bluuebunny/crossref_metadata_2025 huggingface dataset:
The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM
Authors: Takahashi Katsuya , Lee Yongchan , Fago Angela , Bautista Naim M. , Storz Jay F. , Kawamoto Akihiro , Kurisu Genji , Nishizawa Tomohiro , Tame Jeremy R. H.
Published: August 2024

The principal effect controlling the oxygen affinity of vertebrate haemoglobins (Hbs) is the allosteric switch between R and T forms with relatively high and low oxygen affinity respectively. Uniquely among jawed vertebrates, crocodilians possess Hb that shows a profound drop in oxygen affinity in the presence of bicarbonate ions. This allows them to stay underwater for extended periods by consuming almost all the oxygen present in the blood-stream, as metabolism releases carbon dioxide, whose conversion to bicarbonate and hydrogen ions is catalysed by carbonic anhydrase. Despite the apparent universal utility of bicarbonate as an allosteric regulator of Hb, this property evolved only in crocodilians. We report here the molecular structures of both human and a crocodilian Hb in the deoxy and liganded states, solved by cryo-electron microscopy. We reveal the precise interactions between two bicarbonate ions and the crocodilian protein at symmetry-related sites found only in the T state. No other known effector of vertebrate Hbs binds anywhere near these sites.
Climate change is associated with higher phytoplankton biomass and longer blooms in the West Antarctic Peninsula
Authors: Ferreira Afonso , Mendes Carlos R. B. , Costa Raul R. , Brotas Vanda , Tavano Virginia M. , Guerreiro Catarina V. , Secchi Eduardo R. , Brito Ana C.
Published: August 2024

The Antarctic Peninsula (West Antarctica) marine ecosystem has undergone substantial changes due to climate-induced shifts in atmospheric and oceanic temperatures since the 1950s. Using 25 years of satellite data (1998-2022), this study presents evidence that phytoplankton biomass and bloom phenology in the West Antarctic Peninsula are significantly changing as a response to anthropogenic climate change. Enhanced phytoplankton biomass was observed along the West Antarctic Peninsula, particularly in the early austral autumn, resulting in longer blooms. Long-term sea ice decline was identified as the main driver enabling phytoplankton growth in early spring and autumn, in parallel with a recent intensification of the Southern Annular Mode (2010-ongoing), which was observed to influence regional variability. Our findings contribute to the understanding of the complex interplay between environmental changes and phytoplankton responses in this climatically key region of the Southern Ocean and raise important questions regarding the far-reaching consequences that these ecological changes may have on global carbon sequestration and Antarctic food webs in the future.
Phenotypic heterogeneity follows a growth-viability tradeoff in response to amino acid identity
Authors: Shabestary Kiyan , Klemm Cinzia , Carling Benedict , Marshall James , Savigny Juline , Storch Marko , Ledesma-Amaro Rodrigo
Published: August 2024

In their natural environments, microorganisms mainly operate at suboptimal growth conditions with fluctuations in nutrient abundance. The resulting cellular adaptation is subject to conflicting tasks: growth or survival maximisation. Here, we study this adaptation by systematically measuring the impact of a nitrogen downshift to 24 nitrogen sources on cellular metabolism at the single-cell level. Saccharomyces lineages grown in rich media and exposed to a nitrogen downshift gradually differentiate to form two subpopulations of different cell sizes where one favours growth while the other favours viability with an extended chronological lifespan. This differentiation is asymmetrical with daughter cells representing the new differentiated state with increased viability. We characterise the metabolic response of the subpopulations using RNA sequencing, metabolic biosensors and a transcription factor-tagged GFP library coupled to high-throughput microscopy, imaging more than 800,000 cells. We find that the subpopulation with increased viability is associated with a dormant quiescent state displaying differences in MAPK signalling. Depending on the identity of the nitrogen source present, differentiation into the quiescent state can be actively maintained, attenuated, or aborted. These results establish amino acids as important signalling molecules for the formation of genetically identical subpopulations, involved in chronological lifespan and growth rate determination.
Evaluating batch correction methods for image-based cell profiling
Authors: Arevalo John , Su Ellen , Ewald Jessica D. , van Dijk Robert , Carpenter Anne E. , Singh Shantanu
Published: August 2024

High-throughput image-based profiling platforms are powerful technologies capable of collecting data from billions of cells exposed to thousands of perturbations in a time- and cost-effective manner. Therefore, image-based profiling data has been increasingly used for diverse biological applications, such as predicting drug mechanism of action or gene function. However, batch effects severely limit community-wide efforts to integrate and interpret image-based profiling data collected across different laboratories and equipment. To address this problem, we benchmark ten high-performing single-cell RNA sequencing (scRNA-seq) batch correction techniques, representing diverse approaches, using a newly released Cell Painting dataset, JUMP. We focus on five scenarios with varying complexity, ranging from batches prepared in a single lab over time to batches imaged using different microscopes in multiple labs. We find that Harmony and Seurat RPCA are noteworthy, consistently ranking among the top three methods for all tested scenarios while maintaining computational efficiency. Our proposed framework, benchmark, and metrics can be used to assess new batch correction methods in the future. This work paves the way for improvements that enable the community to make the best use of public Cell Painting data for scientific discovery.
Going beyond gadgets: the importance of scalability for analogue quantum simulators
Authors: Harley Dylan , Datta Ishaun , Klausen Frederik Ravn , Bluhm Andreas , França Daniel Stilck , Werner Albert H. , Christandl Matthias
Published: August 2024

