bluuebunny/crossref_metadata_2025 huggingface dataset:
Genetic characterisation of Annona crassiflora as basis for conservation and breeding
Authors: Ferreira Maria Fernanda Maia , Silva Júnior Adelson Lemes da , Fernandes Sérgio Bruno , Souza Lucimara Cruz de , de Melo Lucas Amaral , Carvalho Dulcinéia de
Published: October 2024

Annona crassiflora is a fruit-bearing tree species native to the Cerrado that has ecological and economic potential, mainly due to the production of attractive and useful fruits for a number of species, including humans. To provide a basis for its conservation and breeding, the objective was to assess the diversity and genetic structure of natural populations of the species using inter-simple sequence repeat (ISSR) molecular markers. Eight populations were analysed in the state of Minas Gerais, Brazil, with 24 individuals randomly sampled in each population, reaching a total of 192 trees. Ten ISSR primers were used, resulting in high genetic diversity for the combined data (H* = 0.35 and I* = 0.52). However, a wide range of representative values was observed in the individual assessment of populations, with JAN, GM and MC standing out for their low genetic diversity, resulting in H* of 0.19, 0.23 and 0.24 and I* of 0.28, 0.34 and 0.35, respectively. An analysis of molecular variance showed greater variation within populations, indicating gene flow (Nm), but genetic differentiation between populations was moderate. Bayesian analysis, although resulting in four genetic groups, revealed the presence of a majority group for the GM and JAN populations. We propose measures to maintain these populations, such as raising awareness of local extractivism and planting genetically divergent seedlings. Furthermore, we recommend including of all populations in conservation and breeding programmes, aiming to cover the maximum genetic variation for the species.
Fuzzy Universality in Climate Change Litigation
Authors: Lees Emma , Gjaldbæk-Sverdrup Emilie
Published: October 2024

Climate change litigation is developing rapidly and pervasively, emerging as a space for legal innovation. Until now, this process has occurred mainly in national courts. The result is a decentralization of the interpretation of human rights relating to climate change. This article argues that such decentralization could, in principle, have a destabilizing impact on claims to the universality of human rights. However, close examination of this litigation shows that a prototype is emerging, certain features of which are becoming ‘hard wired’ through the process of judicial dialogue. By exploring the content of this prototype, its decentralized development, and its self-reinforcing nature, we see a legal space emerging in which environmental human rights sit between the universal and the contextual.
Does Gender Predict Research Productivity? The Case of Prolific Suicidologists
Authors: Stack Steven , Lester David
Published: October 2024

Abstract: Aims: While there is substantial literature on gender and research productivity, bearing mixed results, no study is available for suicidology. The present investigation fills this gap and focuses on an influential elite. Methods: Data are taken from the Web of Science (WoS). They refer to the most prolific suicidologists ( N = 116) with 70 or more works on the subject of suicide cited in WoS. Measures of research productivity include the number of works on suicide, citations to these works, and the h-index. The link between gender and the measures of research productivity is adjusted for years of experience, membership in a local research cluster, and region of the world. Results: Adjusting for the other predictors, males had more publications than females. However, gender did not predict either measure of quality of research (citations, h-index). Years of experience, as well as membership in a research cluster, predicted research productivity in most analyses. Region was unrelated to research productivity. Limitations: Further work on productivity might assess additional potential predictors including marital status, grant funding, and presence of young children. Conclusion: There is no significant difference between the genders in research quality. Similar results have been noted in previous work on prolific scientists.
Evidence of Subsurface Control on the Coevolution of Hillslope Morphology and Runoff Generation
Authors: Litwin David G. , Harman Ciaran J.
Published: October 2024

Topography is a key control on runoff generation, as topographic slope affects hydraulic gradients and curvature affects water flow paths. Simultaneously, runoff generation shapes topography through erosion, affecting landscape morphology over long timescales. Previous modeling efforts suggest that subsurface hydrological properties, relative to climate, are key mediators of this relationship. Specifically, when subsurface transmissivity and water storage capacity are low, (a) saturated areas and storm runoff should be larger and more variable, and (b) hillslopes shorter and lower relief, assuming other geomorphic factors are held constant. However, it remains uncertain whether subsurface properties can exert such strong controls on emergent properties in real landscapes. We compared emergent hydrological function and topography in two watersheds with very similar climatic and tectonic history, but very different subsurface properties due to contrasting bedrock lithology. We found that hillslopes were systematically shorter and saturated areas more dynamic at the lower transmissivity site. To test whether these features could be the result of coevolution between topography, hydrological function, and subsurface properties, we estimated all parameters of a coupled groundwater‐landscape evolution model for each site. Limitations were revealed in the model's ability to reproduce aspects of morphology and hydrologic behavior, however, model results suggested differences in hillslope length and variably saturated area between the sites could be explained by differences in subsurface properties, and not by differences in geomorphic process rates alone. This work demonstrates one way subsurface hydrology can profoundly affect landscape evolution.
Mechanisms of ferroptosis and targeted therapeutic approaches in urological malignancies
Authors: Ma Wenjie , Jiang Xiaotian , Jia Ruipeng , Li Yang
Published: October 2024

