bluuebunny/crossref_metadata_2025 huggingface dataset:
Expanding the phenotype of neurofibromatosis type 1 microdeletion syndrome
Authors: Garzon Jenny P. , Patete Andrea , Aschbacher‐Smith Lindsey , Qu'd Dima , Kelly‐Mancuso Geraldine , Raski Carolyn R. , Weisman Allison Goetsch , Hankins Madison , Sawin Michael , Kim Katherine , Drackley Andy , Zeid Janice , Weaver K. Nicole , Hopkin Robert J. , Saal Howard M. , Charrow Joel , Schorry Elizabeth , Listernick Robert , Simpson Brittany N. , Prada Carlos E.
Published: July 2024

Neurofibromatosis type 1 (NF‐1) microdeletion syndrome accounts for 5 to 11% of individuals with NF‐1. The aim of our study was to characterize a large cohort of individuals with NF‐1 microdeletion syndrome and expand its natural history. We conducted a retrospective chart review from 1994 to 2024 of individuals with NF‐1 microdeletion syndrome followed at two large Neurofibromatosis Clinics. This cohort consists of 57 individuals with NF‐1 microdeletion syndrome (28 type‐1, 4 type‐2, 2 type‐3, 9 atypical deletions, and 14 indeterminate). We note 38/56 (67.9%) with describable facial features, 25/57 (43.8%) with plexiform neurofibromas, and 3/57 (5.2%) with malignant peripheral nerve sheath tumors within the observed period. The most reported neurodevelopmental manifestations from school‐age or older individuals included 39/49 (79.6%) with developmental delays, 35/49 (71.4%) with expressive and/or receptive speech delays, 33/41 (80.5%) with learning difficulties, and 23/42 (54.8%) with attention‐deficit/hyperactivity disorder. Full‐scale IQ testing data was available for 22 individuals (range: 50–96). Of the 21 adults in this cohort, 14/21 (66.7%) graduated from high school, and 4/21 (19.0%) had some college experience. Many individuals received academic support (i.e., special education, individual education plan). In this cohort, neurocognitive outcomes in adults varied more than typically reported in the literature.
Green Solvent γ‐Valerolactone (GVL) Facilitates Photocatalytic C−H Bond Activation
Authors: Wu Xuejiao , Xie Shunji , Vangestel Dario , Zhao He , Sels Bert
Published: July 2024

Solvents can significantly influence chemical reactions in condensed phases. Their critical properties are increasingly recognized in various research domains such as organic synthesis and biomass valorization. However, in semiconductor photocatalysis, solvents are primarily viewed as mediums for dissolving and diffusing substances, with their potential beneficial effects on photocatalytic conversions often overlooked. Additionally, common photocatalysis solvents like acetonitrile (ACN) pose serious safety and environmental concerns. In this study, we demonstrate that novel and safe green solvents, such as γ‐valerolactone (GVL), can significantly enhance the performance of semiconductor photocatalysis for C−H bond activation. Non‐specific solvent‐solute interactions are the primary contributors to increased photocatalytic activity in the self‐coupling of benzylic compounds. Specifically, GVL′s large dielectric constant and high refractive index lower the energy barrier for the rate‐determining C−H bond activation step, facilitating a faster coupling reaction. The versatility of GVL is further demonstrated in reactions with multiple reagents and in various oxidation and reduction photocatalytic systems beyond classic C−H bond activation. This work not only pioneers the use of green solvents but also provides comprehensive insights for proper solvent selection in semiconductor photocatalysis.
Stable Lithium Oxygen Batteries Enabled by Solvent‐diluent Interaction in N,N‐dimethylacetamide‐based Electrolytes
Authors: Yang Dong‐Yue , Du Jia‐Yi , Yu Yue , Fan Ying‐Qi , Huang Gang , Zhang Xin‐Bo , Zhang Hong‐Jie
Published: July 2024

In the pursuit of next‐generation ultrahigh‐energy‐density Li−O2 batteries, it is imperative to develop an electrolyte with stability against the strong oxidation environments. N,N‐dimethylacetamide (DMA) is a recognized solvent known for its robust resistance to the highly reactive reduced oxygen species, yet its application in Li−O2 batteries has been constrained due to its poor compatibility with the Li metal anode. In this study, a rationally selected hydrofluoroether diluent, methyl nonafluorobutyl ether (M3), has been introduced into the DMA‐based electrolyte to construct a localized high concentration electrolyte. The stable −CH3 and C−F bonds within the M3 structure could not only augment the fundamental properties of the electrolyte but also fortify its resilience against attacks from O2− and 1O2. Additionally, the strong electron‐withdrawing groups (−F) presented in the M3 diluent could facilitate coordination with the electron‐donating groups (−CH3) in the DMA solvent. This intermolecular interaction promotes more alignments of Li+‐anions with a small amount of M3 addition, leading to the construction of an anion‐derived inorganic‐rich SEI that enhances the stability of the Li anode. As a result, the Li−O2 batteries with the DMA/M3 electrolyte exhibit superior cycling performance at both 30 °C (359th) and −10 °C (120th).
Toggling the Oxygen Affinity between Anthracenes and Naphthalenes
Authors: Fudickar Werner , Linker Torsten
Published: July 2024

