate surface active ionic liquid-based micellar formulations have been attracted great interest as a promising candidate for drug delivery system.
Preparation and electrochemical properties of carbon cloth supported (Ni,Co)Se2/CNT composite materials
Authors: Zheng Jiahong , Yang Jingyun , Bai Xin
Published: January 2025

A network interconnected structure of (Ni,Co)Se2/CNT-1 was successfully prepared on CC using hydrothermal method and selenization method. The specific capacitance of (Ni,Co)Se2/CNT-1 reached 1587.8 F g−1 at 1 A g−1.
Structure and formation mechanism of polymer byproducts in vinyl carbonate synthesis
Authors: Teng Junfeng , Wang Lili , Tian Yuan , Sun Xiaoyan , Xiang Shuguang
Published: January 2025

Triethylamine-initiated polymerization of vinyl carbonate is a significant cause of reduced yields in its synthesis from triethylamine and chloroethylene carbonate.
Enhanced directional transfer of charge carriers and optimized electronic structure in fluorine doped polymeric carbon nitride nanosheets for efficient photocatalytic water splitting
Authors: Dong Changxue , Zhang Jin , Chen Qiuyan , Luo Hongrong , Chen Jinwei , Wang Ruilin
Published: January 2025

F doped PCN to enhance the directional transfer of charge carriers and optimize the electronic structure for efficient photocatalytic water splitting.
Copper nanoclusters with aggregation-induced emission: an effective photodynamic antibacterial agent for treating bacteria-infected wounds
Authors: Jiang Zhen , Wei Yongqi , Wang Yun , Han Songjie , Li Ze , Liu Sihang , Wang Zihao , Li Zhijun , Feng Ting , Zhu Haiguang , Yuan Xun
Published: January 2025

Highly luminescent Cu NCs with AIE as photodynamic antimicrobial agents were synthesized and they exhibited exceptional photodynamic bacterial inactivation in vitro, alongside effective treatment of bacteria-infected wounds in vivo.
Doping Gd16 nanoclusters for expanded optical properties and thermometry applications
Authors: Li Tingting , Liu Jinyu , Jiang Feng , He Shengrong , Liu Jinzhe , Dong Weinan , Zhang Ying , Li Yanan , Wu Zhennan
Published: January 2025

We achieved green–red color-tunable luminescence by controlling the doping of Tb3+ and Eu3+ ions in Gd16 clusters and attained a high relative sensitivity of up to 4.6% K−1 in the as-doped Gd15Tb1−xEux (x = 0.8).