Quantum hardware has the potential to efficiently solve computationally difficult problems in physics and chemistry to reap enormous practical rewards. Analogue quantum simulation accomplishes this by using the dynamics of a controlled many-body system to mimic those of another system; such a method is feasible on near-term devices. We show that previous theoretical approaches to analogue quantum simulation suffer from fundamental barriers which prohibit scalable experimental implementation. By introducing a new mathematical framework and going beyond the usual toolbox of Hamiltonian complexity theory with an additional resource of engineered dissipation, we show that these barriers can be overcome. This provides a powerful new perspective for the rigorous study of analogue quantum simulators.
Quantum advantage and stability to errors in analogue quantum simulators
Authors: Trivedi Rahul , Franco Rubio Adrian , Cirac J. Ignacio
Published: August 2024

Several quantum hardware platforms, while being unable to perform fully fault-tolerant quantum computation, can still be operated as analogue quantum simulators for addressing many-body problems. However, due to the presence of errors, it is not clear to what extent those devices can provide us with an advantage with respect to classical computers. In this work, we make progress on this problem for noisy analogue quantum simulators computing physically relevant properties of many-body systems both in equilibrium and undergoing dynamics. We first formulate a system-size independent notion of stability against extensive errors, which we prove for Gaussian fermion models, as well as for a restricted class of spin systems. Remarkably, for the Gaussian fermion models, our analysis shows the stability of critical models which have long-range correlations. Furthermore, we analyze how this stability may lead to a quantum advantage, for the problem of computing the thermodynamic limit of many-body models, in the presence of a constant error rate and without any explicit error correction.
Accelerated discovery of perovskite solid solutions through automated materials synthesis and characterization
Authors: Omidvar Mojan , Zhang Hangfeng , Ihalage Achintha Avin , Saunders Theo Graves , Giddens Henry , Forrester Michael , Haq Sajad , Hao Yang
Published: August 2024

Accelerating perovskite solid solution discovery and sustainable synthesis is crucial for addressing challenges in wireless communication and biosensors. However, the vast array of chemical compositions and their dependence on factors such as crystal structure, and sintering temperature require time-consuming manual processes. To overcome these constraints, we introduce an automated materials discovery approach encompassing machine learning (ML) assisted material screening, robotic synthesis, and high-throughput characterization. Our proposed platform for rapid sintering and dielectric analysis streamlines the characterization of perovskites and the discovery of disordered materials. The setup has been successfully validated, demonstrating processing materials within minutes, in stark contrast to conventional procedures that can take hours or days. Following setup validation with established samples, we showcase synthesizing single-phase solid solutions within the barium family, such as (BaxSr1-x)CeO3, identified through ML-guided chemistry.
The 4.2 ka event is not remarkable in the context of Holocene climate variability
Authors: McKay Nicholas P. , Kaufman Darrell S. , Arcusa Stéphanie H. , Kolus Hannah R. , Edge David C. , Erb Michael P. , Hancock Chris L. , Routson Cody C. , Żarczyński Maurycy , Marshall Leah P. , Roberts Georgia K. , Telles Frank
Published: August 2024

The “4.2 ka event” is a commonly described abrupt climate excursion that occurred about 4200 years ago. However, the extent to which this event is coherent across regional and larger scales is unclear. To objectively assess climate excursions in the Holocene we compile 1142 paleoclimate datasets that span all continents and oceans and include a wide variety of archive and proxy types. We analyze these data to determine the timing, significance and spatial imprint of climate excursions using an objective method that quantifies local, regional and global significance. Site-level excursions in temperature and hydroclimate are common throughout the Holocene, but significant global-scale excursions are rare. The most prominent excursion occurred 8200 years ago, when cold and dry conditions formed a large, significant excursion centered in the North Atlantic. We find additional significant excursions between 1600 and 1000 years ago, which agree with tree-ring data and annual-scale paleoclimate reconstructions, adding confidence and context to our findings. In contrast, although some datasets show significant climate excursions 4200 years ago, they do not occur in large, coherent spatial regions. Consequently, like most other periods in the Holocene, the “4.2 ka event” is not a globally significant climate excursion.
Single-cell RNA sequencing reveals placental response under environmental stress
Authors: Van Buren Eric , Azzara David , Rangel-Moreno Javier , Garcia-Hernandez Maria de la Luz , Murphy Shawn P. , Cohen Ethan D. , Lewis Ethan , Lin Xihong , Park Hae-Ryung
Published: August 2024

The placenta is crucial for fetal development, yet the impact of environmental stressors such as arsenic exposure remains poorly understood. We apply single-cell RNA sequencing to analyze the response of the mouse placenta to arsenic, revealing cell-type-specific gene expression, function, and pathological changes. Notably, the Prap1 gene, which encodes proline-rich acidic protein 1 (PRAP1), is significantly upregulated in 26 placental cell types including various trophoblast cells. Our study shows a female-biased increase in PRAP1 in response to arsenic and localizes it in the placenta. In vitro and ex vivo experiments confirm PRAP1 upregulation following arsenic treatment and demonstrate that recombinant PRAP1 protein reduces arsenic-induced cytotoxicity and downregulates cell cycle pathways in human trophoblast cells. Moreover, PRAP1 knockdown differentially affects cell cycle processes, proliferation, and cell death depending on the presence of arsenic. Our findings provide insights into the placental response to environmental stress, offering potential preventative and therapeutic approaches for environment-related adverse outcomes in mothers and children.
MEILB2-BRME1 forms a V-shaped DNA clamp upon BRCA2-binding in meiotic recombination
Authors: Gurusaran Manickam , Zhang Jingjing , Zhang Kexin , Shibuya Hiroki , Davies Owen R.
Published: August 2024