The prevalence of urological malignancies remains a significant global health concern, particularly given the challenging prognosis for patients in advanced disease stages. Consequently, there is a pressing need to explore the molecular mechanisms that regulate the development of urological malignancies to discover novel breakthroughs in diagnosis and treatment. Ferroptosis, characterized by iron-ion-dependent lipid peroxidation, is a form of programmed cell death (PCD) distinct from apoptosis, autophagy, and necrosis. Notably, lipid, iron, and glutathione metabolism intricately regulate intracellular ferroptosis, playing essential roles in the progression of various neoplasms and drug resistance. In recent years, ferroptosis has been found to be closely related to urological malignancies. This paper provides an overview of the involvement of ferroptosis in the pathogenesis and progression of urological malignancies, elucidates the molecular mechanisms governing its regulation, and synthesizes recent breakthroughs in diagnosing and treating these malignancies. We aim to provide a new direction for the clinical treatment of urological malignancies.
Elucidation of Spartina dimethylsulfoniopropionate synthesis genes enables engineering of stress tolerant plants
Authors: Payet Rocky D. , Bilham Lorelei J. , Kabir Shah Md Tamim , Monaco Serena , Norcott Ash R. , Allen Mellieha G. E. , Zhu Xiao-Yu , Davy Anthony J. , Brearley Charles A. , Todd Jonathan D. , Miller J. Benjamin
Published: October 2024

The organosulfur compound dimethylsulfoniopropionate (DMSP) has key roles in stress protection, global carbon and sulfur cycling, chemotaxis, and is a major source of climate-active gases. Saltmarshes are global hotspots for DMSP cycling due to Spartina cordgrasses that produce exceptionally high concentrations of DMSP. Here, in Spartina anglica, we identify the plant genes that underpin high-level DMSP synthesis: methionine S-methyltransferase (MMT), S-methylmethionine decarboxylase (SDC) and DMSP-amine oxidase (DOX). Homologs of these enzymes are common in plants, but differences in expression and catalytic efficiency explain why S. anglica accumulates such high DMSP concentrations and other plants only accumulate low concentrations. Furthermore, DMSP accumulation in S. anglica is consistent with DMSP having a role in oxidative and osmotic stress protection. Importantly, administration of DMSP by root uptake or over-expression of Spartina DMSP synthesis genes confers plant tolerance to salinity and drought offering a route for future bioengineering for sustainable crop production.
Genomic surveillance reveals a dengue 2 virus epidemic lineage with a marked decrease in sensitivity to Mosnodenvir
Authors: Bouzidi Hawa Sophia , Sen Selin , Piorkowski Géraldine , Pezzi Laura , Ayhan Nazli , Fontaine Albin , Canivez Thomas , Geulen Manon , Amaral Rayane , Grard Gilda , Durand Guillaume André , de Lamballerie Xavier , Touret Franck , Klitting Raphaëlle
Published: October 2024

Dengue fever is the most important arbovirosis for public health, with more than 5 million cases worldwide in 2023. Mosnodenvir is the first anti-dengue compound with very high preclinical pan-serotype activity, currently undergoing phase 2 clinical evaluation. Here, by analyzing dengue virus (DENV) genomes from the 2023-2024 epidemic in the French Caribbean Islands, we show that they all exhibit mutation NS4B:V91A, previously associated with a marked decrease in sensitivity to mosnodenvir in vitro. Using antiviral activity tests on four clinical and reverse-genetic strains, we confirm a marked decrease in mosnodenvir sensitivity for DENV-2 ( > 1000 fold). Finally, combining phylogenetic analysis and experimental testing for resistance, we find that virus lineages with low sensitivity to mosnodenvir due to the V91A mutation likely emerged multiple times over the last 30 years in DENV-2 and DENV-3. These results call for increased genomic surveillance, in particular to track lineages with resistance mutations. These efforts should allow to better assess the activity profile of DENV treatments in development against circulating strains.
Spatially resolved photoluminescence analysis of the role of Se in CdSexTe1−x thin films
Authors: Bowman A. R. , Leaver J. F. , Frohna K. , Stranks S. D. , Tagliabue G. , Major J. D.
Published: October 2024

Evidence from cross-sectional electron microscopy has previously shown that Se passivates defects in CdSexTe1−x solar cells, and that this is the reason for better lifetimes and voltages in these devices. Here, we utilise spatially resolved photoluminescence measurements of CdSexTe1−x thin films on glass to directly study the effects of Se on carrier recombination in the material, isolated from the impact of conductive interfaces and without the need to prepare cross-sections through the samples. We find further evidence to support Se passivation of grain boundaries, but also identify an increase in below-bandgap photoluminescence that indicates the presence of Se-enhanced defects in grain interiors. Our results show that whilst Se treatment, in tandem with Cl passivation, does increase radiative efficiencies in CdSexTe1−x, it simultaneously increases the defect content within the grain interiors. This suggests that although it is beneficial overall, Se incorporation will still limit the maximum attainable optoelectronic properties of CdSexTe1−x thin films.
Mycobacterial HelD connects RNA polymerase recycling with transcription initiation
Authors: Kovaľ Tomáš , Borah Nabajyoti , Sudzinová Petra , Brezovská Barbora , Šanderová Hana , Vaňková Hausnerová Viola , Křenková Alena , Hubálek Martin , Trundová Mária , Adámková Kristýna , Dušková Jarmila , Schwarz Marek , Wiedermannová Jana , Dohnálek Jan , Krásný Libor , Kouba Tomáš
Published: October 2024

