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Structural basis for inhibition of Mycobacterium tuberculosis α-methylacyl-CoA racemase by 2-arylthiopropanoyl-CoA inhibitor analogs

High‐Performance Inverted Perovskite Quantum Dot Light‐Emitting Diodes Enabled by Dual Synergistic Interfacial Passivation

Abstract Inverted perovskite quantum dot light‐emitting diodes (Pe‐QLEDs) hold significant promise for next‐generation displays due to their compatibility with n ‐type thin‐film transistor‐driven active‐matrix panels, a critical advantage for industrial integration. However, interfacial reactions between the ZnO electron transport layer (ETL) and perovskite quantum dots (Pe‐QDs) induce severe degradation and fluorescence quenching, undermining device efficiency and operational stability. To resolve this, we introduce a dual synergistic interfacial passivation strategy employing pentaerythritol tetrakis(3‐mercaptopropionate) (PETMP) as a multifunctional buffer layer. The PETMP layer addresses interfacial incompatibility through two synergistic mechanisms: (I) Thiol groups in PETMP form robust S─Zn bonds with the ZnO ETL, passivating surface oxygen vacancies, improving film morphology, and reducing the electron injection barrier. (II) Concurrently, these thiols coordinate with undercoordinated Pb ions on the Pe‐QD surface, enhancing luminescence efficiency and suppressing non‐radiative recombination. This dual synergistic passivation strategy yields inverted green Pe‐QLEDs with a record maximum external quantum efficiency (EQE) of 24.35%, doubling the performance of conventional devices using polyvinyl pyrrolidone (PVP) buffers (EQE = 12.61%). Additionally, the optimized interface resulting from this strategy significantly enhances the operational stability of the devices. This work establishes PETMP‐based passivation as a transformative approach for high‐performance inverted Pe‐QLEDs and other optoelectronic devices.

Investigating the mechanism of oridonin against triple-negative breast cancer based on network pharmacology and molecular docking

Oridonin, a tetracyclic diterpenoid from Rabdosia rubescens (Hemsl.) Hara, exhibits various pharmacological actions, such as anti-tumor, anti-infective, and anti-inflammatory properties. However, the underlying pharmacological effects of oridonin on triple-negative breast cancer (TNBC) are yet to be elucidated. This study aims to examine the molecular mechanism and pharmacological impact of oridonin on TNBC using a network pharmacological strategy. Initially, the pharmacological databases and analysis platforms were employed to identify the potential targets of oridonin using the GeneCards website. The process of standardizing gene names involved the conversion of all target genes using the UniProt database. The acquired data was subjected to identify prevalent target genes. Then, these genes were examined using the STRING website to create a protein-protein interaction (PPI) network. In addition to Gene ontology (GO) functional annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis, a molecular docking analysis was conducted to validate the binding conformation between oridonin and the putative target genes. Among the selected 549 genes, 106 genes were found to interact with TNBC. The KEGG study suggested that the underlying mechanism could potentially be linked to the PI3K/Akt signaling pathway and proteoglycans in cancer. Moreover, molecular docking studies indicated that oridonin exhibited the strongest binding affinity with AKT1 (binding energy: −11.40 kcal/mol) and significant associations with other major targets, including EGFR, NFKB1, MAPK1, and SRC. In summary, the resultant findings based on molecular docking and network pharmacology could demonstrate the potential applicability of oridonin for treating TNBC through pathways like PI3K/Akt signaling.

ZBP1 orchestrates dynamic transitions between cell death pathways in response to arsenic and hyperosmotic stress

Rotational Flexibility in Dication Drives Ambient Temperature Ferroelectricity in an Organic–Inorganic Hybrid Halide