DNA double-strand break repair by homologous recombination has a specialised role in meiosis by generating crossovers that enable the formation of haploid germ cells. This requires meiosis-specific MEILB2-BRME1, which interacts with BRCA2 to facilitate loading of recombinases onto resected DNA ends. Here, we report the crystal structure of the MEILB2-BRME1 2:2 core complex, revealing a parallel four-helical assembly that recruits BRME1 to meiotic double-strand breaks in vivo. It forms an N-terminal β-cap that binds to DNA, and a MEILB2 coiled-coil that bridges to C-terminal ARM domains. Upon BRCA2-binding, MEILB2-BRME1 2:2 complexes dimerize into a V-shaped 2:4:4 complex, with rod-like MEILB2-BRME1 components arranged at right-angles. The β-caps located at the tips of the MEILB2-BRME1 limbs are separated by 25 nm, allowing them to bridge between DNA molecules. Thus, we propose that BRCA2 induces MEILB2-BRME1 to function as a DNA clamp, connecting resected DNA ends or homologous chromosomes to facilitate meiotic recombination.
Engineering of a mammalian VMAT2 for cryo-EM analysis results in non-canonical protein folding
Authors: Lyu Ying , Fu Chunting , Ma Haiyun , Su Zhaoming , Sun Ziyi , Zhou Xiaoming
Published: August 2024

Vesicular monoamine transporter 2 (VMAT2) belongs to the major facilitator superfamily (MFS), and mediates cytoplasmic monoamine packaging into presynaptic vesicles. Here, we present two cryo-EM structures of VMAT2, with a frog VMAT2 adopting a canonical MFS fold and an engineered sheep VMAT2 adopting a non-canonical fold. Both VMAT2 proteins mediate uptake of a selective fluorescent VMAT2 substrate into cells. Molecular docking, substrate binding and transport analysis reveal potential substrate binding mechanism in VMAT2. Meanwhile, caution is advised when interpreting engineered membrane protein structures.
Regio‐ and enantioselective nickel-alkyl catalyzed hydroalkylation of alkynes
Authors: Gao Qian , Xu Wei-Cheng , Nie Xuan , Bian Kang-Jie , Yuan Hong-Rui , Zhang Wen , Wu Bing-Bing , Wang Xi-Sheng
Published: August 2024

The migratory insertion of metal-hydride into alkene has allowed regioselective access to organometallics, readily participating in subsequent functionalization as one conventional pathway of hydroalkylation, whereas analogous process with feedstock alkyne is drastically less explored. Among few examples, the regioselectivity of metal-hydride insertion is mostly governed by electronic bias of alkynes. To alter the regioselectivity and drastically expand the intermediate pools that we can access, one aspirational design is through alternative nickel-alkyl insertion, providing opposite regioselectivity induced by steric demand. Leveraging in situ formed nickel-alkyl species, we herein report the regio- and enantioselective hydroalkylation of alkynes with broad functional group tolerance, excellent regio- and enantioselectivity, enabling efficient route to diverse valuable chiral allylic amines motifs. Preliminary mechanistic studies indicate the aminoalkyl radical species can participate in metal-capture and lead to formation of nickel-alkyl, of which the migratory insertion is key to reverse regioselectivity observed in metal-hydride insertion.
Atomic resolution coherent x-ray imaging with physics-based phase retrieval
Authors: Meziere Jason , Carpenter Abigail Hardy , Pateras Anastasios , Harder Ross , Sandberg Richard L.
Published: August 2024

Coherent x-ray imaging and scattering from accelerator based sources such as synchrotrons continue to impact biology, medicine, technology, and materials science. Many synchrotrons around the world are currently undergoing major upgrades to increase their available coherent x-ray flux by approximately two orders of magnitude. The improvement of synchrotrons may enable imaging of materials in operando at the atomic scale which may revolutionize battery and catalysis technologies. Current algorithms used for phase retrieval in coherent x-ray imaging are based on the projection onto sets method. These traditional iterative phase retrieval methods will become more computationally expensive as they push towards atomic resolution and may struggle to converge. Additionally, these methods do not incorporate physical information that may additionally constrain the solution. In this work, we present an algorithm which incorporates molecular dynamics into Bragg coherent diffraction imaging (BCDI). This algorithm, which we call PRAMMol (Phase Retrieval with Atomic Modeling and Molecular Dynamics) combines statistical techniques with molecular dynamics to solve the phase retrieval problem. We present several examples where our algorithm is applied to simulated coherent diffraction from 3D crystals and show convergence to the correct solution at the atomic scale.
‘Candidatus Liberibacter brunswickensis’ colonization has no effect to the early development of Solanum melongena
Authors: Morris Jacqueline , Mann Rachel , Perera Angage Sanka , Frampton Rebekah , Malipatil Mallik , Norng Sorn , Yen Alan , Smith Grant , Rodoni Brendan
Published: August 2024

This study is the first to investigate the presence and movement of the novel Liberibacter species ‘Candidatus Liberibacter brunswickensis’ (CLbr) in eggplant, Solanum melongena. The psyllid, Acizzia solanicola can transmit CLbr to eggplant and CLbr can be acquired by CLbr-negative A. solanicola individuals from CLbr-positive eggplants. In planta, CLbr can replicate, move and persist. Investigation into the early development of eggplants showed that CLbr titres had increased at the inoculation site at 14 days post inoculation access period (DPIAP). CLbr had become systemic in the majority of plants tested by 28 DPIAP. The highest bacterial titres were recorded at 35 DPIAP in all samples of the inoculated leaf, the roots, stems and the midrib and petiole samples of the newest leaf (the top leaf). This finding strongly suggests that CLbr movement in planta follows the source to sink relationship as previously described for ‘Ca. Liberibacter asiaticus’ (CLas) and ‘Ca. Liberibacter solanacearum’ (CLso). No symptoms consistent with Liberibacter-associated diseases were noted for plants colonised by CLbr during this study, consistent with the hypothesis that CLbr does not cause disease of eggplant during the early stages of host colonisation. In addition, no significant differences in biomass were found between eggplant colonised with CLbr, compared to those that were exposed to CLbr-negative A. solanicola, and to control plants.
The latest shallow-sea isocrinids from the Miocene of Paratethys and implications to the Mesozoic marine revolution
Authors: Salamon Mariusz A. , Radwańska Urszula , Paszcza Karolina , Krajewski Marcin , Brachaniec Tomasz , Niedźwiedzki Robert , Gorzelak Przemysław
Published: August 2024