Mycobacterial HelD is a transcription factor that recycles stalled RNAP by dissociating it from nucleic acids and, if present, from the antibiotic rifampicin. The rescued RNAP, however, must disengage from HelD to participate in subsequent rounds of transcription. The mechanism of release is unknown. We show that HelD from Mycobacterium smegmatis forms a complex with RNAP associated with the primary sigma factor σA and transcription factor RbpA but not CarD. We solve several structures of RNAP-σA-RbpA-HelD without and with promoter DNA. These snapshots capture HelD during transcription initiation, describing mechanistic aspects of HelD release from RNAP and its protective effect against rifampicin. Biochemical evidence supports these findings, defines the role of ATP binding and hydrolysis by HelD in the process, and confirms the rifampicin-protective effect of HelD. Collectively, these results show that when HelD is present during transcription initiation, the process is protected from rifampicin until the last possible moment.
Unmasking AlphaFold to integrate experiments and predictions in multimeric complexes
Authors: Mirabello Claudio , Wallner Björn , Nystedt Björn , Azinas Stavros , Carroni Marta
Published: October 2024

Since the release of AlphaFold, researchers have actively refined its predictions and attempted to integrate it into existing pipelines for determining protein structures. These efforts have introduced a number of functionalities and optimisations at the latest Critical Assessment of protein Structure Prediction edition (CASP15), resulting in a marked improvement in the prediction of multimeric protein structures. However, AlphaFold’s capability of predicting large protein complexes is still limited and integrating experimental data in the prediction pipeline is not straightforward. In this study, we introduce AF_unmasked to overcome these limitations. Our results demonstrate that AF_unmasked can integrate experimental information to build larger or hard to predict protein assemblies with high confidence. The resulting predictions can help interpret and augment experimental data. This approach generates high quality (DockQ score > 0.8) structures even when little to no evolutionary information is available and imperfect experimental structures are used as a starting point. AF_unmasked is developed and optimised to fill incomplete experimental structures (structural inpainting), which may provide insights into protein dynamics. In summary, AF_unmasked provides an easy-to-use method that efficiently integrates experiments to predict large protein complexes more confidently.
Demonstration of dual Shapiro steps in small Josephson junctions
Authors: Kaap Fabian , Kissling Christoph , Gaydamachenko Victor , Grünhaupt Lukas , Lotkhov Sergey
Published: October 2024

Bloch oscillations in small Josephson junctions were predicted theoretically as the quantum dual to Josephson oscillations. A significant consequence of this prediction is the emergence of quantized current steps, so-called dual Shapiro steps, when synchronizing Bloch oscillations to an external microwave signal. These steps potentially enable a fundamental standard of current I, defined via the frequency f of the external signal and the elementary charge e, I = ± n × 2ef, where n is a natural number. Here, we realize this fundamental relation by synchronizing the Bloch oscillations in small Al/AlOx/Al Josephson junctions to sinusoidal drives with frequencies from 1 to 6 GHz and observe dual Shapiro steps up to I ≈ 3 nA. Inspired by today’s voltage standards and to further confirm the duality relation, we investigate a pulsed drive regime and observe an asymmetric pattern of dual Shapiro steps. This work confirms quantum duality effects in Josephson junctions and paves the way towards a range of applications in quantum metrology based on well-established fabrication techniques and straightforward circuit design.
De novo production of protoberberine and benzophenanthridine alkaloids through metabolic engineering of yeast
Authors: Jiao Xiang , Fu Xiaozhi , Li Qishuang , Bu Junling , Liu Xiuyu , Savolainen Otto , Huang Luqi , Guo Juan , Nielsen Jens , Chen Yun
Published: October 2024

Protoberberine alkaloids and benzophenanthridine alkaloids (BZDAs) are subgroups of benzylisoquinoline alkaloids (BIAs), which represent a diverse class of plant-specialized natural metabolites with many pharmacological properties. Microbial biosynthesis has been allowed for accessibility and scalable production of high-value BIAs. Here, we engineer Saccharomyces cerevisiae to de novo produce a series of protoberberines and BZDAs, including palmatine, berberine, chelerythrine, sanguinarine and chelirubine. An ER compartmentalization strategy is developed to improve vacuole protein berberine bridge enzyme (BBE) activity, resulting in >200% increase on the production of the key intermediate (S)-scoulerine. Another promiscuous vacuole protein dihydrobenzophenanthridine oxidase (DBOX) has been identified to catalyze two-electron oxidation on various tetrahydroprotoberberines at N7-C8 position and dihydrobenzophenanthridine alkaloids. Furthermore, cytosolically expressed DBOX can alleviate the limitation on BBE. This study highlights the potential of microbial cell factories for the biosynthesis of a diverse group of BIAs through engineering of heterologous plant enzymes.
Structural basis for antibiotic transport and inhibition in PepT2
Authors: Parker Joanne L. , Deme Justin C. , Lichtinger Simon M. , Kuteyi Gabriel , Biggin Philip C. , Lea Susan M. , Newstead Simon
Published: October 2024

The uptake and elimination of beta-lactam antibiotics in the human body are facilitated by the proton-coupled peptide transporters PepT1 (SLC15A1) and PepT2 (SLC15A2). The mechanism by which SLC15 family transporters recognize and discriminate between different drug classes and dietary peptides remains unclear, hampering efforts to improve antibiotic pharmacokinetics through targeted drug design and delivery. Here, we present cryo-EM structures of the proton-coupled peptide transporter, PepT2 from Rattus norvegicus, in complex with the widely used beta-lactam antibiotics cefadroxil, amoxicillin and cloxacillin. Our structures, combined with pharmacophore mapping, molecular dynamics simulations and biochemical assays, establish the mechanism of beta-lactam antibiotic recognition and the important role of protonation in drug binding and transport.
Cycling of labile and recalcitrant carboxyl-rich alicyclic molecules and carbohydrates in Baffin Bay
Authors: McKee Kayla , Abdulla Hussain , O’Reilly Lauren , Walker Brett D.
Published: October 2024