Abstract Organic–inorganic hybrid halides (OIHHs) have gained attention as potential ferroelectric materials due to structure‐property synergy of the organic and inorganic constituents. This study introduces an unusual Ag(I)‐based ternary OIHH, (4,4′‐bpy)Ag 2 Br 4 , featuring rotational flexibility in the organic dication to induce asymmetry into the structure. The compound crystallizes in a monoclinic crystal system with a non‐centrosymmetric polar P 2 1 space group at room‐temperature and undergoes a structural phase transition to a centrosymmetric phase ( P 2 1 / c ) at Curie temperature ( T c ) of 330 K which was further supported by differential scanning calorimetry (DSC), second harmonic generation (SHG) signals, dielectric anomaly, current‐voltage ( I–V ) profiles, and X‐ray photoelectron spectroscopy (XPS) data. Ferroelectricity is confirmed through polarization–electric field ( P – E ) hysteresis loops and piezoresponse force microscopy (PFM), exhibiting switchable polar domains. Density functional theory (DFT) calculations revealed electronic structures of the ferroelectric and paraelectric phases, identified the ( β ‐AgBr 2 ) n n− inorganic anionic chain contributing to the net polarization, and in general, complemented the experimental results. Comparative studies with structurally analogous Ag(I)‐based OIHHs lacking dication rotational freedom endorse the critical role of organic flexibility in driving ferroelectricity. This study provides insights into the role of organic dications in controlling ferroelectric behavior and offers a promising pathway for developing coinage metal‐based OIHH ferroelectric materials.

Annual U.S. healthcare expenditures attributable to cigar smoking between 2001 and 2018, overall and by payer

Background In 2022, 3.7% of U.S. adults currently smoked cigars. This study assesses cigar-smoking-attributable fractions in U.S. healthcare expenditures and associated annual healthcare expenditures overall and by payer, including publicly funded healthcare programs. Methods Data were obtained from the 2000, 2005, 2010, and 2015–2017 National Health Interview Survey linked with corresponding panels from the Medical Expenditure Panel Survey data through 2018. The final sample (n = 53,733) was restricted to adults aged 25 + . Estimates from four-part models and data from the Personal Health Care component of the 2001–2018 National Health Expenditures Accounts were combined to estimate fractions of and annual healthcare expenditures attributable to cigar smoking. All models controlled for sociodemographic characteristics and health-related behaviors. Results During 2001–2018, an estimated 1.8% (95% CI = 0.9%–3.4%) or $29.7 billion annually of U.S. healthcare expenditures could be attributed to cigar smoking. Most of this was funded by other third-party health insurance programs, a mix of private and public payers (e.g., Department of Veterans Affairs). Conclusions Cigar smoking creates a preventable financial burden on the U.S. healthcare system. Health consequences associated with cigar smoking may remain after successful quitting. The findings underscore the importance of preventing initiation of cigar smoking and providing evidence-based cessation methods to reduce the health and economic burden of cigar smoking.

The histone methyltransferase MLL1 complex inhibits expression of fetal hemoglobin

eDNA reveals spatial differences in species composition of protected rockfishes

Rare species are difficult and time-consuming to detect, but environmental DNA (eDNA) methods can be used to increase data availability for monitoring and management. Here, we use the diverse rockfish species flock (genus Sebastes ) to demonstrate the utility of eDNA as a tool for detecting rare and difficult to observe species in the marine environment. We describe the identification of a phylogenetically informative gene region for eDNA metabarcoding which uniquely identifies 93 of the 109 Sebastes species currently described. We then use this assay to differentiate rockfish communities in field samples collected from two sub-basins within Puget Sound in Washington, USA. Across three field sampling platforms, we found that sample collection location (distance from seafloor) has substantial impacts on rates of detection and on the diversity of species detected, likely reflecting the habitat preferences of the target species. This metabarcoding region provides an important tool for rockfish monitoring, both within Puget Sound and across the North Pacific. More generally, this work speaks to the usefulness of eDNA data as a tool for the conservation and management of rare and difficult-to-distinguish species.