The predation-driven Mesozoic marine revolution (MMR) is believed to have induced a dramatic change in the bathymetric distribution of many shallow marine invertebrates since the late Mesozoic. For instance, stalked crinoids – isocrinids (Isocrinida) have undergone a striking decline in shallow-sea environments and today they are restricted to deep-sea settings (below 100 m depth). However, the timing and synchronicity of this shift are a matter of debate. A delayed onset of MMR and/or shifts to a retrograde, low-predation community structure during the Paleogene in the Southern Ocean were invoked. In particular, recent data from the Southern Hemisphere suggest that the environmental restriction of isocrinids to the deep-sea settings may have occurred at the end of the Eocene around Antarctica and Australia, and later in the early Miocene in New Zealand. Here, we report the anomalous occurrence of the isocrinids in shallow nearshore marine facies from the middle Miocene of Poland (Northern Hemisphere, Central Paratethys). Thus, globally, this is the youngest record of shallow-sea stalked crinoids. This finding suggests that some relict stalked crinoids may have been able to live in the shallow-water environments by the middle Miocene, and further confirms that the depth restriction of isocrinids to offshore environments was not synchronous on a global scale.
Discrimination of semantically similar verbal memory traces is affected in healthy aging
Authors: Ilyés Alex , Paulik Borbála , Keresztes Attila
Published: August 2024

Mnemonic discrimination of highly similar memory traces is affected in healthy aging via changes in hippocampal pattern separation—i.e., the ability of the hippocampus to orthogonalize highly similar neural inputs. The decline of this process leads to a loss of episodic specificity. Because previous studies have almost exclusively tested mnemonic discrimination of visuospatial stimuli (e.g., objects or scenes), less is known about age-related effects on the episodic specificity of semantically similar traces. To address this gap, we designed a task to assess mnemonic discrimination of verbal stimuli as a function of semantic similarity based on word embeddings. Forty young (Mage = 21.7 years) and 40 old adults (Mage = 69.8 years) first incidentally encoded adjective-noun phrases, then performed a surprise recognition test involving exactly repeated and highly similar lure phrases. We found that increasing semantic similarity negatively affected mnemonic discrimination in both age groups, and that compared to young adults, older adults showed worse discrimination at medium levels of semantic similarity. These results indicate that episodic specificity of semantically similar memory traces is affected in aging via less efficient mnemonic operations and strengthen the notion that mnemonic discrimination is a modality-independent process supporting memory specificity across representational domains.
Adapting the rhizome concept to an extended definition of viral quasispecies and the implications for molecular evolution
Authors: Landa Carlos Raico , Ariza-Mateos Ascensión , Briones Carlos , Perales Celia , Wagner Astrid , Domingo Esteban , Gómez Jordi
Published: August 2024

The rhizome concept proposed by Gilles Deleuze and Félix Guattari offers a novel perspective on the organization and interdependence of complex constellations of heterogeneous entities, their mapping and their ruptures. The emphasis of the present study is placed on the dynamics of contacts and communication among such entities that arise from experimentation, without any favored hierarchy or origin. When applied to biological evolution, the rhizome concept integrates all types of heterogeneity resulting from “symbiotic” relationships among living beings (or their genomic material), horizontal genetic transfer, recombination and mutation, and breaks away from the approach that gives rise to the phylogenetic tree of life. It has already been applied to describe the dynamics and evolution of RNA viruses. Thus, here we introduce a novel framework for the interpretation the viral quasispecies concept, which explains the evolution of RNA virus populations as the result of dynamic interconnections and multifaceted interdependence between highly heterogeneous viral sequences and its inherently heterogeneous host cells. The rhizome network perspective underlines even further the medical implications of the broad mutant spectra of viruses that are in constant flow, given the multiple pathways they have available for fitness loss and gain.
Unveiling novel double-negative prostate cancer subtypes through single-cell RNA sequencing analysis
Authors: Cheng Siyuan , Li Lin , Yeh Yunshin , Shi Yingli , Franco Omar , Corey Eva , Yu Xiuping
Published: August 2024

Recent advancements in single-cell RNA sequencing (scRNAseq) have facilitated the discovery of previously unrecognized subtypes within prostate cancer (PCa), offering new insights into cancer heterogeneity and progression. In this study, we integrated scRNAseq data from multiple studies, comprising publicly available cohorts and data generated by our research team, and established the Human Prostate Single cell Atlas (HuPSA) and Mouse Prostate Single cell Atlas (MoPSA) datasets. Through comprehensive analysis, we identified two novel double-negative PCa populations: KRT7 cells characterized by elevated KRT7 expression and progenitor-like cells marked by SOX2 and FOXA2 expression, distinct from NEPCa, and displaying stem/progenitor features. Furthermore, HuPSA-based deconvolution re-classified human PCa specimens, validating the presence of these novel subtypes. We then developed a user-friendly web application, “HuPSA–MoPSA” (https://pcatools.shinyapps.io/HuPSA-MoPSA/), for visualizing gene expression across all newly established datasets. Our study provides comprehensive tools for PCa research and uncovers novel cancer subtypes that can inform clinical diagnosis and treatment strategies.
A simple linear algebra identity to optimize large-scale neural network quantum states
Authors: Rende Riccardo , Viteritti Luciano Loris , Bardone Lorenzo , Becca Federico , Goldt Sebastian
Published: August 2024