We present the design of an anthracenyl–naphthyl (ANT‐NAPH) dyad and its application as a luminescent 4‐stage photo switch. Both segments can individually react with singlet oxygen to switch off an optical response. In their initial form the larger ANT component reacts significantly faster and thus an ANTO2‐NAPH stage is turned on, observed by optical response of the remaining NAPH. To reduce its reactivity, ANT is substituted with two pyridine rings. This concept is first investigated and quantified on ANT and NAPH as separated molecules. Upon protonation the reaction of ANT becomes significantly slower. For the three possible pyridyl isomers this effect increases along the order meta<para<ortho. With the pyridyl nitrogen in ortho position the reaction completely toggles from ANT to NAPH. Application of this concept on the dyad allows to turn on the ANT‐NAPHO2 stage with optical response of the remaining ANT. The sequence of protonation‐oxygenation‐neutralization is thereby the only possible way to isolate the unfavored form ANT‐NAPHO2. In the dyad ANT and NAPH are directly attached and their coupling constitutes a non‐oxygenated third stage, where the NAPH luminescence is quenched and ANT luminescence is enhanced. Reaction of both NAPH and ANT to ANTO2‐NAPHO2 constitutes the fourth dark stage.
Effect of polyol bonding agent on the mechanical properties of hydroxyl‐terminated block copolyether based composite propellant with low aluminum content
Authors: Yang Wu , Liu Wenhao , Zheng Mengze , Zhu Cong , Li Tianqi , Luo Yunjun
Published: July 2024

A polyol bonding agent (BA) was utilized to enhance the mechanical properties of propellant with low aluminum content. Through scanning electron microscope (SEM) and X‐ray photoelectron spectroscopy (XPS) analysis, it was discovered that BA can physically bond to the surfaces of ammonium perchlorate (AP) and hexogen (RDX). The results of mechanical testing showed that the use of BA can significantly improve the mechanical properties of propellants. Specifically, as the amount of BA increases, the maximum tensile strength (σm) of the propellant also increases, the fracture elongation (εb) initially increases and then decreases, the “dewetting ratio” continuously decreases, and the creep resistance of the propellant also increases. At a BA content of 0.2%, the σm of the propellant reaches 0.6 MPa, the εb exceeds 50%, and the “dewetting ratio” is less than 1.1.
Variant calling in polyploids for population and quantitative genetics
Authors: Phillips Alyssa R.
Published: July 2024

Advancements in genome assembly and sequencing technology have made whole genome sequence (WGS) data and reference genomes accessible to study polyploid species. Compared to popular reduced‐representation sequencing approaches, the genome‐wide coverage and greater marker density provided by WGS data can greatly improve our understanding of polyploid species and polyploid biology. However, biological features that make polyploid species interesting also pose challenges in read mapping, variant identification, and genotype estimation. Accounting for characteristics in variant calling like allelic dosage uncertainty, homology between subgenomes, and variance in chromosome inheritance mode can reduce errors. Here, I discuss the challenges of variant calling in polyploid WGS data and discuss where potential solutions can be integrated into a standard variant calling pipeline.
Quality of life and patient‐reported toxicities in patients with advanced Merkel cell carcinoma treated with combined nivolumab and ipilimumab with or without stereotactic body radiation therapy
Authors: Hoogland Aasha I. , Brohl Andrew S. , Small Brent J. , Michael Lauren , Wuthrick Evan , Eroglu Zeynep , Blakaj Dukagjin , Verschraegen Claire , Khushalani Nikhil I. , Jim Heather S. L. , Kim Sungjune
Published: July 2024

Background

Merkel cell carcinoma is a rare skin cancer associated with poor survival. Based on a previous Phase II trial of adults with advanced Merkel cell carcinoma by Kim and colleagues (2022), there is now a strong rationale for combination therapy (i.e., nivolumab and ipilimumab) to become a treatment option for patients with advanced Merkel cell carcinoma. The goal of this paper was to report on the secondary outcome of quality of life (QOL) among patients on this trial.

Methods

Patients receiving combined nivolumab and ipilimumab, with or without stereotactic body radiation therapy (SBRT), completed the European Organisation for Research and Treatment of Cancer (EORTC) QLQ‐C30 prior to starting treatment and every 2 weeks thereafter. Changes in QOL during treatment and post‐treatment were evaluated using piecewise random‐effects mixed models. Exploratory analyses compared changes in QOL between study arms. The original trial was registered with ClinicalTrials.gov (NCT03071406).

Results

Study participants (n = 50) reported no changes in overall QOL (ps > 0.05), but emotional functioning improved during treatment (p = 0.01). Cognitive and social functioning worsened post‐treatment (ps < 0.01). In general, patients treated with combination therapy only (n = 25) reported no change in QOL over time, whereas patients also treated with SBRT (n = 25) consistently demonstrated worsening QOL post‐treatment.