Metformin attenuates O-GlcNAc modification to improve renal function via AMPK/mTOR signaling in diabetic nephropathy

Rapid, without focus stacking, 3D photogrammetric digitization of cockroaches

Natural history collections are seen as treasure troves we need to both preserve and study. Campaigns of 2D and 3D digitization have emerged in numerous institutions as an opportunity to maximize specimen’s diffusion while limiting the risk associated to their manipulation. 2D and especially 3D models can be used for various scientific purposes. Because of different obstacles (time, technical limitations, cost, etc.), the digitization of small and numerous objects, like insect specimens, remains to be improved. Among the existing options, photogrammetry is generally less expensive than µCT-scan, two of the main methods for digitizing objects, but it remains time-consuming for small objects because focus staking—which involves a multiplication of shots—is strongly recommended to increase the depth of field. Here, we present a fast and inexpensive photogrammetric pipeline that generates 3D models of cockroaches of sufficient quality for morphometric geometric analyses. By focusing on a region of interest in the specimens—identified according to the goal of the digitization—the depth of field is reduced by comparison with the one encompassing the whole specimen. Thus, we eliminated the need for focus stacking. We produced 3D models for 62 species and compared 13 of the photogrammetric 3D models qualitatively and quantitatively with those obtained from µCT-scans of the same 13 species. We conclude that the 3D models produced with our pipeline are of sufficient quality to perform geometric morphometric analyses, which will be published elsewhere in a companion paper. Despite a few limitations, we hope that our pipeline will generate opportunities for the study of small objects like insects, one of the most species-rich group on Earth and in natural history collections.

Acetoacetate ameliorates skin fibrosis by modulating TGF-β1–Smad2/3 signaling pathway

Boron–Oxygen Lewis Pairs Integrated Multi‐Resonant Thermally Activated Delayed Fluorescence Emitter for High‐Performance BT.2020 Deep‐Blue OLEDs

Abstract The quest for deep‐blue emitters meeting the stringent BT.2020 color standard—requiring an ideal peak, narrow full‐width‐at‐half‐maximum (FWHM), and minimal singlet‐triplet energy splitting (ΔEST)—is often hampered by the complex synthesis of multi‐resonant thermally activated delayed fluorescence (MR‐TADF) molecules. This work introduces a novel, selective strategy: incorporating B–O Lewis pairs into an MR‐TADF system via intramolecular electrophilic borylation. By carefully controlling a tandem bora‐Friedel–Crafts reaction, we synthesized the saddle‐shaped molecule 3BON , despite the typical vulnerability of annulated boron structures to retro‐bora‐Friedel–Crafts reactions. 3BON exhibits highly efficient deep‐blue TADF emission, with a peak at 440 nm, a narrow FWHM of 18 nm, and a low ΔEST of 0.12 eV. Compared to its parent emitter, DABNA‐1, 3BON achieves a simultaneous blue‐shift, narrowed FWHM, and reduced ΔEST. Principal Interacting Orbital (PIO) analysis indicates that unique orbital interactions involving the B–O Lewis pairs destabilize energy levels, causing the blue‐shifted emission. Organic light‐emitting diodes (OLEDs) utilizing 3BON demonstrated state‐of‐the‐art performance. The device achieves a maximum external quantum efficiency (EQE max ) of 24.8% (at 9 wt.%) with ultra‐deep blue narrowband emission (443 nm peak, 24 nm FWHM; CIE: 0.1554, 0.0454), fully satisfying the BT.2020 standard. Furthermore, 3BON's unique saddle‐shaped architecture imparts remarkable doping tolerance, with EQE max climbing up to 26.3% across a wide 0.520 wt.% doping range. A hyperfluorescent (HF) device also showed excellent performance (EQE max = 23.8%, 441 nm peak, 19 nm FWHM). These results represent one of the best BT.2020‐compliant OLED performances reported to date.

Design and implementation of a graphene–polyimide-based H-slot terahertz antenna for wireless and biomedical applications

THz antennas, which function at high speeds, frequencies, and data rates, were developed in response to the increased need for high-speed communication equipment. In this work, a MIMO antenna operating between 2.25 and 2.85 THz is built and optimised with partial ground. The designed antenna possesses H-shaped slots and circular rings over the patch to enhance the antenna performance. The proposed antenna states the isolation loss value of 50 dB across the operating frequency with a bandwidth of 0.6 THz. In the manuscript, two antennas were designed, the first one having only circular slots and the second one, in addition to the circular slots over the patch, also including H-slots. The antenna has the highest gain value of 8.9 dBi in the design. Optimising the design is performed using parametric optimisation and geometrical parameters. The suggested antenna measures 50 x 50 x 100 µm². The suggested antenna can be used for high-speed communications because of its high gain and operating frequency applicability. Antenna having a low Error Correlation Coefficient (ECC) value of 0.08, a high Diversity Gain (DG) value with minimum mutual coupling < -25dB, an optimum Total Active Reflection Coefficient (TARC) value of -55dB and a Mean Effective Gain (MEG) value of 8.5dB. These antennae also operate across biomedical imaging applications, wireless network applications, beam scanning applications, and satellite communication applications with reflection coefficient values < -25dB.This study supports UN SDG 9: Industry, Innovation and Infrastructure by advancing sustainable THz communication technologies, and contributes to SDG 3: Good Health and Well-Being through its biomedical imaging applications.

