bluuebunny/crossref_metadata_2025_split huggingface dataset:
Asymmetric small-molecule acceptor enables suppressed electron-vibration coupling and minimized driving force for organic solar cells
Authors: Guo Jing , Qin Shucheng , Zhang Jinyuan , Zhu Can , Xia Xinxin , Gong Yufei , Liang Tongling , Zeng Yan , Han Guangchao , Zhuo Hongmei , Li Yuechen , Meng Lei , Yi Yuanping , Chen Jianhui , Li Xiaojun , Qiu Beibei , Li Yongfang 
Published: February 2025

Abstract
Minimizing the energy loss, particularly the non-radiative energy loss (ΔE
nr), without sacrificing the charge collection efficiency, is the key to further improve the photovoltaic performance of organic solar cells (OSCs). Herein, we proposed an asymmetric molecular design strategy, via developing alkyl/thienyl hybrid side chain based asymmetric small molecule acceptors (SMAs) BTP-C11-TBO and BTP-BO-TBO, to manipulate the intermolecular interactions to realize enhanced luminescence efficiency and reduced energy loss. Theoretical and experimental results indicate that compared to the three symmetric SMAs BTP-DC11, BTP-DTBO and BTP-DBO, the asymmetric SMAs BTP-C11-TBO and BTP-BO-TBO exhibit repressed electron-vibration coupling and reduced ΔE
nr. Moreover, the asymmetric nature of BTP-BO-TBO allows the formation of multiple D:A interfacial conformations and interfacial energies, which have made the charge-transfer state energies closer to that of the strongly absorbing (and emitting) local-exciton state, thus gaining the low ΔE
nr while maintaining efficient exciton dissociation. Consequently, the PM6:BTP-BO-TBO-based OSCs achieve a higher power conversion efficiency of 19.76%, with a high open circuit voltage of 0.913 V and an efficient fill factor of 81.17%, profiting from the more improved and balanced charge mobility and longer carrier lifetime. This work provides molecular design ideas to suppress nonradiative decay and paves the way to obtain high-performance OSCs.
Overall biomass yield on multiple nutrient sources
Authors: Golan Ohad , Gampp Olivia , Eckert Lina , Sauer Uwe 
Published: February 2025

Abstract
Microorganisms primarily utilize nutrients to generate biomass and replicate. When a single nutrient source is available, the produced biomass typically increases linearly with the initial amount of that nutrient. This linear trend can be accurately predicted by “black box models”, which conceptualize growth as a single chemical reaction, treating nutrients as substrates and biomass as a product. However, natural environments usually present multiple nutrient sources, prompting us to extend the black box framework to incorporate catabolism, anabolism, and biosynthesis of biomass precursors. This modification allows for the quantification of co-utilization effects among multiple nutrients on microbial biomass production. The extended model differentiates between different types of nutrients: non-degradable nutrients, which can only serve as a biomass precursor, and degradable nutrients, which can also be used as an energy source. We experimentally demonstrated using Escherichia coli that, in contrast to initial model predictions, different nutrients affect each other’s utilization in a mutually dependent manner; i.e., for some combinations, the produced biomass was no longer proportional to the initial amounts of nutrients present. To account for these mutual effects within a black box framework, we phenomenologically introduced an interaction between the metabolic processes involved in utilizing the nutrient sources. This phenomenological model qualitatively captures the experimental observations and, unexpectedly, predicts that the total produced biomass is influenced not only by the combination of nutrient sources but also by their relative initial amounts – a prediction we subsequently validated experimentally. Moreover, the model identifies which metabolic processes – catabolism, anabolism, or precursor biosynthesis—is affected in each specific nutrient combination, offering insights into microbial metabolic coordination.
Influenza A virus rapidly adapts particle shape to environmental pressures
Authors: Partlow Edward A. , Jaeggi-Wong Anna , Planitzer Steven D. , Berg Nick , Li Zhenyu , Ivanovic Tijana 
Published: February 2025