Conclusion

QOL is generally preserved in patients treated with combination therapy, but the addition of SBRT may worsen QOL. Combined with clinical efficacy data published previously, results support the use of combination therapy with nivolumab and ipilimumab as a treatment option for patients with advanced Merkel cell carcinoma.
Cellular communication network 1 promotes CASP2 mRNA expression but suppresses its protein translation in esophageal adenocarcinoma
Authors: Xu Ruize , Jiang Zhenyu , Meng Xianmei , Xing Lingling , Aladan Wula , Chi Baoxing , Dang Tong , Chai Jianyuan
Published: July 2024

Induction of apoptosis in tumor cells is one of the best ways to cure cancer. While most apoptosis requires a chain of caspase activation, CASP2 can do this all by itself. The matricellular protein cellular communication network 1 (CCN1) is known for supporting some cancer growth but suppressing others. Esophageal adenocarcinoma (EAC) belongs to the latter. CCN1 is capable of inducing TRAIL‐mediated apoptosis in EAC cells. This study found that CCN1 upregulated CASP2 transcription but not its translation in EAC cells because, on one hand, CCN1 downregulated p16 and p21, which increased RB1 phosphorylation allowing E2F1 to transcribe more CASP2 mRNA, on the other hand, CCN1 also upregulated HuR, which is bound to CASP2 mRNA species and blocked its protein translation. As a result, CASP2 contributed nothing to CCN1‐induced EAC cell apoptosis. On the contrary, CCN1 promoted CASP3, not only in its transcription but also in its translation and activation, which established the basis for CCN1‐induced EAC cell apoptosis.
NOx Emission Trend Prediction for the Waste Incineration Process Based on Partial Least Squares with the Time Series Reconstruction and Exponential Weighting
Authors: Li Zhenghui , Yao Shunchun , Chen Da , Li Longqian , Lu Zhimin , Yu Zhuliang
Published: July 2024

Accurate prediction of nitrogen oxide (NOx) emission is crucial for effectively controlling pollution in municipal solid waste incineration processes. However, it is challenging to construct a NOx emission prediction model with high prediction accuracy and easy engineering application. To address this, this paper proposes a robust and easily applicable NOx emission trend prediction model oriented to engineering applications, utilizing the partial least squares (PLS) method with the time series reconstruction and exponential weighting (TS‐EW‐PLS). The model is verified using operational data from an actual waste incineration process, and comparative analysis with the PLS model showed that the TS‐EW‐PLS model achieved a remarkable improvement of 27–38 % in prediction performance.
Design of an Electrochemical Device for the Detection of Alkaline Phosphatase Inhibitors in Seawater
Authors: Sáenz‐Espinar María J. , Hafed‐Khatiri Salma , Salinas‐Torres David , Montilla Francisco , Huerta Francisco
Published: July 2024

The present contribution describes an electrochemical system for the detection of alkaline phosphatase (ALP) enzyme inhibitors in seawater medium. Fluorescence spectroscopy and thermal unfolding results suggest that the state of free ALP is affected in this medium, yet the protein remains active. The enzyme activity can be evaluated using hydroquinone diphosphate as the substrate, with hydroquinone as the electrochemically monitored product. It has been demonstrated that encapsulation in conventional and organic modified silica matrices maintains ALP integrity, although diffusion across the formed monoliths hinders the electrochemical response. ALP@Phenyl‐modified silica exhibits the best performance due to higher affinity between substrate molecules and aromatic moieties and, probably, to larger pore size. This electrochemical system can detect and quantify calyculin A in seawater at sub‐nanomolar concentrations and it can also be employed for the development of electrochemical biosensors tailored for the marine environment.
Novelty and Similarity: Detection Using Data‐Driven Soft Independent Modeling of Class Analogy
Authors: Rodionova O. Y. , Kurysheva N. I. , Sharova G. A. , Pomerantsev A. L.
Published: July 2024

Novelty and similarity are complex concepts that have numerous applications in various fields, including biology and medicine. Novelty detection is a technique used to determine whether a dataset is different from another dataset considered as a standard. Similarity detection is a technique used to determine whether two datasets belong to the same population. Novelty and similarity are closely related concepts; however, they are not complementary. Novelty is a much more popular one, and there are many publications about it. Similarity is, in fact, a new concept that has not yet been explored in depth. Classical statistics offers a large number of tools suitable for detection of similarity, mostly in the univariate case. At the same time, this topic has been insufficiently studied in the field of machine learning. This paper suggests several principles which are important for this research and also present a method for the detection of both novelty and similarity. The method uses a one‐class classifier, known as Data‐Driven Soft Independent Modeling of Class Analogy (DD‐SIMCA). Three examples illustrate our approach. The first one uses simulated data and demonstrates the performance of DD‐SIMCA for the detection of novelty. The second example uses a real‐world data and studies similarity of two groups of patients who participate in the evaluation of the effectiveness of the treatment of primary angle‐closure glaucoma. The third example comes from medical diagnostics. This is a real‐world publicly available data used for comparison of various classification algorithms.
Redox‐Triggered Reversible Switching between Dynamic and Quasi‐static α‐Helical Peptides
Authors: Ousaka Naoki , MacLachlan Mark J. , Akine Shigehisa
Published: July 2024

We report the reversible transformation between a singly stapled dynamic α‐helical peptide and a doubly stapled quasi‐static one through redox‐triggered dithiol/disulfide conversions of a stapling moiety. This process allows the rate of interconversion between the right‐handed (P) and left‐handed (M) α‐helices to be altered by a factor of approximately 103 before and after the transformation. An as‐obtained doubly stapled α‐helical peptide, which is composed of an achiral peptide having an l‐valine carboxylic acid residue at the C‐terminus, a disulfide‐based reversible staple, and a biphenyl‐based fixed staple, adopts an (M)‐rich form as a kinetically trapped state. The (M)‐rich helix was subsequently transformed into the thermodynamically stable (P)‐rich form in 1,1,2,2‐tetrachloroethane with the half‐life time (t1/2) of approximately 44 days at 25 °C. Reduction of the doubly stapled peptide with tri‐n‐butylphosphine in tetrahydrofuran/water (10/1, v/v) produced the corresponding singly stapled dynamic α‐helical peptide bearing two thiol groups at the side chains, which underwent solvent‐induced reversible helicity inversion. The resulting dithiol of the singly stapled peptide could be reoxidized to form the original doubly stapled form using 4,4’‐dithiodipyridine. Furthermore, the P/M interconversion of a doubly stapled peptide with two flexible hydrocarbon‐based staples is considerably more rapid than that with more rigid staples.
Co‐Catalyzed Dehydrogenation Claisen Condensation of Secondary Alcohols with Esters†
Authors: Gao Shuo , Hao Wentao , Ji Yuqi , Li Xiulin , Zhang Chunyan , Zhang Guoying
Published: July 2024

