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Multiphase Transport Phenomena and Energy Process Intensification

This talk will cover the following three aspects –

Micron-particle laden flow and heat transfer in confined geometry with separation-enhanced hydrogen production and carbon capture as an example.

Rheological behaviour and heat transfer of dilute suspensions of nanoparticles with cooling of high-power microelectronics as an example.

Microstructures and behaviour of thermal energy storage materials with composite phase change materials and composite thermochemical materials as examples.

• Speaker: Yulong Ding, University of Birmingham
• Thursday 30 January 2025, 11:30-12:30
• Venue: Open Plan Area, Institute for Energy and Environmental Flows, Madingley Rise CB3 0EZ.
• Series: Institute for Energy and Environmental Flows (IEEF); organiser: Catherine Pearson.

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NMR Prediction Uncertainty Enables DFT-Free Structural Confirmation

While density functional theory (DFT) remains the standard for accurate simulation of nuclear magnetic resonance (NMR) spectra, its computational cost remains prohibitive. Use of DFT for structural confirmation is only justified where it offers substantial time savings over the experiment, such as total synthesis of natural products. Neural networks are a promising solution for simpler molecules, but published examples cannot estimate the prediction uncertainty.

By incorporating uncertainty estimation into an existing neural network, we can confirm the structure from its NMR spectrum 100,000 times faster than using DFT , with calculations completed in milliseconds rather than hours. Large-scale combinatorial studies show that our approach matches accuracy of DFT -based DP5 analysis and exceeds the sensitivity of simple error analysis. Analysis of 24 misassigned natural product structures demonstrates the generalisability of the method and equal performance to that of DFT .

We are now exploring the potential of the new method for automated structure revision and interpretation of 1H NMR spectra.

• Speaker: Ruslan Kotlyarov, University of Cambridge
• Wednesday 29 January 2025, 14:30-15:00
• Venue: Unilever Lecture Theatre, Yusuf Hamied Department of Chemistry.
• Series: Theory - Chemistry Research Interest Group; organiser: Lisa Masters.

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How do we protect the democratic information environment in an AI-powered world? Tackling online harms with computational social science and AI

2023-2024 was a peak year of concern over AI safety, highlighted at the UK AI Safety Summit in Bletchley Park, the creation of AI safety institutes across the world, and concerns raised by technology experts over AI-powered threats to democracy and existential risks brought by the fast pace of AI development. This talk will scrutinise the claims that have been made regarding threats from AI to democratic life in an online world. It will report research that suggests that hype over AI is having its own independent effect, that targeted political persuasion may be less effective than has been claimed, that smaller models can be as persuasive as larger models and that AI itself may be part of the solution to AI-powered harms. Research suggests that the real threats to society and democracy may come from long-running shifts in the information environment, where people start mistrusting all information and are increasingly fearful of expressing political opinions in online settings. AI and computational social science researchers will need to find new ways of understanding, measuring and mitigating these threats.

• Speaker: Helen Margetts (University of Oxford)
• Wednesday 29 January 2025, 13:00-14:00
• Venue: Ground Floor Lecture Theatre, Department of Psychology, Downing Site, Cambridge.
• Series: Social Psychology Seminar Series (SPSS); organiser: Yara Kyrychenko.

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Data-driven models of neural and behavioural learning

Learning and adaptation play a central role in interacting with a dynamic environment. Neuroscience experiments have classically focused on how individual brain regions perform simplified tasks. However, recent technological advances have rapidly enabled the monitoring of large populations of neurons over many days, across multiple brain regions, and during increasingly complex behaviors. Yet even with such data within our reach, we still lack the theoretical and quantitative tools necessary to infer the fundamental principles guiding learning in the brain.

In this talk I will present several of our latest efforts to bridge this gap. First, by building state-dependent statistical models, we demonstrate that complex locomotor behaviours can be disentangled into a twofold learning process combining discrete and continuous aspects that are both refined over learning. Second, we propose a theoretical framework for how different motor regions (the motor cortex and cerebellum) could coordinate as a distributed learning system. Finally, I will present our recent development of tensor-based dimensionality reduction methods to track how neural dynamics change as learning unfolds. Together, our work aims to develop interpretable data-driven models to understand and link learning dynamics across neural and behavioural scales.