Abstract
Enveloped viruses such as influenza A virus (IAV) often produce a mixture of virion shapes, ranging from 100 nm spheres to micron-long filaments. Spherical virions use fewer resources, while filamentous virions resist cell-entry pressures such as antibodies. While shape changes are believed to require genetic adaptation, the mechanisms of how viral mutations alter shape remain unclear. Here we find that IAV dynamically adjusts its shape distribution in response to environmental pressures. We developed a quantitative flow virometry assay to measure the shape of viral particles under various infection conditions (such as multiplicity, replication inhibition and antibody treatment) while using different combinations of IAV strains and cell lines. We show that IAV rapidly tunes its shape distribution towards spheres under optimal conditions but favours filaments under attenuation. Our work demonstrates that this phenotypic flexibility allows IAV to rapidly respond to environmental pressures in a way that provides dynamic adaptation potential in changing surroundings.
Simple Executive Function as an endophenotype of autism-ADHD, and differing associations between simple versus complex Executive Functions and autism/ADHD traits
Authors: Hendry Alexandra , Bedford Rachael , Agyapong Mary , Begum Ali Jannath , Bazelmans Tessel , Ersoy Mutluhan , Goodwin Amy , Mason Luke , Narvekar Nisha , Pasco Greg , Johnson Mark. H. , Jones Emily J. H. , Charman Tony ,   The STAARS Team, Dafner Leila , Fish Laurel , Gliga Teodora , Haartsen Rianne , Halkola Hanna , Holman Rebecca , Kalwarowsky Sarah , Kolesnik Anna , Taylor Chloë 
Published: February 2025

Abstract
Autism and ADHD are associated with difficulties with Executive Functions (EFs), but the prevalence and nature of these difficulties in early development is not well understood. In this longitudinal study, 107 children with a family history of autism and/or ADHD (FH-autism/ADHD), and 24 children with No-FH-autism/ADHD completed multiple EF tasks (5 at age 2 years, 7 at age 3 years). Parents reported on their child’s autism- (Q-CHAT at age 2, SRS-2 at age 3), and ADHD-related traits (CBCL DSM-ADHD scale, both ages). Compared to the No-FH-autism/ADHD group, the FH-autism/ADHD group showed lower scores on simple EFs (involving response inhibition, and holding in mind) at ages 2 and 3. Exploratory analysis linked FH-autism specifically with lower Executive Attention (top-down attentional control) at age 2, and the combination of FH-autism and FH-ADHD with lower Complex EF (involving selectively deploying responses, or updating information) at age 3. Three-year-olds’ Simple EF scores were negatively associated with ADHD-related traits. Complex EF scores were negatively associated with autism traits (before correcting for multiple comparisons). Toddlers with a family history of autism and/or ADHD may benefit from interventions to support simple EF development, whilst those already showing autistic traits may benefit from support with more-complex EF skills.
Reconstruction of porous media pore structure and simulation effect analysis of multi-index based on SNESIM algorithm
Authors: Xie Qing , Gao Jiaqi , Ye Xiaochuang , Li Jia , Song Yifei , Hu Siwen 
Published: February 2025

Abstract
The pore structure of porous media directly affects its permeability characteristics and fluid flow properties, making the accurate reconstruction of these structures of great significance. In recent years, multi-point statistics (MPS) methods have been widely used in pore structure modeling. Among them, the SNESIM algorithm, as an advanced MPS technique, has been extensively applied in the study of porous media pore structures. This paper aims to investigate the use of the SNESIM algorithm for reconstructing pore structures on 2D core slices with varying porosities, all taken from the same core. It also analyzes the effectiveness, limitations, and applicable conditions of the algorithm. This study utilizes CT scan images to construct digital core technology and applies the SNESIM algorithm to reconstruct pore structures of core slices with different porosities. By analyzing performance parameters such as porosity, pore throat ratio, average grain radius, coordination number, and permeability, the study shows that the reconstructed images(RI) from most samples maintain a trend similar to that of the training images(TI), demonstrating the good applicability and reliability of the SNESIM algorithm in pore structure reconstruction. However, the core slices used in this study were all taken from the same core. Effectively transferring the pore structures from the 2D plane to the 3D pore space and restoring the pore structures to the greatest extent still requires further research. In particular, when dealing with complex pore structures, the accuracy and performance of the SNESIM algorithm need further improvement. Future research will focus on optimizing the algorithm to handle more diverse pore structures and exploring 3D reconstruction methods to more comprehensively describe and analyze the pore characteristics in actual porous media.
Hexokinase-I directly binds to a charged membrane-buried glutamate of mitochondrial VDAC1 and VDAC2
Authors: Bieker Sebastian , Timme Michael , Woge Nils , Hassan Dina G. , Brown Chelsea M. , Marrink Siewert J. , Melo Manuel N. , Holthuis Joost C. M. 
Published: February 2025