Neural-network architectures have been increasingly used to represent quantum many-body wave functions. These networks require a large number of variational parameters and are challenging to optimize using traditional methods, as gradient descent. Stochastic reconfiguration (SR) has been effective with a limited number of parameters, but becomes impractical beyond a few thousand parameters. Here, we leverage a simple linear algebra identity to show that SR can be employed even in the deep learning scenario. We demonstrate the effectiveness of our method by optimizing a Deep Transformer architecture with 3 × 105parameters, achieving state-of-the-art ground-state energy in theJ1–J2Heisenberg model atJ2/J1 = 0.5 on the 10 × 10 square lattice, a challenging benchmark in highly-frustrated magnetism. This work marks a significant step forward in the scalability and efficiency of SR for neural-network quantum states, making them a promising method to investigate unknown quantum phases of matter, where other methods struggle.
Novel insights into the diversity of halophilic microorganisms and their functioning in hypersaline ecosystems
Authors: Oren Aharon
Published: August 2024

Our understanding of the microbial diversity inhabiting hypersaline environments, here defined as containing >100–150 g/L salts, has greatly increased in the past five years. Halophiles are found in each of the three domains of life. Many novel types have been cultivated, and metagenomics and other cultivation-independent approaches have revealed the existence of many previously unrecognized lineages. Syntrophic interactions between different phylogenetic lineages have been discovered, such as the symbiosis between members of the archaeal class Halobacteria and the ‘Candidatus Nanohalarchaeota’. Metagenomics techniques also have shed light on the biogeography of halophiles, especially of the genera Salinibacter (Bacteria) and Haloquadratum and Halorubrum (Archaea). Exploration of the microbiome of hypersaline lakes led to the discovery of novel types of metabolism previously unknown to occur at high salt concentrations. Studies of environments with high concentrations of chaotropic ions such as magnesium, calcium, and lithium have refined our understanding of the limits of life.
Rescuing error control in crosslinking mass spectrometry
Authors: Fischer Lutz , Rappsilber Juri
Published: August 2024

Crosslinking mass spectrometry is a powerful tool to study protein-protein interactions under native or near-native conditions in complex mixtures. Through novel search controls, we show how biassing results towards likely correct proteins can subtly undermine error estimation of crosslinks, with significant consequences. Without adjustments to address this issue, we have misidentified an average of 260 interspecies protein-protein interactions across 16 analyses in which we synthetically mixed data of different species, misleadingly suggesting profound biological connections that do not exist. We also demonstrate how data analysis procedures can be tested and refined to restore the integrity of the decoy-false positive relationship, a crucial element for reliably identifying protein-protein interactions.
Quality evaluation for Ficus hirta Vahl granules, using TLC and HPLC fingerprint combined with chemical pattern recognition
Authors: Li Yangling , Luo Xian , Wei Lixiao , Huang Xiaohong , Liang Yongjuan , Lin Ning , Jiang Lin , Lin Qinghua , Chen Qing
Published: August 2024

In this study, a comprehensive research method combining TLC, HPLC fingerprinting and chemical pattern recognition is used for the first time to assess the quality of FHGs, identify their characteristic components and determine their content.
Hairpin self-assembly powered by exonuclease III for highly sensitive and cross-validated miRNA-155 detection
Authors: Ji Jiayi , Xu Jun , Wang Suqin , Wang Qian , Li Hongbo
Published: August 2024

Cancer is one of the most important causes of human death and poses a serious threat to human health.
Multivalent cobalt nanoparticles supported on silica for efficient and sustainable methanolysis of commercial polyethylene terephthalate waste bottles
Authors: Kumari Kamlesh , Choudhary Priyanka , Krishnan Venkata
Published: August 2024

This work presents a novel pathway for methanolysis of PET waste using Co–SiO2 as catalyst.
Multistep screening of transition-metal-based homonuclear double-atom catalysts to unravel the electronic origin of their activity and selectivity challenges for nitrogen reduction
Authors: Rasool Anjumun , Dar Manzoor Ahmad
Published: August 2024

Synergistic interactions in double-atom catalysts (DACs) supported on the TCNQ monolayer for sustainable conversion of nitrogen to ammonia under greener environmental conditions.
Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction
Authors: Cao Xu-You , Xu Shi-Yin , Wu Ling-Wei , Qiu Yi-Feng , Zhang Hao , Si Li-Ping , Wang Li-Ming , Liu Hai-Yang
Published: August 2024

It is known that the efficiency of the hydrogen evolution reaction (HER) can be promoted by the presence of proton relay groups neighboring a catalytic metal center.
Ligand engineering of tetra N-heterocyclic carbenes for boosting catalytic aziridination
Authors: Smith Brett A. , Hakimov Somon , Jenkins David M. , Vogiatzis Konstantinos D.
Published: August 2024

A comprehensive computational study on the underlying reactivity of iron tetra-NHC complexes for C2 + N1 aziridination catalysis is presented.
Development of 3D compound structures and highly wettable carbonate hydroxide electrodes for high-performance supercapacitors
Authors: Lee Damin , Roh Jong Wook , Kim Dong Hwan , Kim Jeongmin
Published: August 2024

A schematic of (a) a NiCo(CO3)(OH)2 compound fabricated with Ni foam and (b) a NiCo(CO3)(OH)2 compound synthesized without a Ni foam substrate.
Ru(ii)–arene azole complexes as anti-amyloid-β agents
Authors: Hacker Ryan M. , Grimard Daniela M. , Morgan Katie A. , Saleh Eaman , Wrublik Morgan M. , Meiss Cade J. , Kant Caitlyn C. , Jones Marjorie A. , Brennessel William W. , Webb Michael I.
Published: August 2024