• Speaker: N Alex Cayco Gajic, École Normale Supérieure
• Tuesday 21 January 2025, 15:00-16:30
• Venue: CBL Seminar Room, Engineering Department, 4th floor Baker building.
• Series: Computational Neuroscience; organiser: Daniel Kornai.

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Cambridge RNA Club - ONLINE

Dr. Anton Petrov: R2DT: a comprehensive platform for visualising RNA secondary structure

Dr. Oguzhan Begik Long-read transcriptome-wide RNA structure maps using DMS -FIRST-seq

https://cam-ac-uk.zoom.us/j/83910697741?pwd=MaOk5jdIRskIbFyMVZ9xNsZjg2bZqy.1

• Speaker: Dr. Anton Petrov (Director, Riboscope Ltd, Cambridge, UK), Dr. Oguzhan Begik (Senior Postdoc, Centre for Genomic Regulation, Barcelona, ES)
• Thursday 23 January 2025, 17:00-19:00
• Venue: Online (Zoom).
• Series: Cambridge RNA Club; organiser: cambridgeRNA.

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MathWorks: Embedded AI: Deploying deep learning models for industrial applications

Abstract: Deploying increasingly large and complex deep learning networks onto resource-constrained devices is a growing challenge facing many AI practitioners, especially within the domain of audio and acoustic applications. Modern deep neural networks, which are integral to advancing state-of-the-art signal processing algorithms, typically require high-performance processors and/or GPUs due to their extensive number of learnable parameters. As these large AI models set new benchmarks for quality and functionality, they simultaneously push the boundaries of what can be embedded into real-time systems and edge devices. Consequently, engineers today are faced with the critical task of reconciling the complexity of these networks with the stringent resource limitations of portable devices and low-power sensors, while ensuring real-time performance without compromising accuracy. In this talk, attendees will explore a realistic industrial workflow, that integrates an AI model, trained to detect component faults in an air compressor, into a system before deploying to an edge device. The talk will include:

• A discussion on why an AI solution is appropriate.

• Selecting a suitable model and network architecture.

• Integrating and validating the AI model in a larger system design using Simulink.

• Automatically generating target optimized C/C++ implementations and deploying to an edge device.

Please register to attend at the following link: https://recruitment.mathworks.com/flows/cambridge-university-computer-labs-tech-talk-2025-vecm0c4c4

Some catering will be provided

• Speaker: Antoni Woss and Ruth Faherty
• Monday 03 February 2025, 13:05-13:55
• Venue: FW26, William Gates Building.
• Series: Technical Talks - Department of Computer Science and Technology ; organiser: Ben Karniely.

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From Batch to Flow: Advancing Synthetic Organic Chemistry through Technological Innovation

The world of synthetic organic chemistry has made significant strides in discovering new medicines, materials, and fine chemicals. However, there is a major aspect that has been overlooked for years – the reactor itself. In this talk, we will explore the potential of flow chemistry to advance synthetic organic chemistry through technological innovation. By harnessing the power of flow chemistry, chemists can unlock unique reactivity and selectivity, enabling them to push the boundaries of what is possible.[1] Not only does flow chemistry make new synthetic routes achievable, it can fast-track them from the lab to large scale production.[2] At our research group, we are committed to advancing the field by developing automated and flow-based reaction technologies that reduce manual labor, increase reproducibility, and accelerate reaction discovery. Our focus on flow chemistry has led to exciting developments in methodological advancements, including photocatalysis, fluorine chemistry, and bioconjugation chemistry. In this talk, we aim to showcase the potential of flow chemistry and how it can team up with methodological development to take synthetic organic chemistry to the next level. We will highlight the perks of flow chemistry, from improving reaction efficiency to enabling the discovery of new chemical reactions. Our ultimate goal is to inspire chemists to adopt this innovative technology and unlock new possibilities for synthetic organic chemistry.

[1] Capaldo, L.; Wen, Z. and Noël, T. A field guide to flow chemistry for synthetic organic chemists. Chem. Sci., 2023, 14, 4230-4247. [2] D.A. Zondag, S.; Mazzarella, D. and Noël, T. Scale-Up of Photochemical Reactions: Transitioning from Lab Scale to Industrial Production. Annu. Rev. Chem. Biomol. Eng., 2023, 14, 283-300.