Abstract
Binding of hexokinase HKI to mitochondrial voltage-dependent anion channels (VDACs) has far-reaching physiological implications. However, the structural basis of this interaction is unclear. Combining computer simulations with experiments in cells, we here show that complex assembly relies on intimate contacts between the N-terminal α-helix of HKI and a charged membrane-buried glutamate on the outer wall of VDAC1 and VDAC2. Protonation of this residue blocks complex formation in silico while acidification of the cytosol causes a reversable release of HKI from mitochondria. Membrane insertion of HKI occurs adjacent to the bilayer-facing glutamate where a pair of polar channel residues mediates a marked thinning of the cytosolic leaflet. Disrupting the membrane thinning capacity of VDAC1 dramatically impairs its ability to bind HKI in silico and in cells. Our data reveal key topological and mechanistic insights into HKI-VDAC complex assembly that may benefit the development of therapeutics to counter pathogenic imbalances in this process.
Social disparities in neighborhood flood exposure in 44,698 urban neighborhoods in Latin America
Authors: Kephart Josiah L. , Bilal Usama , Gouveia Nelson , Sarmiento Olga Lucia , Shingara Emily , Rangel Moreno Karla , Bakhtsiyarava Maryia , Rodriguez Juan Pablo , Ayala Salvador , Carrasco-Escobar Gabriel , Diez Roux Ana V. ,   the SALURBAL Group
Published: February 2025

Abstract
Climate change is expected to greatly increase exposure to flooding, particularly among urban populations in low- and middle-income countries. Here we used daily flood data (2000–2018) to describe socioeconomic disparities in flooding on the basis of neighborhood educational attainment, comparing disparities across and within cities. We used multilevel models to examine disparities in area flooding by city- and neighborhood-level factors, including 44,698 neighborhoods in 276 cities from eight countries with a total of 223 million residents and 117 distinct flood events. One in 4 of residents of neighborhoods in the lowest quintile of educational attainment were exposed to flooding, compared with 1 in 20 residents of neighborhoods in the highest quintile of educational attainment. Neighborhoods experiencing more flooding included those with lower educational attainment, that were coastal, less dense, further from the city center and greener, and that had steeper slopes. We show large social disparities in neighborhood flooding within Latin American cities. Policymakers must prioritize flood adaptation and recovery efforts in neighborhoods with lower socioeconomic status.
Messung des HbA1c am Point-of-Care – klinische und praktische Aspekte
Authors: Schubert-Olesen Oliver , Niederau Christoph , Dänschel Ingrid , Müller-Wieland Dirk , Wiesner Tobias 
Published: February 2025

ZusammenfassungDer HbA1c-Wert ist für die Diagnostik und Verlaufskontrolle des Diabetes ein wertvoller Parameter, da er den glykämischen Status der letzten Wochen widerspiegelt und hohe klinisch-prognostische Relevanz besitzt. Die Messung dieses Biomarkers am Point-of-Care (POC) hat für Arztpraxen und Menschen mit Diabetes aufgrund der einfachen und schnellen Durchführung wichtige Vorteile gegenüber der Bestimmung über externe Labore. Zum einen können Arbeitsabläufe mit der Methodik effizienter gestaltet werden, was insbesondere im Kontext häufig überlasteter Praxiskapazitäten an Bedeutung gewinnt, und zum anderen kann die Patientenzufriedenheit sowie die therapeutische Adhärenz gesteigert werden. Darüber hinaus zeigen Qualitätsdaten, dass einige Geräte zur patientennahen Sofortdiagnostik klinisch-praktisch relevante Anforderungen erfüllen und eine dem Labor entsprechende Messqualität liefern, die internationalen Standards gerecht wird. Die über diese Standards hinausgehenden Qualitätskriterien der aktuellen Richtlinie der Bundesärztekammer zur Qualitätssicherung laboratoriumsmedizinischer Untersuchungen (Rili-BÄK) stellen an alle Systeme erhöhte Anforderungen, welche die analytische Güte einerseits fördern aber andererseits zu einem Rückschritt in der diagnostischen Versorgung von Menschen mit Diabetes führen könnten. Die in einer Laborreform vorgesehene Reduktion der Vergütung für die diagnostische Leistung bei der HbA1c-Bestimmung dürfte diese Situation weiter prägen.
Wie viel Notarzt brauchen wir? Eine retrospektive Analyse der Notarzt-Notwendigkeit anhand der NUN-Algorithmen
Authors: Brauckmann Vesta , Böttcher Christian , Flemming Andreas , Riecke Torben , Omar Mohamed , Macke Christian 
Published: February 2025