Comprehensive Summary

Catalytic dehydrogenation, with its exceptional atom economy and chemoselectivity, offers a highly desirable yet challenging approach for converting multiple environmentally friendly alcohols into crucial molecules. Furthermore, the utilization of catalysts based on abundant elements found on Earth for alcohol dehydrogenation to produce acryl ketone holds significant promise as a versatile strategy in synthesizing key building blocks for numerous pharmaceutical applications. The present study describes a practical Co‐catalyzed cascade dehydrogenative Claisen condensation of secondary alcohols with esters, facilitating the synthesis of a wide range of 3‐hydroxy‐prop‐2‐en‐1‐ones. We introduce a catalytic system based on novel and scalable indazole NNP‐ligands coordinated to cobalt for efficient dehydrogenations of secondary alcohols, and propose a plausible reaction mechanism supported by control experiments and labeling studies. Notably, it allows for the streamlined synthesis of multiple pharmaceuticals in one‐pot.
Functionalization of Boranes through Thiol/Oxygen Catalysis†
Authors: Tao Hongyi , Lyu Hairong
Published: July 2024

Comprehensive Summary

A greener and more convenient alternative to traditional methods for the generation of thiyl radical as hydrogen atom transfer (HAT) catalyst is developed, using molecular oxygen to oxidize thiol without the need for chemical initiators or light irradiation. The thiol/oxygen catalysis enables selective and efficient difunctionalization of borane.
In‐situ Post‐Synthetic Treatment of CsPbBr3 Perovskite Nanocrystals in Nanoporous Silica Microspheres
Authors: Tatarinov Danila A. , Xie Jinfeng , Qian Qingyi , Wang Qingqing , Maslova Nadezhda A. , Borodina Lyubov N. , Litvin Aleksandr P. , Huang He
Published: July 2024

Comprehensive Summary

Inorganic lead halide perovskite (LHP) nanostructures, represented by formula CsPbX3 (X = Cl, Br, I), have garnered considerable interest for their exceptional optical properties and diverse applications. Despite their potential, challenges such as environmental degradation persist. In‐situ synthesis within protective materials pores is a promising way to address this issue. However, confining perovskite nanostructures into porous matrices during the synthesis can limit their photoluminescence quantum yield (PL QY) and tunability of optical properties. Various post‐treatment approaches exist to improve the properties of LHP and achieve their desired functionalities, but these strategies have not been explored for LHP confined in mesoporous matrices. Here, we demonstrate the efficacy of in‐situ post‐synthetic treatments to improve the optical properties of CsPbBr3 nanocrystals grown in nanoporous silica microspheres. Surface passivation with Br– ion‐containing precursors boosts PL QY, while anion‐assisted cation doping with Mn2+ ions introduces a new PL band. The adjustment of precursor amount and doping duration enables precise control over the optical properties of LHP, while additional coating with a SiO2 shell enhances their stability in polar solvents, expanding the potential applications of these composites.
Bringing HPE Slingshot 11 support to Open MPI
Authors: Shehata Amir , Naughton Thomas , Bernholdt David E. , Pritchard Howard
Published: July 2024

The Cray HPE Slingshot 11 network is used on the new exascale systems arriving at the U.S. Department of Energy (DoE) laboratories (e.g., Frontier, Aurora, Perlmutter). As such, the support of this network is an important capability to meet the needs of exascale applications. This article highlights recent work to develop supporting infrastructure to enable Open MPI to efficiently support these new platforms. A key component of this effort involves development of a new Open Fabrics Interface (OFI) provider, LinkX. We discuss the design and development of enhancements that take advantage of the new Slingshot 11 network and AMD GPUs. We include performance data from tests on the Frontier supercomputer using synthetic communication benchmarks, and the vendor provided MPI as a baseline for comparison. The tests demonstrate full functionality of Open MPI on the system and initial results show favorable performance when compared to the highly tuned vendor implementation.
Synthesis and Photophysical Properties of Small Helical Carbon Nanohoops Combined with Computational Studies on Racemization Pathway
Authors: Chu Zhuping , Liu Hengxin , Wu Tianlu , Wang Chen , Wei Wen‐Mei , Zheng Ren‐Hui , Lu Dapeng , Liu Rui
Published: July 2024

We herein report the facile synthesis of two helical carbon nanorings with small ring sizes, cyclo[6]paraphenylene‐1,5‐naphthylene ([6]CPPNap1,5), and cyclo[6]paraphenylene‐1,5‐anthrylene ([6]CPPAn1,5). The structures were determined by NMR and HR‐MS. X‐ray single‐crystal data of [6]CPPNap1,5 was also achieved. The strain energy and racemization processes were investigated by DFT calculations. The reduced ring sizes result in increased ring strain and elevated energy barriers. The photophysical properties were studied by UV‐Vis absorption, fluorescence emission, and time‐resolved fluorescence decay.
Describing and Sharing Molecular Visualizations Using the MolViewSpec Toolkit
Authors: Bittrich Sebastian , Midlik Adam , Varadi Mihaly , Velankar Sameer , Burley Stephen K. , Young Jasmine Y. , Sehnal David , Vallat Brinda
Published: July 2024