• Speaker: Professor Timothy Noël (University of Amsterdam, Van 't Hoff Institute for Molecular Sciences)
• Thursday 10 April 2025, 14:00-15:00
• Venue: Dept. of Chemistry, Wolfson Lecture Theatre.
• Series: Synthetic Chemistry Research Interest Group; organiser: pd552.

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Telomere to mitochondria signaling prevents age-associated cancer initiation

Telomere to mitochondria signaling prevents age-associated cancer initiation

Tobias Schmidt1, Marco R. Cosenza2, Joe Nassour3, Carly Tyer4, Scott Hickey4, Jan Korbel2, Jan Karlseder1

1Salk Institute for Biological Studies, La Jolla, CA, USA . 2Genome Biology, European Molecular Biology Laboratory, Heidelberg, Germany. 3Department of Biochemistry and Molecular Genetics, University of Colorado, Anschutz Medical Campus, Denver, CO, USA . 4Oxford Nanopore Technologies, Inc., New York, NY, USA .

Cancers arise through accumulation of genetic and epigenetic alterations allowing cells to evade telomere-based proliferative barriers and achieve immortality. One such barrier is replicative crisis, an autophagy-dependent program eliminating checkpoint-deficient cells with unstable telomeres. Cells that escape crisis exhibit cancer-relevant chromosomal aberrations, yet little is known about the molecular events regulating the onset of this tumor suppressive barrier. We discovered that crisis is executed through an intricate interplay between innate DNA and RNA sensing machineries, activated by critically short telomeres. We found that three hallmarks of aging, telomeres, mitochondria and inflammation, synergize in molecular pathways to prevent age associated cancer initiation. Furthermore, analysis of single cells during crisis and cells that escaped crisis revealed a role for genome instability in executing the crisis program. Our discoveries establish novel mechanisms for telomere-mediated tumor suppression, whereby dysfunctional telomeres activate lethal innate immune signaling to eliminate cells at risk for neoplastic transformation.

• Speaker: Jan Karlseder, Salk Institute for Biological Studies
• Thursday 23 January 2025, 13:00-14:00
• Venue: CRUK CI Lecture Theatre.
• Series: Cancer Research UK Cambridge Institute (CRUK CI) Seminars in Cancer; organiser: Kate Davenport.

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Energy Environ. Sci., 2024, 17,2765-2775
DOI: 10.1039/D3EE03464J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Zhihong Bi, Zonglin Yi, Liangzhu Zhang, Gongrui Wang, Anping Zhang, Shihao Liao, Qinghe Zhao, Zhangquan Peng, Li Song, Yi Wang, Zhiwei Zhao, Shiqiang Wei, Wenguang Zhao, Xiaoyu Shi, Mingrun Li, Na Ta, Jinxing Mi, Shunning Li, Pratteek Das, Yi Cui, Chengmeng Chen, Feng Pan, Zhong-Shuai Wu
Schematic diagram of the fluorination interfacial reconstruction process and mechanism for stabilizing the cathode/electrolyte interface.
The content of this RSS Feed (c) The Royal Society of Chemistry

Energy Environ. Sci., 2024, 17,2686-2733
DOI: 10.1039/D3EE03559J, Review Article Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Felix Schomburg, Bastian Heidrich, Sarah Wennemar, Robin Drees, Thomas Roth, Michael Kurrat, Heiner Heimes, Andreas Jossen, Martin Winter, Jun Young Cheong, Fridolin Röder
This review examines the key process of lithium-ion battery cell formation. Influencing factors, challenges, experimental and simulation tools required for knowledge-based process design of current and emerging battery technologies are addressed.
The content of this RSS Feed (c) The Royal Society of Chemistry