ZusammenfassungDie kontinuierlich steigende Anzahl von Rettungsdiensteinsätzen und
Notarztalarmierungen in Deutschland steht im Kontrast zu einem Mangel an Notärzten.
Die Verbesserung der Ausbildung von Notfallsanitätern in Deutschland spiegelt sich
in den beruflichen Vorschriften und operativen Algorithmen wider. Folglich ist die
Frage nach einer möglichen Überbeanspruchung von Notärzten Gegenstand kontroverser
Diskussionen.Ziel der Studie war zu analysieren, welche Notfalleinsätze ausschließlich von
Notfallsanitätern (NFS) ohne Notwendigkeit eines Notarztes (NA) durchgeführt werden
könnten, basierend auf den bereits vorhandenen Regelungen. Ein sekundäres Ziel war
die qualitative Bewertung basierend auf dem (M)-NACA-Score.Retrospektive Analyse aller Rettungsdienste im Jahr 2019 eines
Rettungshubschraubers (RTH) und eines bodengebundenen Notarzteinsatzfahrzeugs (NEF),
die mit Personal eines Maximalversorgers in Niedersachsen besetzt waren. Die
DIVI-Notarztprotokolle wurden überprüft, um Daten zu sammeln, und weiter
kategorisiert. Es erfolgte entweder die Einteilung in die NFS-Gruppe, basierend auf
dem M-NACA-Score und den für das Jahr 2019 geltenden NUN-Algorithmen, oder in die
NA-Gruppe.Die Gesamteinsätze beider Rettungsmittel beliefen sich im Kalenderjahr 2019 auf
n = 4123. 57,9% hätten ausschließlich von Notfallsanitätern unter Verwendung des
NUN-Algorithmus durchgeführt werden können. Unter Berücksichtigung des NACA-Scores
wurde bei über der Hälfte der verbleibenden NA-Gruppe, ein NACA-Score von I–III
festgestellt. Nur 18,5% aller Einsätze wurden retrospektiv als absolute Indikation
für einen NA angesehen (NEF 15,2%; RTH 25,5%).Im Rahmen dieser Studie konnte gezeigt werden, dass ein Großteil der als primär
notarztindiziert disponierten Rettungseinsätze durch Notfallsanitäter allein
übernommen werden könnten. Die derzeitigen Regelungen scheinen auf unterschiedlichen
Ebenen praktisch unzureichend umgesetzt zu sein, um eine Optimierung im
präklinischen Umfeld zu erreichen und bereits vorhandene Kompetenzen von
Notfallsanitätern zu nutzen.
A Rare Case Report of the Coexistence of Ipsilateral Burst Frontal Lobe, Acute-on-Chronic Subdural Hematoma, and Extradural Hematoma: Rarest in Occurrence
Authors: Agali Chetan Kumar 
Published: February 2025

AbstractBurst frontal lobe or frontal lobe contusion is commonly seen in road traffic accidents (RTA) or assault. Chronic subdural hematomas are seen in elderly patients with history of nonsteroidal anti-inflammatory drugs use, chronic alcohol intake, and antithrombotic and/or anticoagulant therapy. Extradural and acute subdural hematomas are often seen in young patients following RTA or trauma. The coexistence of all the above-mentioned conditions, that is, lobar contusion, acute-on-chronic subdural hematoma (SDH), and acute extradural hematoma (EDH), in a patient is rare. Based on the Glasgow Coma Scale and imaging findings, early surgical intervention was planned in our patient. Early surgical evacuation of contusion, acute-on-chronic SDH, and EDH, as was done in our patient, will lead to early recovery. Avoiding alcohol intake and use of helmets while riding motorcycles will lead to reduction of such RTA in future.
Electron-propagator methods versus experimental ionization energies
Authors: Opoku Ernest , Pawłowski Filip , Ortiz J. V. 
Published: February 2025

Select electron-propagator (EP) methods agree as closely with experimental standards for molecular vertical ionization energies as they do with computational data of nearly full-configuration-interaction quality. Several EP methods consistently attain higher accuracy than alternatives with equal arithmetic bottlenecks expressed in terms of occupied (O) and virtual (V) orbital dimensions. The cubically scaling methods realize a mean absolute error (MAE) below 0.2 eV and are feasible whenever conventional self-consistent-field calculations are performed. O2V3-scaling EP self-energies achieve an MAE slightly above 0.1 eV and are as feasible as conventional second-order perturbative calculations of total energies. OV4 methods are more accurate (MAEs ∼0.075 eV) than ΔCCSD(T) and are more efficient than third-order total-energy calculations. An equally accurate generalization with full self-energy matrices and non-iterative O2V4 contractions produces Dyson orbitals in their most general form. Composite EP models that accurately estimate the effects of basis-set saturation drastically improve efficiency without sacrificing accuracy. No adjustable parameters are employed in the self-energy formulas or in the generation of reference-state orbitals. When Dyson-orbital probability factors indicate that Koopmans’s theorem is qualitatively valid, simple perturbative corrections suffice to approach chemical accuracy.
L2 Chinese learning motivation and learning
strategies
Authors: Cheng Zhao , Zheng Mengjuan , Yan Yupeng , Zhu Chang 
Published: February 2025