With the ever‐expanding toolkit of molecular viewers, the ability to visualize macromolecular structures has never been more accessible. Yet, the idiosyncratic technical intricacies across tools and the integration complexities associated with handling structure annotation data present significant barriers to seamless interoperability and steep learning curves for many users. The necessity for reproducible data visualizations is at the forefront of the current challenges. Recently, we introduced MolViewSpec (homepage: https://molstar.org/mol‐view‐spec/, GitHub project: https://github.com/molstar/mol‐view‐spec), a specification approach that defines molecular visualizations, decoupling them from the varying implementation details of different molecular viewers. Through the protocols presented herein, we demonstrate how to use MolViewSpec and its 3D view–building Python library for creating sophisticated, customized 3D views covering all standard molecular visualizations. MolViewSpec supports representations like cartoon and ball‐and‐stick with coloring, labeling, and applying complex transformations such as superposition to any macromolecular structure file in mmCIF, BinaryCIF, and PDB formats. These examples showcase progress towards reusability and interoperability of molecular 3D visualization in an era when handling molecular structures at scale is a timely and pressing matter in structural bioinformatics as well as research and education across the life sciences. © 2024 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Creating a MolViewSpec view using the MolViewSpec Python package

Basic Protocol 2: Creating a MolViewSpec view with reference to MolViewSpec annotation files

Basic Protocol 3: Creating a MolViewSpec view with labels and other advanced features

Support Protocol 1: Computing rotation and translation vectors

Support Protocol 2: Creating a MolViewSpec annotation file
CO2‐to‐CO Conversion with Over 10 % Efficiency Using Earth Abundant System in a Single‐Compartment Reactor with Oxygen Tolerant Mn Complex Catalyst
Authors: Nishi Teppei , Sakamoto Naonari , Sekizawa Keita , Morikawa Takeshi , Sato Shunsuke
Published: July 2024

The direct conversion of CO2 in the presence of O2 to value‐added chemicals is a potentially important cost‐effective solar‐driven CO2 reduction technology. The present work demonstrates the solar‐powered conversion of CO2 to CO with greater than 10 % efficiency using a Mn complex cathode and an Fe−Ni anode in a single‐compartment reactor without an ion exchange membrane in conjunction with a Si solar cell. Reactors separated by ion exchange membranes are typically used to prevent any effects of oxygen generated by the counter electrode. However, the present Mn complex catalyst maintained its activity even in the presence of 15 % O2. Operando surface‐enhanced Raman spectroscopy established that the present Mn catalyst preferentially reacted with CO2 without adsorbing O2. This unique characteristic enabled solar‐driven CO2 reduction using a single‐compartment reactor. In contrast, catalytic metals such as Ag tend to lose activity in such systems as a consequence of reaction with oxygen produced at the anode.
Fake news? The impact of information mismatch on mating behaviour
Authors: Rodrigues Leonor R. , Magalhães Sara
Published: July 2024

Multiple cues are often used for mate choice in complex environments, potentially entailing mismatches in the information conveyed by different sources. We address the consequences of this information mismatch for receivers using the spider mite Tetranychus urticae, in which virgin females are highly valuable mates compared to mated females, given first male sperm precedence. Accordingly, males are known to prefer virgins and distinguish them using cues from the females themselves and that they leave on the substrate. Whereas cues from females are highly reliable, those left on the substrate may not reflect the real female mating status if females move and/or mate. Here, we tested the consequences of such mismatch by exposing males to mated or virgin females on patches previously impregnated with cues deposited by females of either mating status. Male mating attempts were solely affected by substrate cues while female acceptance and the number of mating events were independently affected by both cues. Copulation duration, in contrast, depended mainly on the mating status of the female, with the number of copulations and the total time spent mating being intermediate in environments with mismatched information. We also show that males incur mating costs, reflected in reduced survival in environments with virgin cues. These results suggest that substrate cues left by females are instrumental for males to find their mates. However, in environments with mismatched information, males may pay survival costs without the associated benefit of mating with virgins, or they may lose opportunities to mate with virgins by responding to substrate cues from mated females. The benefit of using multiple cues will then hinge upon the frequency of information mismatch, which itself should vary with the dynamics of populations.
Homologous recombination and gene‐specific selection co‐shape the vertical nucleotide diversity of mangrove sediment microbial populations
Authors: Ding Jijuan , Liu Fei , Zeng Jiaxiong , Gu Hang , Zhang Dandan , Yang Xueqin , Wu Bo , Shu Longfei , He Zhili , Wang Cheng
Published: July 2024