Marine dissolved organic matter (DOM) is an important, actively cycling carbon reservoir (662 GtC). However, the chemical structure and cycling of DOM within rapidly warming, polar environments remains largely unconstrained. Previous studies have shown rapid surface cycling of carbohydrates as biologically-labile DOM (LDOM). Conversely, carboxyl-rich alicyclic molecules (CRAM) are often used as examples of biologically-recalcitrant DOM (RDOM). Traditional DOM isolation methods (e.g., ultrafiltration (10–30% of DOM) and solid-phase extraction (40–60% of DOM) induce chemical-, size- and compositional-bias – complicating inferences to total DOM cycling. Here, we use a total DOM proton (1H) nuclear magnetic resonance (NMR) spectroscopy method to show carbohydrates and CRAM have high concentrations in the surface ocean and low concentrations at depth in Baffin Bay. Between 21–43% of surface CRAM is removed at depth. These results suggest both CRAM and carbohydrates are major LDOM constituents – contradicting the existing CRAM cycling paradigm and further constraining the long-term persistence of deep ocean DOM.
Referral to pulmonary rehabilitation and palliative care services in people with idiopathic pulmonary fibrosis in England, 2010–2019
Authors: Morgan Ann D. , Khan Hakeem , George Peter M. , Quint Jennifer K.
Published: October 2024

The benefits of pulmonary rehabilitation (PR) and palliative care (PC) as non-pharmacological therapies for people with idiopathic pulmonary fibrosis (IPF) are increasingly being recognised but in the UK the proportion of people with this life-limiting condition who are referred to such services is thought to be low. This retrospective cohort study aimed to describe trends in referrals to PR and PC services among people with IPF over a 10-year period and to identify factors associated with non-referral. Our study cohort was drawn from the UK’s pseudonymised Clinical Practice Research Datalink (CPRD) Aurum primary care database and comprised 17,071 individuals diagnosed with IPF between 2010 and 2019. While 12.0% of IPF patients were offered a referral to PR, less than 2% completed a PR programme. Around a fifth (19.4%) received a referral to generic PC support services; however, this is well below reported PC referral rates for lung cancer patients. Moreover, the majority of PC referrals occurred late; among those who died, 31% were referred within a month and 70% within 6 months of death. Referrals to PR and PC had however increased (by around 2–fold and 4-fold, respectively) over the course of the study period. Factors associated with non-referral to PR included female sex, older age and co-diagnosis of dementia; barriers to PC referral included being female or of Asian or Black ethnicity. We also found evidence of regional differences in referrals. These findings confirm that PR and PC service provision for people with IPF across England is suboptimal.
Systems immunology approaches to study T cells in health and disease
Authors: Yang Aaron , Poholek Amanda C.
Published: October 2024

T cells are dynamically regulated immune cells that are implicated in a variety of diseases ranging from infection, cancer and autoimmunity. Recent advancements in sequencing methods have provided valuable insights in the transcriptional and epigenetic regulation of T cells in various disease settings. In this review, we identify the key sequencing-based methods that have been applied to understand the transcriptomic and epigenomic regulation of T cells in diseases.
PRN: progressive reasoning network and its image completion applications
Authors: Zhang Yongqin , Wang Xiaoyu , Zhu Panpan , Lu Xuan , Xiao Jinsheng , Zhou Wei , Li Zhan , Peng Xianlin
Published: October 2024

Ancient murals embody profound historical, cultural, scientific, and artistic values, yet many are afflicted with challenges such as pigment shedding or missing parts. While deep learning-based completion techniques have yielded remarkable results in restoring natural images, their application to damaged murals has been unsatisfactory due to data shifts and limited modeling efficacy. This paper proposes a novel progressive reasoning network designed specifically for mural image completion, inspired by the mural painting process. The proposed network comprises three key modules: a luminance reasoning module, a sketch reasoning module, and a color fusion module. The first two modules are based on the double-codec framework, designed to infer missing areas’ luminance and sketch information. The final module then utilizes a paired-associate learning approach to reconstruct the color image. This network utilizes two parallel, complementary pathways to estimate the luminance and sketch maps of a damaged mural. Subsequently, these two maps are combined to synthesize a complete color image. Experimental results indicate that the proposed network excels in restoring clearer structures and more vivid colors, surpassing current state-of-the-art methods in both quantitative and qualitative assessments for repairing damaged images. Our code and results will be publicly accessible athttps://github.com/albestobe/PRN.
The functional roles of zebrafish HoxA- and HoxD-related clusters in the pectoral fin development
Authors: Ishizaka Mizuki , Maeno Akiteru , Nakazawa Hidemichi , Fujii Renka , Oikawa Sae , Tani Taisei , Kanno Haruna , Koita Rina , Kawamura Akinori
Published: October 2024

The paralogs 9–13 Hox genes in mouse HoxA and HoxD clusters are critical for limb development. When both HoxA and HoxD clusters are deleted in mice, significant limb truncation is observed compared to the phenotypes of single and compound mutants of Hox9-13 genes in these clusters. In zebrafish, mutations in hox13 genes in HoxA- and HoxD-related clusters result in abnormal morphology of pectoral fins, homologous to forelimbs. However, the effect of the simultaneous deletions of entire HoxA- and HoxD-related clusters on pectoral fin development remains unknown. Here, we generated mutants with several combinations of hoxaa, hoxab, and hoxda cluster deletions and analyzed the pectoral fin development. In hoxaa−/−;hoxab−/−;hoxda−/− larvae, the endoskeletal disc and the fin-fold are significantly shortened in developing pectoral fins. In addition, we show that this anomaly is due to defects in the pectoral fin growth after the fin bud formation. Furthermore, in the surviving adult mutants, micro-CT scanning reveals defects in the posterior portion of the pectoral fin which is thought to represent latent regions of the limb. Our results further support that the functional role of HoxA and HoxD clusters is conserved in the paired appendage formation in bony fishes.
Application of physiological network mapping in the prediction of survival in critically ill patients with acute liver failure
Authors: Oyelade Tope , Moore Kevin P. , Mani Ali R.
Published: October 2024