Mechanistic overview of protein-specific polysialylation

The EQo-Mental project: A protocol for a mixed-methods study on occupational balance and mental health in parents of children with developmental delays

Background Parents of children with developmental delays (DD) often face significant challenges that affect their mental health and occupational balance. While early intervention services traditionally focus on child development, the occupational needs and well-being of parents remain underexplored. The EQo-Mental project aims to examine the association between parental mental health, occupational balance, and meaningful activity engagement, and to co-develop family-centred strategies that promote well-being in early intervention contexts. Methods This sequential mixed-methods study includes two phases. The quantitative phase will involve approximately 700 parents of children aged 0–6 years attending early intervention centres in Alicante, Spain. This phase comprises two components: (1) the psychometric validation of the Spanish versions of two occupational measures—the Occupational Balance Questionnaire (OBQ-E) and the Engagement in Meaningful Activities Survey (EMAS)—and (2) a cross-sectional analysis examining associations between occupational and mental health outcomes. Participants will complete a sociodemographic questionnaire along with validated self-administered instruments assessing occupational balance, meaningful activity engagement, stress, anxiety, depression, and psychological well-being. In the qualitative phase, participatory sessions and focus groups will be conducted with a subsample of parents and key stakeholders to explore perceived occupational and mental health needs and to co-design actionable strategies for improving occupational balance and family well-being. Participant recruitment began in November 2023 and is ongoing; data collection is expected to be completed by October 2025. Analyses Psychometric analyses will first be conducted to evaluate the validity and reliability of the OBQ-E and EMAS. Next, descriptive analyses and multiple regression models adjusted for potential confounders will be used to explore associations between occupational and mental health variables. Phase 2 consists of a participatory-action research process, including discussion groups and a multi-stakeholder focus group. Qualitative data will be analysed using reflexive thematic analysis. Outcomes Findings from EQo-Mental will inform the design of evidence-based, family-centred strategies that support occupational balance, parental well-being, and engagement in meaningful activities. By addressing the occupational needs of parents, the project seeks to foster more resilient families and strengthen early intervention services through an inclusive, occupation-focused approach.

A β-lactamase inhibitory protein mutant displays high potency and a broad inhibition profile due to an altered binding mode with β-lactamases

Assessing PFAS exposure in Rocky Mountain elk (Cervus canadensis nelsoni) populations adjacent to the former Rocky Flats nuclear site: A preliminary analysis