Mangrove sediments host a diverse array of microbial populations and are characterized by high heterogeneity along their vertical depths. However, the genetic diversity within these populations is largely unknown, hindering our understanding of their adaptive evolution across the sediment depths. To elucidate their genetic diversity, we utilized metagenome sequencing to identify 16 high‐frequency microbial populations comprised of two archaea and 14 bacteria from mangrove sediment cores (0–100 cm, with 10 depths) in Qi'ao Island, China. Our analysis of the genome‐wide genetic variation revealed extensive nucleotide diversity in the microbial populations. The genes involved in the transport and the energy metabolism displayed a high nucleotide diversity (HND; 0.0045–0.0195; an indicator of shared minor alleles with the microbial populations). By tracking the processes of homologous recombination, we found that each microbial population was subjected to different purification selection levels at different depths (44.12% genes). This selection resulted in significant differences in synonymous/non‐synonymous mutation ratio between 0–20 and 20–100 cm layers, indicating the adaptive evolutionary process of microbial populations. Furthermore, our assessment of differentiation in the allele frequencies between these two layers showed that the functional genes involved in the metabolic processes of amino acids or cofactors were highly differential in more than half of them. Together, we showed that the nucleotide diversity of microbial populations was shaped by homologous recombination and gene‐specific selection, finally resulting in the stratified differentiation occurring between 0–20 and 20–100 cm. These results enhance our cognition of the microbial adaptation mechanisms to vertical environmental changes during the sedimentation process of coastal blue carbon ecosystems.
Safety and efficacy of aficamten in patients with non‐obstructive hypertrophic cardiomyopathy: A 36‐week analysis from FOREST‐HCM
Authors: Masri Ahmad , Barriales‐Villa Roberto , Elliott Perry , Nassif Michael E. , Oreziak Artur , Owens Anjali T. , Tower‐Rader Albree , Heitner Stephen B. , Kupfer Stuart , Malik Fady I. , Melloni Chiara , Meng Lisa , Wei Jenny , Saberi Sara ,   on behalf of the FOREST‐HCM Investigators
Published: July 2024

Aims

The aim of this study was to report safety and efficacy of aficamten in patients with non‐obstructive hypertrophic cardiomyopathy (nHCM) over 36 weeks in the ongoing FOREST‐HCM trial.

Methods and results

Patients were started on aficamten 5 mg daily, with doses adjusted in 5‐mg increments (5–20 mg) at ≥2‐week intervals according to site‐read left ventricular ejection fraction (LVEF). Aficamten dose was increased if LVEF ≥55%, maintained if LVEF 50–54%, decreased if LVEF 40–<50%, and temporarily interrupted if LVEF <40%. Safety and efficacy were assessed over 36 weeks. Overall, 34 patients were enrolled (mean age 57.2 ± 15.3 years, 62% female, 41% in New York Heart Association [NYHA] class III). Over 36 weeks, 82.3% achieved 15–20 mg daily dose and there was a modest reduction in LVEF by −4.3% ± 5.2 from 70% ± 6.1 (p < 0.0001). At Week 36, NYHA class improved by ≥1 class in 27 (79.4%) patients. Mean Kansas City Cardiomyopathy Questionnaire clinical summary score improved by 13.8 ± 12.5 points relative to baseline. Median (interquartile range) levels of N‐terminal pro‐B‐type natriuretic peptide were significantly improved from baseline (−665.5 pg/ml [−1244.0, −232.0]; p < 0.0001), while high‐sensitivity cardiac troponin I was unchanged (−2.7 ng/L [−11.3, 1.6]; p = 0.25). There were no drug discontinuations due to adverse events. LVEF <50% occurred in 2 (5.9%) patients, one following pulmonary vein isolation and one associated with atrial fibrillation.

Conclusions

Over 36 weeks, aficamten appeared safe and effective in the studied patients with nHCM.
Exploring Gas‐Solid Phase Diagrams: Novel Methods for Oxyfluorination of Mn3O4 and Mn2O3 with Molecular Fluorine
Authors: De Windt Sébastien , Auvergniot Jérémie , Cabelguen Pierre‐Etienne , Gschwind Fabienne , Dubois Marc , Guerin Katia
Published: July 2024

Fluorinated, manganese‐redox cation‐disordered rocksalts are promising candidates for high‐performance cobalt‐free Li‐ion cathode active material. A need for reactive fluorinated precursors was however identified. While manganese oxyfluorides are promising precursor candidates, none stable at room temperature was reported prior to 2023. The key to their recent synthesis by reacting molecular fluorine with MnO was a procedure to continuously scan the temperature axis in search of activation temperatures. In line with this philosophy of continuous exploration of the chemical space, two experimental procedures are reported to scan the stoichiometry axis of a gas‐solid phase diagram in search of transitions and intermediate compounds. Their application to F2 ‐ Mn3O4 and F2 ‐ Mn2O3 phase diagrams resulted in the discovery of two new ranges of stable manganese oxyfluorides of respective compositions MnO1.33‐0.13xFx with x<0.5 and MnO1.5‐0.22xFx with x<1.
Studies on supercapacitor electrode performance of novel (AlCuCoFeMnNi)3O4 high entropy spinel oxide admixed with different carbon‐based additives
Authors: Gupta Amit K. , Kumar Ankit , Marndi Mina , Giri Neeraj K. , Shahi Rohit R.
Published: July 2024