Reduced functional connectivity of physiological systems is associated with poor prognosis in critically ill patients. However, physiological network analysis is not commonly used in clinical practice and awaits quantitative evidence. Acute liver failure (ALF) is associated with multiorgan failure and mortality. Prognostication in ALF is highly important for clinical management but is currently dependent on models that do not consider the interaction between organ systems. This study aims to examine whether physiological network analysis can predict survival in patients with ALF. Data from 640 adult patients admitted to the ICU for paracetamol-induced ALF were extracted from the MIMIC-III database. Parenclitic network analysis was performed on the routine biomarkers using 28-day survivors as reference population and network clusters were identified for survivors and non-survivors using k-clique percolation method. Network analysis showed that liver function biomarkers were more clustered in survivors than in non-survivors. Arterial pH was also found to cluster with serum creatinine and bicarbonate in survivors compared with non-survivors, where it clustered with respiratory nodes indicating physiologically distinctive compensatory mechanism. Deviation along the pH-bicarbonate and pH-creatinine axes significantly predicts mortality independent of current prognostic indicators. These results demonstrate that network analysis can provide pathophysiologic insight and predict survival in critically ill patients with ALF.
Hyaluronan nanoplatelets exhibit extended residence time compared to spherical and ellipsoidal nanomaterials with equivalent surface potentials and volumes after oral delivery in rats
Authors: Hadji Hicheme , Cailleau Catherine , Chassaing Benoit , Bourge Mickaël , Ponchel Gilles , Bouchemal Kawthar
Published: October 2024

Hyaluronan nanoplatelets exhibit extended residence time compared to spherical and ellipsoidal nanomaterials with equivalent surface potentials and volumes after oral delivery in rats. The nanoplatelets induced minimal toxicity in vitro and in vivo.
Cationic dinuclear complexes [M2(PCP)2μ-Cl][GaCl4] of the group 10 elements. metallophilic interactions and catalytic dehydrogenation of Me2NHBH3
Authors: Meyer Fabio , Puylaert Pim , Duvinage Daniel , Hupf Emanuel , Beckmann Jens
Published: October 2024

Transmetallation from a simple Ga precursor was the key for the preparation of cationic dinuclear complexes of group 10 metals. The Ni and Pt complexes are active in the dehydrogenation of Me2NHBH3, whereas the Pd complex is inactive.
Common ground and divergence: OLED emitters as photocatalysts
Authors: Grotjahn Sascha , König Burkhard
Published: October 2024

Many photocatalysts were initially developed or used as emitters for organic light emitting diodes (OLEDs). Requirements for photocatalysts and OLED emitters overlap in many aspects but diverge in some.
Is the protactinium(v) mono-oxo bond weaker than what we thought?
Authors: Shaaban Tamara , Oher Hanna , Aupiais Jean , Champion Julie , Gomes André Severo Peirera , Le Naour Claire , Maloubier Melody , Réal Florent , Renault Eric , Rocquefelte Xavier , Siberchicot Bruno , Vallet Valérie , Maurice Rémi
Published: October 2024

We use state-of-the-art solid-state and molecular quantum mechanical calculations to predict a longer Pa–O mono-oxo bond than what was reported in the literature.
Vacuum-ultraviolet irradiation of pyridine:acetylene ices relevant to Titan astrochemistry
Authors: Lopes Cavalcante Larissa , Czaplinski Ellen C. , Maynard-Casely Helen E. , Cable Morgan L. , Chaouche-Mechidal Naila , Hodyss Robert , Ennis Courtney
Published: October 2024

VUV irradiation of pyridine:acetylene ices facilitate NPAH and precursors formation at 18 K and 110 K, but not at 90 K. These results emphasize the role of solid-state phase stability in astrochemical processes relevant to Titan.
Time-pH and time-humidity scaling of ionic conductivity spectra of polyelectrolyte multilayers
Authors: Schlicke Jannis , Cramer Cornelia , Schönhoff Monika
Published: October 2024

In this systematic study, ionic conductivity spectra of poly(diallyl-dimethylammonium)/poly(acrylic acid) (PDADMA/PAA)n polyelectrolyte multilayers (PEMs) are investigated regarding superposition principles.
Dual defect sites at g-C3N4 synergistically induce the electron localization effect for boosting photocatalytic H2O2 production
Authors: Jiang Jingjing , Chen Yuyao , Zhou Shijian , Xie Haoran , Li Changlai , Wei Zheng , Kong Yan
Published: October 2024

Defect engineering (such as doping of non-metallic elements or vacancies) is a universally effective modification to improve the electronic structure and physical properties of g-C3N4, which has been widely applied in various photocatalytic systems.
Photo–thermo synergistic permanganate decomposition over a hydrolytically stable Co(ii)-MOF
Authors: Li Quan-Quan , Wang Huan-Xi , Deng Yi , Chen Si-Yu , Chen Yang , Cao Shi-Jie , Ye Qing-Wen , Bai Jing , Liu Hua
Published: October 2024