Abstract
Given the increasing number of L2 Chinese learners in Europe, it
is critical to understand their learning motivation and strategies to support
successful Chinese acquisition. This study aims to explore learners’ motivation
for learning Chinese and examines how these relate to their learning strategies.
With a mixed research design, SPSS 28 was utilized for descriptive analysis,
Mplus 8.3 was employed for Confirmatory Factor Analysis (CFA), and STATA 18.0
was adopted for analysing the relationship between learning motivation and
learning strategies by a hierarchical regression model. In addition, MAXQDA2022
was employed for qualitative analysis of L2 Chinese learning motivation. The
findings highlight diverse motivation of European L2 Chinese learners and their
impact on the use of Chinese learning strategies. The study offers valuable
insights on Chinese learning motivation, various learning strategies and
provides implications for improving Chinese learning and teaching outcomes. It
also contributes to the understanding of how cultural background and
institutional contexts in Europe influence L2 Chinese learning, offering
guidance for refining strategies to promote Chinese language education in
European settings.
Novel essential oil extraction from the Himalayan
Hypericum oblongifolium
Wall. plant species and its analysis
Authors: Bhattacharya Riya , Bose Debajyoti , Laxmi Vijay , Ziyad Mohammad 
Published: February 2025

Abstract

Therapeutic potential of
Hypericum oblongifolium
from the biodiverse Himalayan region has not been widely reported. It is part of the Hypericum genus inhabiting the Western and Northern Himalayas. This work was aimed at extracting and analysing the chemical composition of essential oil (EO) from leaves of
H. oblongifolium
Wall. found in the Solan district of Himachal Pradesh in India. The EO content in the leaves of the
H. oblongifolium
was found to be 0.3% ± 0.07 v/w fresh weight. Gas chromatography-mass spectroscopy (GC-MS) analysis of
H. oblongifolium
EO or HOEO led to the identification of ten major compounds. Caryophyllene (18.97%) was the major constituent in HOEO, followed by α-pinene (18.79%) and α-cuprenene (17.59%). Both caryophyllene and α-cuprenene are a class of sesquiterpene. Caryophyllene has properties that can support the immune system, alleviate pain, with ability to work as an anti-inflammatory agent. α-Cuprenene is another potent terpene bio-factory with several medicinal properties. Further, α-pinene belongs to the terpene class of organic compounds with potent antimetastatic and apoptotic properties. This is the first report on the extraction of EO from
H. oblongifolium
. The properties of HOEO make it an ideal candidate for potential applications as a conventional drug alternative and in the cosmetic industry for its fragrance.
RED-SLAM: real-time and effective RGB-D SLAM with spatial-geometric observations and fast semantic perception for dynamic environments
Authors: Liu Hailin , Tian Lianfang , Du Qiliang , Duan Ruxiang 
Published: February 2025

Abstract
Most visual simultaneous localization and mapping (vSLAM) methods assume a static scene, limiting their effectiveness in complex, real-world dynamic environments. This paper presents RED-SLAM-a real-time dynamic visual SLAM method based on the ORB-SLAM3 framework for RGB-D sensors, designed to effectively address the impact of dynamic objects. RED-SLAM leverages spatial-geometric observations combined with semantic cues to identify dynamic points within the field of view, thereby utilizing only static points for state estimation. In the geometric verification module, the initial distinction between static and dynamic points is achieved by checking the spatial projection ray distance error based on the matching between map points and feature points. To conserve computational resources, semantic segmentation is performed exclusively on designated semantic frames, which are constructed based on the changes of dynamic objects. The detected dynamic semantic objects are subsequently spread to successive frames using a semantic propagation technique. All map points associated with dynamic semantic objects are excluded to further enhance the identification accuracy of dynamic map point. Compared to existing methods that apply semantic segmentation across all frames or keyframes, RED-SLAM only performs segmentation when dynamic objects change, improving system’s performance and efficiency. Experimental results on public datasets and real-world scenes demonstrate that our method enhances pose estimation accuracy in dynamic environments, achieving competitive accuracy compared to state-of-the-art methods, while maintaining reliable real-time performance.