Energy Environ. Sci., 2024, 17,2800-2814
DOI: 10.1039/D3EE03687A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Hang Hu, Sophie X. An, Yang Li, Seyedamir Orooji, Roja Singh, Fabian Schackmar, Felix Laufer, Qihao Jin, Thomas Feeney, Alexander Diercks, Fabrizio Gota, Somayeh Moghadamzadeh, Ting Pan, Michael Rienäcker, Robby Peibst, Bahram Abdollahi Nejand, Ulrich W. Paetzold
Key advances on triple-junction perovskite–perovskite–Si solar cells with an unprecedented efficiency of 24.4% and enhanced long-term thermal stability are reported via the development of high-performance middle perovskite solar cell.
The content of this RSS Feed (c) The Royal Society of Chemistry

This review begins by exploring the unique architecture, fabrication techniques, and operational principles of carbon-based printable mesoscopic solar cells (p-MPSCs), providing a comprehensive understanding of their functionality. It then delves into the mechanisms behind crystal nucleation and growth, explaining how these processes impact perovskite quality and performance. Additionally, it discusses common strategies to improve crystallization quality, including additive engineering, solvent engineering, evaporation control, and post-treatment techniques. Lastly, the review offers potential recommendations to further enhance perovskite crystallization, encouraging ongoing innovation to overcome current challenges and drive the advancement of p-MPSCs.

Abstract

Carbon-based printable mesoscopic solar cells (p-MPSCs) offer significant advantages for industrialization due to their simple fabrication process, low cost, and scalability. Recently, the certified power conversion efficiency of p-MPSCs has exceeded 22%, drawing considerable attention from the community. However, the key challenge in improving device performance is achieving uniform and high-quality perovskite crystallization within the mesoporous structure. This review highlights recent advancements in perovskite crystallization for p-MPSCs, with an emphasis on controlling crystallization kinetics and regulating perovskite morphology within confined mesopores. It first introduces the p-MPSCs, offering a solid foundation for understanding their behavior. Additionally, the review summarizes the mechanisms of crystal nucleation and growth, explaining how these processes influence the quality and performance of perovskites. Furthermore, commonly applied strategies for enhancing crystallization quality, such as additive engineering, solvent engineering, evaporation controlling, and post-treatment techniques, are also explored. Finally, the review proposes several potential suggestions aimed at further refining perovskite crystallization, inspiring continued innovation to address current limitations and advance the development of p-MPSCs.

Cellulose nanofiber and alginate from natural sargassum are used to prepare a fire-retardant structural material through a hydrogel layer-by-layer method. This bio-based material has excellent mechanical properties, thermal stability, and fire retardancy. This work greatly improves the utilization of seaweed residues and natural polymers, provides a bio-based fire-retardant strategy, and has important potential in the future development of high-performance fiber-based materials.

Abstract

With increasing concern about the environmental pollution of petrochemical plastics, people are constantly exploring environmentally friendly and sustainable alternative materials. Compared with petrochemical materials, cellulose has overwhelming superiority in terms of mechanical properties, thermal properties, cost, and biodegradability. However, the flammability of cellulose hinders its practical application to a certain extent, so improving the fire-retardant properties of cellulose nanofiber-based materials has become a research focus. Here, cellulose nanofiber and alginate are extracted from abundant natural sargassum as high-strength nanoscale building blocks, and then a sargassum cellulose fire-retardant structural material is prepared through a bottom-up hydrogel layer-by-layer method. The structural materials obtained incorporate excellent mechanical properties (≈297 MPa), thermal stability (≈200 °C), low thermal expansion coefficient (≈7.17 × 10−6 K−1), and fire-retardant properties. This work largely improves the utilization of seaweed residue and natural polymers, providing a bio-based fire-retardant strategy, and has a wide range of development prospects in the field of fiber-based high-performance structural materials in the future.

A Mo1Cu single-atom alloy is developed to enable atom-scale cascade catalysis via multi-active site collaboration for CO2 Electroreduction. The as-prepared Mo1Cu shows a remarkable C2+ Faradaic efficiency of 86.4% under 0.80 A cm−2. Furthermore, the C2+ partial current density over Mo1Cu reaches an ampere-level 1.33 A cm−2 with a Faradaic efficiency surpasses 74.3%.