We developed an attractive approach for the effective and economical decomposition of the permanganate anion by utilizing a robust and highly water-stable 2D Co(ii)-MOF photo–thermo catalyst.
Two cobaltous PCPs: rapid catalytic degradation of POPs coupled with remarkable antibacterial and antifungal properties
Authors: Goswami Shyam , Ray Sourajyoti , Bharadwaj Kaushik Kumar , Majumder Soma , Bora Sanchay Jyoti
Published: October 2024

Two cobalt-based porous coordination polymers (PCPs): [Co3(BTC)2(H2O)12]n (1) and [Co3(BTC)2(DMP)8]n (2) exhibit rapid catalytic degradation of POPs viz. dyes and nitroaromatics along with remarkable antimicrobial activities.
Achieving high performance triboelectric nanogenerators simultaneously with high-voltage and high-charge energy cycle
Authors: Gao Yikui , Liu Jiaqi , Zhou Linglin , He Lixia , Liu Di , Yang Peiyuan , Jin Bingzhe , Wang Zhong Lin , Wang Jie
Published: October 2024

This work achieves a high-voltage and high-charge energy cycle for TENGs, as well as lossless energy transmission between TENGs and PMCs.
Microenvironment engineering of covalent organic framework based single/dual-atom catalysts toward sustainable energy conversion and storage
Authors: Wang Ligang , Li Jialu , Ji Shufang , Xiong Yuli , Wang Dingsheng
Published: October 2024

The recent advances in design principles, synthetic strategies, advanced characterization techniques and promising applications of state-of-the-art COF-based SACs/DACs were comprehensively discussed and explored.
Sustainable nanocarriers fabricated via a dipeptide-based co-assembly approach for enhancing the delivery and translocation of herbicides
Authors: Zheng Zirui , Yang Ziyun , Meng Zehua , Liu Siyang , Wu Tianyue , He Chengyi , Zhang Chenhui , Ma Chen , Gao Yuxia , Du Fengpei
Published: October 2024

Sustainable herbicide-loaded nanocarriers with pH-responsiveness, good translocation and herbicidal activity were fabricated using a supramolecular assembly approach.
Human breast milk-derived phospholipid DOPE ameliorates intestinal injury associated with NEC by inhibiting ferroptosis
Authors: Chen Yanjie , Chen Wenjuan , Dai Yu , Yan Xiangyun , Jiang Chengyao , Zhang Fan , Zhang Min , Hu Xiaoshan , Zhao Juyi , Wu Tingyue , Li Shushu , Han Shuping , Chen Xiaohui
Published: October 2024

Human breast milk-derived dioleoyl phosphatidylethanolamine (DOPE) mitigates intestinal dysfunction in Necrotizing Enterocolitis (NEC) through the suppression of ferroptosis.
Pentadecanoic acid (C15:0, PA) induces mild maternal glucose intolerance and promotes the growth of the offspring partly through up-regulating liver PPARα and MAPK signaling pathways
Authors: Wang Jun , Zheng Shiqi , Li Ziying , Tang Yimei , Huang Yanhua , Wang Junwen , Li Rui , Peng Jie
Published: October 2024

1% PA can induce a mild decrease in the maternal glucose tolerance and lipolysis mainly by activated MAPK and PPARα signaling.
Light-induced isomerization of quinoline-N-oxide derivatives through Zn-catalysis: a photochemical approach for synthesizing 2-quinolinone derivatives
Authors: Yu Xiaoqiang , Yang Sana , Yan Ning , Fu Yukang , Li Yang , Wang Wanhui , Bao Ming
Published: October 2024

The light-induced Zn-catalyzed isomerization of quinoline-N-oxides proceeded smoothly to afford 2-quinolinone derivatives via intramolecular hydrogen and oxygen transfer.
Stretchable and conductive polyacrylamide/sodium alginate dual-network hydrogels mediated by HNO3 for flexible capacitors and wearable sensors
Authors: Liu Xiang , Li Weiyi , Wang Ping , Xing Zheng
Published: October 2024

This work proposes a method mediated by HNO3 to enhance the hydrogen bonding within the network, effectively improving the mechanical strength and conductivity of the hydrogel.
Engineering a dual-loop molecular circuit with buffering capability to solve molecular information tasks
Authors: Liu Xin , Cui Shuang , Zhang Xun , Yao Yao , Zhang Bang , Wang Bin , Zhang Qiang
Published: October 2024

An exonuclease-driven fan-out molecular device was applied to construct a dual-loop molecular circuit with the colorimetric output of dual pulse signals solving the molecular information tasks.
Effect of SiO2 nanofluid concentration on micro-mechanical weakening behavior of coal
Authors: Zou Quanle , Xu Bochao , Wang Weizhi , Hu Yulin , Liu Ting , Li Qingsong , Ma Tengfei , Zheng Haolong , Huo Zixuan
Published: October 2024

The SiO2 nanofluids enhance coal wettability by promoting hydrogen bond formation, increasing hydrophilicity and water absorption. This weakens coal cohesion, causing softening.
Heterodimeric diketopiperazine alkaloids from Penicillium expansum MA147 and their cytotoxicity
Authors: Li Jing , Wang Jing , Zhou Xi , Wu Xiao-Qian , Li Yan , Yuan Yi-Yun , Lu Wen-Yu , Liang Ai-Lin , Xu Peng-Ju , Wang Wen-Xuan
Published: October 2024