Ru(ii)–arene azole complexes demonstrated that decreased affinity to serum albumin led to an increase in preventing amyloid-β aggregation and cytotoxicity.
Aluminium complexes of phenoxy-azo ligands in the catalysis of rac-lactide polymerisation
Authors: Sumrit Pattarawut , Kamavichanurat Sirawan , Joopor Wasan , Wattanathana Worawat , Nakornkhet Chutikan , Hormnirun Pimpa
Published: August 2024

Two series of phenoxy-azo aluminium complexes were successfully synthesised and characterised. All aluminium complexes are active initiators for the ROP of rac-lactide, and the polymerisations proceeded in a controlled manner and were living.
Optical and theoretical study of NaCr(P2O7): a look through the Neuhauser model and Racah theory
Authors: Souissi H. , Kammoun S. , Dhahri E. , López-Lago E.
Published: August 2024

A sample of NaCr(P2O7) was synthesized using the solid-state reaction method.
Lithium chloride selective ion-pair recognition by heteroditopic [2]rotaxanes
Authors: Munasinghe Vihanga K. , Tay Hui Min , Manawadu Dilhan , Pancholi Jessica , Zhang Zongyao , Beer Paul D.
Published: August 2024

A series of heteroditopic hydrogen- and halogen bonding [2]rotaxanes display strong and selective recognition of lithium chloride ion-pairs.
C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells
Authors: Gong Yufei , Zou Tianwei , Li Xiaojun , Qin Shucheng , Sun Guangpei , Liang TongLing , Zhou Ruimin , Zhang Jianqi , Zhang Jinyuan , Meng Lei , Wei Zhixiang , Li Yongfang
Published: August 2024

We systematically investigated the effects of the top substituents on the physicochemical properties of SMAs and achieved the highest PCE for OSCs processed using a non-halogenated solvent without any extra treatment.
Oral aged garlic (Allium sativum) alleviates ulcerative colitis in mice by improving gut homeostasis
Authors: Han Deping , Guan Xuke , Zhu Fengxia , Yang Qing , Su Dingding
Published: August 2024

Oral aged garlic ameliorates DSS-induced colitis in mice by improving gut homeostasis.
Correction: Rosavin improves insulin resistance and alleviates hepatic and kidney damage via modulating the cGAS-STING pathway and autophagy signaling in HFD/STZ-induced T2DM animals
Authors: Ali Hebatallah S. , Al-Amodi Hiba S. , Hamady Shaimaa , Roushdy Marian M. S. , Helmy Hasanin Amany , Ellithy Ghada , Elmansy Rasha A. , Ahmed Hagir H. T. , Ahmed Enshrah M. E. , Elzoghby Doaa M. A. , Kamel Hala F. M. , Hassan Ghida , ELsawi Hind A. , Farid Laila M. , Abouelkhair Mariam B. , Habib Eman K. , Esawie Mohamed , Fikry Heba , Saleh Lobna A. , Matboli Marwa
Published: August 2024

Correction for ‘Rosavin improves insulin resistance and alleviates hepatic and kidney damage via modulating the cGAS-STING pathway and autophagy signaling in HFD/STZ-induced T2DM animals’ by Hebatallah S. Ali et al., RSC Med. Chem., 2024, 15, 2098–2113, https://doi.org/10.1039/D4MD00023D.
A poly-δ-decalactone (PDL) based nanoemulgel for topical delivery of ketoconazole and eugenol against Candida albicans
Authors: Dubey Prashant , Kumar Ankaj , Vaiphei Klaudi K. , Basrani Sargun , Jadhav Ashwini , Wilen Carl-Eric , Rosenholm Jessica M. , Bansal Kuldeep K. , Chakravarti Rudra , Ghosh Dipanjan , Gulbake Arvind
Published: August 2024

The renewable PDL (poly-δ-decalactone) and mPEG-b-PDL (methoxy-poly(ethylene glycol)-b-PDL) based nanoemulsion (NE) bearing ketoconazole (KTZ) and eugenol (EUG) were developed and finally, KTZ–EUG–NE-based gel were investigated for topical delivery against Candida albicans.
Sequential management of burn wound healing stages through biointelligence-inspired platelet extracellular vesicle-encapsulated photodynamic diferuloylmethane
Authors: Chuang Andrew E.-Y. , Chen Yo-Lin , Nguyen Hieu Trung , Lu Hsien-Tsung , Liu Chia-Hung
Published: August 2024

The process of wound healing is a complex, multi-phase phenomenon crucial for optimal tissue regeneration.
Giant Rashba-splitting of one-dimensional metallic states in Bi dimer lines on InAs(100)
Authors: Sheverdyaeva Polina M. , Bihlmayer Gustav , Modesti Silvio , Feyer Vitaliy , Jugovac Matteo , Zamborlini Giovanni , Tusche Christian , Chen Ying-Jiun , Tan Xin Liang , Hagiwara Kenta , Petaccia Luca , Thakur Sangeeta , Kundu Asish K. , Carbone Carlo , Moras Paolo
Published: August 2024

Experimental electronic structure and quasi 1D spin texture of Bi dimer lines on InAs(100) displaying giant Rashba parameter.
Effect of NiAl alloy microparticles deposited in flexible SERS substrates on the limit of detection of rhodamine B molecules
Authors: Molina A. , Oliva J. , Vazquez-Lepe M. , Lopez-Medina M. , Ojeda L. , Rios-Jara D. , Flores-Zuñiga H.
Published: August 2024