Abstract

Electrochemical reduction of CO2 to value-added multicarbon (C2+) productions offers an attractive route for renewable energy storage and CO2 utilization, but it remains challenging to achieve high C2+ selectivity at industrial-level current density. Herein, a Mo1Cu single-atom alloy (SAA) catalyst is reported that displays a remarkable C2+ Faradaic efficiency of 86.4% under 0.80 A cm−2. Furthermore, the C2+ partial current density over Mo1Cu reaches 1.33 A cm−2 with a Faradaic efficiency surpasses 74.3%. The combination of operando spectroscopy and density functional theory (DFT) indicates the as-prepared Mo1Cu SAA catalyst enables atom-scale cascade catalysis via multi-active site collaboration. The introduced Mo sites promote the H2O dissociation to fabricate active *H, meanwhile, the Cu sites (Cu0) far from Mo atom are active sites for the CO2 activation toward CO. Further, CO and *H are captured by the adjacent Cu sites (Cu&+) near Mo atom, accelerating CO conversion and C─C coupling process. Our findings benefit the design of tandem electrocatalysts at atomic scale for transforming CO2 to multicarbon products under a high conversion rate.

The development of oxygen evolution reaction (OER) electrocatalysts via the oxide path mechanism (OPM) is systematically reviewed. It sheds light on the rational design of OPM-based OER electrocatalysts to break the activity-stability trade-offs involved in conventional OER mechanisms, leading to more efficient energy conversion and storage processes, such as water electrolysis, CO2/N2 reduction, reversible fuel cells, and rechargeable metal-air batteries.

Abstract

Oxygen evolution reaction (OER) is a cornerstone of various electrochemical energy conversion and storage systems, including water splitting, CO2/N2 reduction, reversible fuel cells, and rechargeable metal-air batteries. OER typically proceeds through three primary mechanisms: adsorbate evolution mechanism (AEM), lattice oxygen oxidation mechanism (LOM), and oxide path mechanism (OPM). Unlike AEM and LOM, the OPM proceeds via direct oxygen–oxygen radical coupling that can bypass linear scaling relationships of reaction intermediates in AEM and avoid catalyst structural collapse in LOM, thereby enabling enhanced catalytic activity and stability. Despite its unique advantage, electrocatalysts that can drive OER via OPM remain nascent and are increasingly recognized as critical. This review discusses recent advances in OPM-based OER electrocatalysts. It starts by analyzing three reaction mechanisms that guide the design of electrocatalysts. Then, several types of novel materials, including atomic ensembles, metal oxides, perovskite oxides, and molecular complexes, are highlighted. Afterward, operando characterization techniques used to monitor the dynamic evolution of active sites and reaction intermediates are examined. The review concludes by discussing several research directions to advance OPM-based OER electrocatalysts toward practical applications.

Methanol (MeOH) is introduced as a fluid balance agent to regulate Marangoni convection, thereby mitigating disordered colloidal particle motion. As a result, record power conversion efficiencies of 24.45% and 20.32% are achieved for small-area FAPbI3 devices (0.07 cm2) and large-area modules (21 cm2), respectively.

Abstract

Laboratory-scale spin-coating techniques are widely employed for fabricating small-size, high-efficiency perovskite solar cells. However, achieving large-area, high-uniformity perovskite films and thus high-efficiency solar cell devices remain challenging due to the complex fluid dynamics and drying behaviors of perovskite precursor solutions during large-area fabrication processes. In this work, a high-quality, pinhole-free, large-area FAPbI3 perovskite film is successfully obtained via scalable blade-coating technology, assisted by a novel bidirectional Marangoni convection strategy. By incorporating methanol (MeOH) as a fluid balance agent, the direction of Marangoni convection is effectively regulated, mitigating the disordered motion of colloidal precursor particles during the printing process. As a result, champion power conversion efficiencies (PCEs) of 24.45% and 20.32% are achieved for small-area FAPbI3 devices (0.07 cm2) and large-area modules (21 cm2), respectively. Notably, under steady illumination, the device reached a stabilized PCE of 24.28%. Furthermore, the unencapsulated device exhibited remarkable operational stability, retaining 92.03% of its initial PCE after 1800 h under ambient conditions (35 ± 5% relative humidity, 30 °C). To demonstrate the universality of this strategy, a blue perovskite light-emitting diode is fabricated, showing an external quantum efficiency (EQE) of 14.78% and an electroluminescence wavelength (EL) of 494 nm. This work provides a significant technique for advancing solution-processed, industrial-scale production of high-quality and stable perovskite films and solar cells.