Four novel heterodimeric diketopiperazine alkaloids from Penicillium expansum MA147, with cytotoxicity against triple-negative breast cancer cell line by enhancing cholesterol efflux.
Second-shell modulation on porphyrin-like Pt single atom catalysts for boosting oxygen reduction reaction
Authors: Najam Tayyaba , Shah Syed Shoaib Ahmad , Yin Hanqing , Xiao Xin , Talib Shamraiz , Ji Qianqian , Deng Yonggui , Javed Muhammad Sufyan , Hu Jie , Zhao Ruo , Du Aijun , Cai Xingke , Xu Qiang
Published: October 2024

A strategy is developed to modulate the second coordination shell of porphyrin-like Pt single atoms by P atom, which enhances its intrinsic ORR performance and anti-poisoning effect towards ClO4− in solution.
Chiral ionic organic single-crystal and its exfoliated two-dimensional nanosheets with enhanced enantioseparation
Authors: Liu Huifeng , He Yongrui , Chen Jia , Qu Xiaoqing , He Jing , Chen Xuwei , Wang Jianhua , Qiu Hongdeng
Published: October 2024

Chiral ionic organic single-crystal (CIOC) were prepared for the first time via ionic self-assembly using organic anions and cations. Interestingly, the CIOC can be ultrasonically exfoliated to 2D nanosheets and exhibit enhanced enantioseparation.
Pd/C-catalyzed regiodivergent hydrocarboxylation and esterification of alkynes
Authors: Mehara Pushkar , Sharma Poonam , Bains Rohit , Sharma Ajay Kumar , Das Pralay
Published: October 2024

A Pd/C-catalyzed regiodivergent hydrocarboxylation of terminal alkynes to cinnamic and acrylic acids as well as hydroxy/alkoxy carbonylation of internal alkynes to α,β-unsaturated acids/esters have been devised using oxalic acid as a CO source.
Model predictive control of non-interacting active Brownian particles
Authors: Quah Titus , Modica Kevin J. , Rawlings James B. , Takatori Sho C.
Published: October 2024

Model predictive control is used to guide the spatiotemporal distribution of active Brownian particles by forecasting future states and optimizing control inputs to achieve tasks like dividing a population into two groups.
The surface diffusivity of nanoparticles physically adsorbed at a solid–liquid interface
Authors: Singletary Troy , Iranmanesh Nima , Colosqui Carlos E.
Published: October 2024

This work proposes an analytical model considering the effects of hydrodynamic drag and energy barriers induced by liquid solvation forces to predict the in-plane translational diffusivity of a nanoparticle physically adsorbed on a wetted surface.
Segregative phase separation of strong polyelectrolyte complexes at high salt and high polymer concentrations
Authors: Chee Conner H. , Benharush Rotem , Knight Lexi R. , Laaser Jennifer E.
Published: October 2024

Complexes of strong polyelectrolytes prepared well above the binodal are shown to undergo hydrophobicity-driven segregative phase separation.
Composite oxide cooling pigments mitigate the impact of urban heat islands
Authors: Darshan G. P. , Arjun Akshay , Premkumar H. B. , Moretti Elisa , Vomiero Alberto
Published: October 2024

The NIR reflective cooling nano-pigments are energy-efficient solution for mitigating urban heat islands.
Au-modified Cu2O nanocubes for light-enhanced nitrate electroreduction to ammonia
Authors: Yang Yi-Ting , Wang Xiao-Hui , Zhang Ze-Nong , Ai Xuan , Xiao Xue , Chen Yu , Li Shu-Ni
Published: October 2024

As an alternative to the traditional ammonia (NH3) synthesis method, the electrochemical reduction reaction of nitrate (NO3−RR) for NH3 production not only mitigates nitrate pollution but also yields economically valuable NH3.
A two-dimensional lead-free double perovskite for self-powered and high performance X-ray detection
Authors: Zhou Yongqiang , Huang Lei , Wu Mengyue , Kuang Faguang , An Kang , Feng Peng , He Peng , Pu Yayun , Lai Jun’an , Tang Xiaosheng
Published: October 2024

Two-dimensional Dion–Jacobson (DJ) phase hybrid perovskites are gradually coming to the stage of optoelectronic devices because of their excellent photoelectric properties.
A hybrid particle swarm optimisation for flexible casting job shop scheduling problem with batch processing machine
Authors: Zhang Wei , Zhuang Mengzhen , Tang Hongtao , Li Xinyu , Guo Shunsheng
Published: October 2024

A flexible casting job shop scheduling problem (FCJSP) with batch processing machines is proposed based on the analysis of the flexible job shop scheduling problem (FJSP) and the study of the expendable casting process. Considering the makespan under the influence of the energy consumption, the authors apply the time execution window to the FCJSP model in conjunction with the characteristics of casting production. A hybrid particle swarm optimisation algorithm (HPSO) is developed to solve the FCJSP. The HPSO employs a block integration decoding rule to address scheduling integration. Particle swarm optimisation is used for global search, employing both discrete and continuous search strategies. Furthermore, the local search employs tabu search with neighbourhood operations based on knowledge‐driven techniques. Simulation experiments demonstrate the feasibility of the proposed optimisation model. In the end, the HPSO algorithm has been successfully applied to the real expendable casting scheduling. The results demonstrate that it is more efficient and robust than previously reported algorithms.
Augmented ɛ‐constraint‐based matheuristic methodology for Bi‐objective production scheduling problems
Authors: Fan Jiaxin
Published: October 2024