The surface of Flexible-SERS substrates were decorated with NiAl microparticles and Ag nanoparticles. Those substrates had a limit of detection of 8.35 × 10−24 moles (∼5 molecules).
Recent advances in biomimetic superhydrophobic surfaces: focusing on abrasion resistance, self-healing and anti-icing
Authors: Luo Jing , Guo Zhiguang
Published: August 2024

A comprehensive insight about recent advances in biomimetic superhydrophobic surfaces: focusing on abrasion resistance, self-healing and anti-icing, which brings a new perspective to construct durable superhydrophobic surfaces.
Sustainable biocatalytic synthesis of substituted muconic acids
Authors: Sobottka Devin J. , Rooney Grace C. , Thompson Samantha P. , Ubbelohde Jessica M. , Aldag Ava M. , Lerch Austin R. , Doyon Tyler J.
Published: August 2024

A sustainable biocatalytic approach for the synthesis of substituted muconic acids was developed using the ring-cleaving dioxygenase CatA.
A novel tumor theranostic strategy based on metabolic glycoengineering and disulfidptosis
Authors: Li Jie , Chang Hao , Zhang Pengzhe , Hou Liyu , Li Wei , Zhang Yixin , Lao Zhiqi
Published: August 2024

A bifunctional molecule, Ac4ManNSSN3, is designed and applied for a tumor theranostic strategy in this work. The results from both cell and animal experiments show good in situ tumor detection and tumor inhibition effects.
Emerging lipid–polymer hybrid nanoparticles for genome editing
Authors: Gameiro Mariana , Mano João F. , Gaspar Vítor M.
Published: August 2024

Lipid–polymer hybrid nanoparticles are rapidly emerging as a major class of efficient delivery systems for biomedical applications. This review showcases and discusses the designs and major advances of lipid–polymer hybrids for genome editing strategies.
Ultra-fast green synthesis of a defective TiO2 photocatalyst towards hydrogen production
Authors: Kunthakudee Naphaphan , Puangpetch Tarawipa , Ramakul Prakorn , Serivalsatit Karn , Ponchio Chatchai , Hunsom Mali
Published: August 2024

An ultra-fast green synthesis of defective TiO2 was conducted using a microwave-assisted method. Suitable defect contents and good porous properties play a role in H2 production.
pH-induced morphological transition of aggregates formed by miktoarm star polymers in dilute solution: a mesoscopic simulation study
Authors: Ma Zengwei , Liu Gaiqin , Hu Nan , Chen Lin , Wei Jianwei
Published: August 2024

The vesicle changes from nanodisk to nanosheet, then to nanoribbon, with a decrease in pH value.
Binding uric acid: a pure chemical solution for the treatment of hyperuricemia
Authors: Li Yun-Yun , Li Jing , Li Yan , Long Hong-Ping , Lin Wei , Wang Yi-Kun , Tang Rong , Liu Xue-Wu , Jiang Dejian , Liu Shao , Cao Dongsheng , Tan Gui-Shan , Xu Kang-Ping , Wang Wen-Xuan
Published: August 2024

A binding partner designed for uric acid inhibits its precipitation and ionization, and shows an anti-hyperuricemia activity in vivo competitive with benzbromarone, as well as a favorable safety profile.
Introduction to RSC Advances themed collection on Nanoarchitectonics Advances: Bridge over Nanotechnology and Materials Science
Authors: Ariga Katsuhiko , Maeda Hiromitsu , Baudron Stéphane A. , Chen Yulan
Published: August 2024

A passport to a method for everything in materials science.
Gradual evolution of a homo-l-peptide world on homo-d-configured RNA and DNA
Authors: Węgrzyn Ewa , Mejdrová Ivana , Carell Thomas
Published: August 2024

Nucleic acids with hypermodified nucleosides perform stereoselective RNA/DNA-mediated peptide coupling, followed by thermal release of the peptide, leading to temperature-driven one-pot cycles with gradual homochiral l-peptide enrichment.
Catalytic asymmetric functionalization and dearomatization of thiophenes
Authors: Zhao Zhengxing , Li Yingxin , Jia Shiqi , Peng Lei , Zhang Zian , Wu Fengdi , Wang Pengfei , Qin Wenling , Lan Yu , Yan Hailong
Published: August 2024

In this study, we developed an efficient strategy for the asymmetric intramolecular reactions of VQMs and thiophenes, which proceed via two exclusive pathways, yielding axially chiral thiophene derivatives characterized by high stereoselectivity.
Triplet dynamics reveal loss pathways in multi-resonance thermally activated delayed fluorescence emitters
Authors: Stuart Alexandra N. , Bergmann Katrina , Cho Inseong , Kendrick William J. , Hudson Zachary M. , Wong Wallace W. H. , Lakhwani Girish
Published: August 2024

The identity and dynamics of triplets in multi-resonance thermally activated delayed fluorescence (MR-TADF) materials can have significant implications for their use in light-emitting devices.
Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes
Authors: Zhang Heng-Yuan , Zhang Ming , Zhuo Hao , Yang Hao-Yu , Han Bo , Zheng Yong-Hao , Wang Hui , Lin Hui , Tao Si-Lu , Zheng Cai-Jun , Zhang Xiao-Hong
Published: August 2024

Contrasting donor : acceptor pairs were constructed to study the non-radiative decay of red exciplexes. On applying a new strategy to suppress energy loss, the proof-of-concept emitter allowed the red OLED to achieve a maximum efficiency of 23.8%.
Carbon–metal versus metal–metal synergistic mechanism of ethylene electro-oxidation via electrolysis of water on TM2N6 sites in graphene
Authors: Chu Yun-Jie , Zhu Chang-Yan , Liu Chun-Guang , Geng Yun , Su Zhong-Min , Zhang Min
Published: August 2024