The present investigation aims to synthesize a novel (AlCuCoFeMnNi)3O4 type high entropy spinel oxide through the sol‐gel and investigate the effect of different carbon‐based additives on charge storage performance. The formation of the inverse spinel phase of [B(AB)O4] type inverse spinel phase was confirmed through the detailed x‐ray diffraction analysis of the synthesized sample. The synthesized spinel phase was indexed with the space group of Fd−3m and has a lattice parameter of 8.2697 Å. The synthesized high entropy oxide (HEO) phase Ni, Co, and Fe coexists in +2 and +3 states. At the same time, Cu in +2 state, Al in +3 state, and Mn in +3 and +4 states confirmed through x‐ray photoelectron spectroscopy. The electrochemical charge storage performance of synthesized HEO was measured through the three‐electrode setup in 2 M KOH aqueous electrolyte solution in two different potential windows, such as −0.2 to 0.4 V and 0.0 to 0.5 V. Different carbon‐based conducting materials such as acetylene black, reduced graphene oxide (RGO), and carbon particles obtained from 10‐hour ball‐milling of used dry cell carbon electrode (CP). The charge storage mechanism changes from electrochemical double layer capacitance to pseudocapacitive type as the potential window varies from −0.2 to 0.4 to 0 to 0.5 V. The value of specific capacitance for an electrode made of HEO with acetylene black, RGO, and CP was found to be 32.67, 7.50, and 4.58 F/g and 30.68, 16.33, and 9.05 F/g in the potential window of −0.2 to 0.4 V and 0 to 0.5 V at a scan rate of 5 mV/s, respectively. The cyclic performance of the developed three electrodes was measured at a scan rate of 100 mV/s for 1000 cycles, and it was found to be 94%, 98%, and 99% for electrodes made of HEO with acetylene black, RGO, and CP, respectively.
Numerical simulation of endovascular treatment options for cerebral aneurysms
Authors: Frank Martin , Holzberger Fabian , Horvat Medeea , Kirschke Jan , Mayr Matthias , Muhr Markus , Nebulishvili Natalia , Popp Alexander , Schwarting Julian , Wohlmuth Barbara
Published: July 2024

Predicting the long‐term success of endovascular interventions in the clinical management of cerebral aneurysms requires detailed insight into the patient‐specific physiological conditions. In this work, we not only propose numerical representations of endovascular medical devices such as coils, flow diverters or Woven EndoBridge but also outline numerical models for the prediction of blood flow patterns in the aneurysm cavity right after a surgical intervention. Detailed knowledge about the postsurgical state then lays the basis to assess the chances of a stable occlusion of the aneurysm required for a long‐term treatment success. To this end, we propose mathematical and mechanical models of endovascular medical devices made out of thin metal wires. These can then be used for fully resolved flow simulations of the postsurgical blood flow, which in this work will be performed by means of a Lattice Boltzmann method applied to the incompressible Navier–Stokes equations and patient‐specific geometries. To probe the suitability of homogenized models, we also investigate poro‐elastic models to represent such medical devices. In particular, we examine the validity of this modeling approach for flow diverter placement across the opening of the aneurysm cavity. For both approaches, physiologically meaningful boundary conditions are provided from reduced‐order models of the vascular system. The present study demonstrates our capabilities to predict the postsurgical state and lays a solid foundation to tackle the prediction of thrombus formation and, thus, the aneurysm occlusion in a next step.
Modeling of fluid‐rigid body interaction in an electrically conducting fluid
Authors: Scherz Jan , Schlömerkemper Anja
Published: July 2024

We derive a mathematical model for the motion of several insulating rigid bodies through an electrically conducting fluid. Starting from a universal model describing this phenomenon in generality, we elaborate (simplifying) physical assumptions under which a mathematical analysis of the model becomes feasible. Our main focus lies on the derivation of the boundary and interface conditions for the electromagnetic fields as well as the derivation of the magnetohydrodynamic approximation carried out via a nondimensionalization of the system.
The impact of urbanisation on green total factor productivity: Exploring threshold and mediating effects of human capital
Authors: Wang Guimei , Salman Muhammad , Zhang Kuangwei
Published: July 2024

Green development is main direction of high‐quality economic development in China. Urbanisation and human capital (HC) are important factors affecting green development. This study examines effects of urbanisation and HC on green total factor productivity (GTFP) using least squares dummy variable model, based on provincial data in China from 2001 to 2019. This study then explored impact of urbanisation on GTFP through HC (educated HC, healthy HC, and HC structure), adopting mediating effect and threshold effect model. The results showed that urbanisation and three types of HC promote GTFP in China and coastal region. In inland region, urbanisation has insignificant impact on GTFP, while educated HC and HC structure improve it. The mediating analysis revealed that educated and healthy HC in China and coastal region enhance promotion effect of urbanisation on GTFP, whereas HC structure hinders it. In inland region, only healthy HC stimulates promotion effect of urbanisation on GTFP. Considering threshold effect of educated and healthy HC, promotion effect of urbanisation on GTFP is weaker than threshold value; but effect is stronger above threshold value. The promotion effect of urbanisation on GTFP is stronger when value of HC structure is below the threshold, while effect is weakened as value exceeds threshold value. Policy implications are documented to promote urbanisation in a differentiated manner, increase investment in HC, and strengthen coordination between urbanisation and HC.
Facile synthesis of Pt clusters decorated TiO2 nanoparticles for efficient photocatalytic degradation of antibiotics
Authors: Pan Yin , Liang Weizhen , Wang Zongpeng , Gong Junjie , Wang Yichao , Xu Aijiao , Teng Zhenyuan , Shen Shijie , Gu Lin , Zhong Wenwu , Lu Hongsheng , Chen Baofu
Published: July 2024