Matheuristic is an optimisation methodology that integrates mathematical approaches and heuristics to address intractable combinatorial optimisation problems, where a common framework is to insert mixed integer linear programming (MILP) models as local search functions for evolutionary algorithms. However, since a mathematical programming formulation only tries to find the solution with the best objective value, matheuristics are rarely adopted to multi‐objective scenarios asking for a set of Pareto optimal solutions, for example, vehicle routing problems and production scheduling problems. In this situation, the ɛ‐constraint, which transforms multi‐objective problems into single‐objective formulations by considering selected objectives as constraints, seems to be a promising approach. First, an augmented ɛ‐constraint‐based matheuristic methodology (ɛ‐MH) is proposed to apply the idea of ɛ‐constraint to embedded MILP models, so that Pareto fronts obtained by meta‐heuristics can be further improved by solving a set of MILP models. Afterwards, four speed‐up strategies are developed to alleviate the computational burden resulting from repeatedly solving mathematical formulations, which also imply preferable scenarios for taking advantages of the ɛ‐MH. Finally, several real‐world bi‐objective scheduling problems are discussed to present potential applications for the proposed methodology.
Resource‐adaptive and OOD‐robust inference of deep neural networks on IoT devices
Authors: Robertson Cailen , Tong Ngoc Anh , Nguyen Thanh Toan , Hung Nguyen Quoc Viet , Jo Jun
Published: October 2024

Efficiently executing inference tasks of deep neural networks on devices with limited resources poses a significant load in IoT systems. To alleviate the load, one innovative method is branching that adds extra layers with classification exits to a pre‐trained model, enabling inputs with high‐confidence predictions to exit early, thus reducing inference cost. However, branching networks, not originally tailored for IoT environments, are susceptible to noisy and out‐of‐distribution (OOD) data, and they demand additional training for optimal performance. The authors introduce BrevisNet, a novel branching methodology designed for creating on‐device branching models that are both resource‐adaptive and noise‐robust for IoT applications. The method leverages the refined uncertainty estimation capabilities of Dirichlet distributions for classification predictions, combined with the superior OOD detection of energy‐based models. The authors propose a unique training approach and thresholding technique that enhances the precision of branch predictions, offering robustness against noise and OOD inputs. The findings demonstrate that BrevisNet surpasses existing branching techniques in training efficiency, accuracy, overall performance, and robustness.
Finite‐time lag bipartite synchronization of double‐layer networks with non‐linear coupling strength and random coupling delays via T‐S fuzzy logic theory
Authors: Yang Degang , Liang Tao , Zhang Wanli
Published: October 2024

This article discusses finite‐time lag bipartite (FETLB) synchronization of double‐layer networks with non‐linear coupling strength and multiple time delays. The cooperative and competitive interactions between nodes are considered based on signed graphs. To address the non‐linear couplings strength, the T‐S fuzzy logic theory is used. An intermittent control approach is introduced to achieve FETLB synchronization, effectively minimizing control costs. Moreover, by the Lyapunov functional method, we derive criteria for achieving FETLB synchronization and provide estimations for the synchronization settling time. In addition, numerical simulation affirms the validity of the theoretical findings, showcasing the practical application of the synchronization results in secure communication.
A learning‐based hierarchical energy management control strategy for hybrid electric vehicles
Authors: Chen Yanfang , Li Xuefang
Published: October 2024

In this work, a novel energy management control framework is developed for hybrid electric vehicles (HEVs) driving in car‐following scenarios. In order to enhance the energy efficiency while maintaining the driving safety, a hierarchical control approach consisting of an upper level speed tracking control scheme and a lower level energy management control strategy is proposed. For the upper level tracking control system, an iterative learning model predictive control (ILMPC) scheme is developed to guarantee the tracking performance and the driving safety simultaneously. Additionally, a model predictive control (MPC) algorithm is adopted at the lower level to optimize the torque distribution in real‐time based on the driving cycles generated by the upper level control system. With the proposed hierarchical control framework, HEVs are able to improve the energy efficiency significantly by taking the advantages of the operational repeatability. The convergence of the proposed control strategy is analyzed rigorously, and its effectiveness is illustrated through numerical simulations.
A Bi‐level stacked LSTM‐DNN‐based decoder network for AGC dispatch under regulation market framework in presence of VPP and EV aggregators
Authors: Roy Kingshuk , Debbarma Sanjoy , Roy Siddhartha Deb , Debbarma Liza
Published: October 2024

The consideration of mileage settlement in the frequency regulation market has encouraged fast‐acting units, such as converter‐interfaced generators (CIG) and electric vehicle stations, to actively participate in load‐generation balancing through automatic generation control (AGC). Conventional frequency regulation faces challenges in coping with the growing variability of CIGs and also lacks effective incentives for rapid‐responding units. In this context, a bi‐level AGC dispatch approach based on a stacked long short‐term memory (LSTM)‐deep neural network (DNN)‐based decoder framework is proposed for a power system comprising diverse CIGs forming a virtual power plant and electric vehicle aggregators. The proposed decoder network is comprised of stacked LSTM and DNN, wherein the cascaded LSTM layers are introduced to accurately capture temporal information from time series input. The inclusion of a dropout mechanism further enhances the model’s generalisability in unforeseen environments. The proposed dispatch framework uses mileage‐based compensation criteria to optimally allocate instructions among various participating units with differing regulation characteristics. The performance of the proposed method is analysed by considering packet loss, delay, unexpected generation failure, and denial of service attacks. The evaluation of the proposed approach reveals its superior performance compared to proportionality, particle swarm optimisation, decision tree, and DNN methods.