The carbon–metal synergistic mechanism is more advantageous than the metal–metal synergistic mechanism for ethylene electro-oxidation via the electrolysis of water on homonuclear TM2N6@graphenes.
Ribosomal translation of fluorinated non-canonical amino acids for de novo biologically active fluorinated macrocyclic peptides
Authors: Wu Junjie , Wang Yuchan , Cai Wenfeng , Chen Danyan , Peng Xiangda , Dong Huilei , Li Jinjing , Liu Hongtan , Shi Shuting , Tang Sen , Li Zhifeng , Sui Haiyan , Wang Yan , Wu Chuanliu , Zhang Youming , Fu Xinmiao , Yin Yizhen
Published: August 2024

Fluorinated non-canonical amino acids were ribosomally translated, allowing identification of fluorinated macrocyclic peptides with strong binding to EphA2 and broad-spectrum activity against Gram-negative bacteria by targeting the BAM complex.
Photosensitizer-free singlet oxygen generation via a charge transfer transition involving molecular O2 toward highly efficient oxidative coupling of arylamines to azoaromatics
Authors: Singh Shivendra , Mukherjee Tushar Kanti
Published: August 2024

We report the generation of O2 (a1Δg) via direct charge-transfer excitation of the solvent (S)–O2 (X3Σg−) collision complex and utilize it for the catalyst-free oxidative coupling of arylamines to azoaromatics under ambient conditions.
Surface doping of cobalt nanoparticles by selenium anion to steer the selectivity in electrocatalytic nitrate reduction
Authors: Zheng Xuan , Ding Shifei , Zhu Mingyue , Ma Fengjun , Hao Jiace , Lu Shuanglong , Duan Fang , Du Mingliang , Wang Chenglong , Zhu Han
Published: August 2024

Se doped Co nanoparticles were synthesized in electrospun carbon nanofibers (Se@Co/CNFs), which exhibit a high NH3 FE of 94.8% and a production rate of 3.60 mmol h−1 mgcat−1 at −0.9 V vs. RHE under ambient conditions.
Understanding slow compression of frictional granular particles by network analysis
Authors: Taghizadeh Kianoosh , Luding Stefan , Basak Rituparna , Kondic Lou
Published: August 2024

Compression of frictional granular matter proceeds via intermittent events associated with jumps in the overall kinetic energy and dramatic changes of force network structure.
Stable polydisperse free-standing porous films made by mechanical deformation
Authors: Hsu Hsiao-Ping , Kremer Kurt
Published: August 2024

Nanoporous polymer film made by biaxial expansion of a polydisperse polymer melt. The film is stabilized by long polymer chains extending over several pores. Short chains aggregate inside the bridges between pores.
Azaylide-based gemini amphiphiles displaying unique self-assembling behavior via an even–odd effect of alkyl linker chain length
Authors: Akiyama Yoshimori , Yamashina Masahiro , Toyota Shinji
Published: August 2024

Azaylide-based gemini amphiphiles synthesized from bis(diphenylphosphino)alkanes exhibited unique self-assembling behavior via an even–odd effect depending on the alkyl linker.
Dual-/multi-organelle-targeted AIE probes associated with oxidative stress for biomedical applications
Authors: You Yuanyuan , Lin Songling , Tang Chengwei , Li Yuchao , Yan Dingyuan , Wang Dong , Chen Xiaohui
Published: August 2024

This review summarizes the recent advancements in biomedical applications of dual-/multi-organelle-targeted aggregation-induced emission (AIE) probes, focusing on their in situ induction of oxidative stress.
Local color display technology
Authors: Wu Weijian
Published: August 2024

The local color display technology utilizes a high refresh rate LCD open‐cell without a color filter and enables color adjustment through independent RGB backlight zones isolated by an anti‐scatter grid (ASG). Synchronized calibration between the open‐cell and the backlight zones is achieved by aligning the backlight controller with the vertical clock pulse (CPV)/vertical start pulse (STV) signals in the open‐cell gate driver, thereby determining the open‐cell scan line position. Once synchronous calibration is completed, the backlight controller refreshes the corresponding RGB backlight zones whenever the open‐cell scan line passes through them. The local color display technology can reduce the cost of open‐cell by 20%, improve resolution by three times, enhance brightness by eight times, expand the color gamut to BT2020, and improve grayscale to 32‐bits.
Application of a three‐phase unified power quality conditioner in a microgrid
Authors: Wu Tsung‐Hsun , Huang Shu‐Syuan , Chen Pei‐Yin
Published: August 2024

In power distribution systems, common issues such as voltage fluctuations, voltage instability, current harmonics, and power imbalances often arise, negatively impacting the stability and power quality (PQ) of the power system. As an advanced power electronics device, the unified power quality conditioner (UPQC) can effectively address these problems. Therefore, the integration of UPQC into power distribution lines can enhance the stability and reliability of the power system, providing higher‐quality power supply to meet the needs of both users and suppliers for PQ. The authors utilise the TI TMS320F28377D chip as the control core to construct a simple yet highly efficient UPQC system. Through simulation, the correctness of the voltage and current compensation algorithms has been verified, and the overall system feasibility has been validated using a 100‐kVA series‐shunt inverter. The experimental results show that the voltage compensation range of the UPQC is 380V ± 10%. During sudden current drops, the imbalance rate can be reduced from 85.5% to 1.32% after controlled compensation. During sudden current rises, the imbalance rate can be reduced from 13.1% to 1.56% after controlled compensation. These findings demonstrate the effectiveness of the UPQC system in improving PQ and system stability in power distribution networks.