The magneto-structural phases of 2D multiferroic NiI2 are studied using resonant magnetic X-ray scattering and X-ray diffraction. A change of magnetic symmetry from incommensurate collinear to helical spin-spiral at a structural transition involving a significant interlayer shear is observed. These results highlight the role for interlayer magnetic exchange for driving the magnetic ground state and associated spin-induced ferroelectricity in NiI2.

Abstract

Type-II multiferroicity from non-collinear spin order is recently explored in the van der Waals material NiI2. Despite the importance for improper ferroelectricity, the microscopic mechanism of the helimagnetic order remains poorly understood. Here, the magneto-structural phases of NiI2 are investigated using resonant magnetic X-ray scattering (RXS) and X-ray diffraction. Two competing magnetic phases are identified. Below 60 K, an incommensurate magnetic reflection ( q  ≈ [0.143,0,1.49] reciprocal lattice units) is observed which exhibits finite circular dichroism in RXS, signaling the inversion symmetry-breaking helimagnetic ground state. At elevated temperature, in the non-polar phase (60 K < T < 75 K), a distinct q ≈ [0.087,0.087,1.5] magnetic order is observed, attributed to a collinear incommensurate (CI) state. The first-order CI-helix transition is concomitant with a structural transition characterized by a significant interlayer shear, which drives the helimagnetic ground state as evidenced by a mean-field Heisenberg model including interlayer exchange and its coupling to the structural distortion. These findings identify interlayer magneto-structural coupling as the key driver behind multiferroicity in NiI2.

A medium-entropy Na3.2V1.1Ti0.2Al0.2Cr0.2Mn0.2Ni0.1(PO4)3 (ME-NVP) cathode is developed, featuring a phase-transition–free mechanism, reversible V3+/V4+/V5+ plateaus, rapid Na+ diffusion, and minimal volume change, as confirmed by comprehensive in/ex situ characterizations and theoretical calculations. Thus, the medium-entropy effect favors ME-NVP cathode an exceptional sodium storage performance with high-rate capacity and long-term cycle stability.

Abstract

Na3V2(PO4)3, based on multi-electron reactions between V3+/V4+/V5+, is a promising cathode material for SIBs. However, its practical application is hampered by the inferior conductivity, large barrier of V4+/V5+, and stepwise phase transition. Herein, these issues are addressed by constructing a medium-entropy material (Na3.2V1.1Ti0.2Al0.2Cr0.2Mn0.2Ni0.1(PO4)3, ME-NVP) with strong ME─O bond and highly occupied Na2 sites. Benefiting from the medium-entropy effect, ME-NVP manifests a phase-transition–free reaction mechanism, two reversible plateaus at 3.4 (V3+/V4+) and 4.0 V (V4+/V5+), and small volume change (2%) during Na+ insertion/extraction processes, as confirmed by comprehensive in/ex situ characterizations. Moreover, kinetics analysis illuminates the superior Na+ diffusion ability of ME-NVP. Thus, the ME-NVP cathode realizes remarkable rate capability of 67 mA h g−1 at 50C and a long-term lifespan over 10 000 cycles (capacity retention of 81.3%). Theoretical calculations further illustrate that the weak binding of Na+ ion in the channel is responsible for the rapid Na+ diffusion, accounting for the superior reaction kinetics. Moreover, rigid MEO6 octahedral and feasible rearrangement of Na+ ions can suppress the phase transition, thus endowing an ultrastable ME-NVP cathode. This work highlights the significant role of medium-entropy engineering in advancing the output voltage, cycling stability, and rate capability of polyanionic cathodes.

Nature Nanotechnology, Published online: 16 January 2025; doi:10.1038/s41565-024-01845-5

In ultrathin BiFeO3 films on LaAlO3, compressive strain of the substrate induces a polar skyrmion lattice with nanometre periodicity.

Nature Nanotechnology, Published online: 16 January 2025; doi:10.1038/s41565-024-01833-9

This Perspective discusses some of the challenges that pharmaceutical companies face in the use of lipid excipients at each stage of development, and proposes recommendations on how to streamline regulatory expectations.