The Rocky Flats National Wildlife Refuge is located west of Denver, Colorado, USA along the central Front Range of the Rocky Mountains. The wildlife refuge property includes a former U.S. Department of Energy nuclear weapons facility, hereafter “the former Rocky Flats site.” Owing to the storage and use of aqueous film forming foam (AFFF) at the on-site fire department, industrial areas of the former Rocky Flats site has detectable concentrations of per- and polyfluoroalkyl substances (PFAS) in groundwater (range perfluorooctanesulfonic acid [PFOS]: not detected [ND] [<0.75]–350 ng/L, perfluorooctanoic acid [PFOA]: ND [<0.55]–160 ng/L) and surface water (range PFOS: 1.9–18 ng/L, PFOA: ND [<0.55]–13 ng/L). AFFF is a known source of PFOA and PFOS contamination in the environment. PFAS are a class of thousands of human-made chemicals considered ubiquitous in the environment globally. Exposure to these chemicals can negatively impact the health of both humans and wildlife. In March 2023, we used a draft version of the U.S. Environmental Protection Agency Method 1633 to analyze liver and muscle tissues from 17 Rocky Mountain elk ( Cervus canadensis nelsoni ) to detect the presence of PFAS. We collected samples from 15 elk residing at the former Rocky Flats site and 2 elk at locations with no known PFAS contamination (i.e., control locations). Neither PFOA nor PFOS was detected in elk muscle tissues collected at the former Rocky Flats site or the control locations. The average method detection limits for PFOA and PFOS in muscle tissues were 0.166 ng/g and 0.154 ng/g respectively. PFOS was detected within 100% of the liver tissues harvested from elk at the former Rocky Flats site and both control locations. The average PFOS concentrations in liver tissues collected at the former Rocky Flats site and control locations were 16.23 ± 4.40 ng/g (maximum concentration 34.20 ng/g) and 8.75 ± 3.02 ng/g (maximum concentration 9.40 ng/g), respectively. To the best of our knowledge, this is the first study examining PFAS concentrations in elk. Although we were unable to draw conclusions owing to the relatively small sample size, PFOS concentrations in liver tissues collected at the former Rocky Flats site were low, consistent with those detected in other species of wildlife studied in the United States with known PFAS contamination.

DNA-damage dependent isoform switching modulates RIF1 DNA repair complex assembly and phase separation

Unbiased Photoelectrochemical H ₂ O ₂ Production Using Boron Nitride for Both Photogenerated Hole Extraction and Oxygen Reduction Selectivity Regulation

Abstract Unbiased photoelectrochemical (PEC) H 2 O 2 production offers a sustainable alternative to the energy‐intensive anthraquinone process, yet faces critical bottlenecks: inefficient charge separation, uncontrolled two‐electron oxygen reduction reaction (2e − ORR) pathways, and high‐purity O 2 requirements. Herein, we report an efficient unbiased PEC system for H 2 O 2 production under ambient air. The key innovation involves the strategic implementation of boron nitride (BN) serves a dual role as a charge transfer mediator and ORR pathway modulator. At the photoanode, BN functions as a hole‐extraction layer, because of elevating the valence band position of BiVO 4 (BVO), effectively suppressing interfacial charge recombination between the BVO photoanode and the FeNiOOH cocatalyst, resulting in a photocurrent density achieving 6.08 mA cm −2 at 1.23 V RHE . At the cathode, BN acts as a “reaction helmsman”, tuning the binding energy of the *OOH intermediate and enabling the CoPc + BN to achieve 97% 2e − ORR selectivity at −0.3 V Ag/AgCl . As a result, the integrated system delivers a sustained H 2 O 2 production rate of 1.22 ± 0.14 mM cm −2  h −1 over 16 consecutive cycles. This study provides an innovative solution to address the key challenges in bias‐free H 2 O 2 production.

Multivariate analysis of Iris meda Stapf based on phenological and morphological characteristics

The genus Iris represents one of the most diverse and horticulturally valuable ornamental groups worldwide, with considerable ecological, morphological, and genetic importance. However, despite its significance, many species remain poorly characterized, and the extent of intraspecific variability is largely underexplored, limiting their effective utilization in breeding and conservation. Iris meda Stapf, a narrowly distributed yet morphologically diverse species native to the Irano-Turanian region, was investigated in this study to address this knowledge gap and to assess its phenotypic variation. A total of 108 wild accessions from the Tafresh region of Iran were evaluated based on 41 morphological traits. Comprehensive multivariate analysis revealed substantial phenotypic diversity, with particularly high coefficients of variation in leaf shape (62.56%), crest color (59.79%), and standard color (46.35%). Elite genotypes such as ‘I. meda-3’, ‘I. meda-7’, and ‘I. meda-36’ were identified for their superior floral traits, while morphologically divergent outliers—including ‘I. meda-10’, ‘I. meda-23’, and ‘I. meda-59’—exhibited notable divergence in PCA biplots. Strong correlations were observed between flower diameter and surface area ( r  = 0.80; β  = 0.87) and between fall length and beard length ( β  = 0.63). Principal component analysis indicated that floral architecture, vegetative growth, and pigmentation were the primary contributors to variation. These findings highlight the considerable genetic resources available in I. meda for ornamental breeding and conservation programs.