TiO2 has attracted much attention in the field of photocatalytic degradation of antibiotics due to its good photostability, nontoxicity, and low cost. However, the rapid recombination of photogenerated carriers limits the further improvement of its photocatalytic activity. Here, a facile microwave‐assisted hydrothermal method has been developed to prepare Pt clusters decorated TiO2 nanoparticles. Pt clusters ranging in size from 1 to 2 nm are uniformly distributed across the surface of the TiO2 matrix. A pronounced charge transfer phenomenon is discernible between the Pt and TiO2 components. It is revealed that the charge transfer enables faster transfer and separation of photogenerated electrons and holes, which are beneficial for the improvement of photocatalytic degradation of both ofloxacin and levofloxacin. The degradation capability can be attributed to the efficient generation of •OH or •O2− species within the solution. The parallel adsorption model of TiO2 on antibiotic molecules is verified, and the degradation reaction pathway has been elucidated. This work provides a facile method for optimizing the performance of TiO2 photocatalysts, which can be extended to other oxide photocatalysts.
Silencing of FTO inhibits oxidative stress to relieve neuropathic pain by m6A modification of GPR177
Authors: Liu Li , Liu Mei , Song Zhiping , Zhang Huaigen
Published: July 2024

Background

Neuropathic pain (NP) is a challenging health condition owing to its complex nature and associated multiple etiologies. The occurrence of NP involves the abnormal activity of neurons mediated by oxidative stress (OS). Previous research has demonstrated that m6A methylation plays a role in the regulatory pathway of NP. This study aimed to investigate the specific molecular pathways through which m6A methylation modifiers alleviate NP.

Methods

For this purpose, an NO rat model was developed via spared nerve injury (SNI), followed by quantifying the animal's pain assessment via paw withdrawal threshold (PWT) and paw withdrawal latency (PWL). The OS in SNI rats was evaluated by measuring reactive oxygen species, superoxide dismutase, and catalase (CAT) in spinal cord tissues. Moreover, quantitative‐real‐time polymerase chain reaction and western blot analysis were employed for detecting fat mass and obesity‐associated (FTO) and GPR177 levels, while m6A levels of GPR117 were analyzed via MeRIP.

Results

The results indicated an enhanced OS with highly expressed FTO in spinal cord tissue samples, where knocking down Fto effectively relieved NP and OS in SNI rats. Mechanistic investigations revealed that Fto‐mediated reduction of Grp177 m6A modification was involved in the WNT5a/TRPV1 axis‐mediated OS remission of NP. Moreover, in vitro experiment results indicated that YTHDF2 was an important m6A methylated reading protein for this process.

Conclusions

Fto silencing leads to increased m6A methylation of Grp177 through a YTHDF2‐dependent mechanism, resulting in decreased Grp177 stability and ultimately reducing NP in rats by OS suppression.
Preconception underweight and the risk of offspring congenital heart diseases in young pregnant women: Evidence from the China Birth Cohort Study
Authors: Yan Ruohua , Liu Xiaohang , Peng Yaguang , Peng Xiaoxia
Published: July 2024

Objective

Maternal obesity is a highly suggestive risk factor of offspring congenital heart diseases (CHD). However, the risk of offspring CHD associated with maternal underweight has rarely been mentioned. Therefore, this study aimed to explore the effect of preconception underweight on offspring CHD.

Methods

From November 2017 to August 2021, 132 386 pregnant women were enrolled in a birth cohort study in China in early pregnancy, and completed follow‐up until delivery (or miscarriage/termination). Offspring CHD was diagnosed by prenatal ultrasound examination in both live births and stillbirths. Log‐binomial regression and restricted cubic spline were used to estimate the risk of offspring CHD associated with preconception body mass index (BMI). A generalized additive model was used to explore the modification effect of maternal age on the association between preconception BMI and offspring CHD.

Results

A total of 129 096 pregnant women were included in the analysis. The incidence of CHD in the underweight, normal weight, overweight, and obesity groups were 117/17 313 (0.68%), 556/85 695 (0.65%), 128/19 936 (0.64%), 47/6152 (0.76%), respectively. Both underweight and obesity before pregnancy marginally increased the risk of offspring CHD. The association between preconception BMI and offspring CHD varied by maternal age, with low preconception BMI associated with a significantly higher risk of offspring CHD in women <24 years (RR 2.32, 95% CI: 1.07–5.01 for 17 vs 21 kg/m2).

Conclusion

Preconception underweight was associated with an increased risk of offspring CHD in young pregnant women. Therefore, weight gain is important to prevent offspring CHD, especially for young women with low preconception BMI.
Screening of Chagas disease in pregnant women—Recommendation by the Italian National Institute of Health, 2023
Authors: Ornaghi Sara , Corsi Decenti Edoardo , Zammarchi Lorenzo , Bartoloni Alessandro , Angheben Andrea , Nava Chiara , Tommasella Margherita , Carletti Valerio , Colciago Elisabetta , Dell'Oro Stefania , Farsetti Daniele , Finale Enrico , Fumagalli Simona , Giovinale Silvia , Iannuzzi Laura , Maellaro Filomena , Maggiora Elena , Pometti Francesca , Sampaolo Letizia , Basevi Vittorio , Donati Serena
Published: July 2024

Synopsis

All pregnant women at risk should be screened for Chagas disease, as recommended by the Italian National Institute of Health.
Unfaithful brands: How brand attachment can lead to negative responses to influencer marketing campaigns
Authors: Bentley Kara , Rajagopal Priyali , Kulow Katina
Published: July 2024

The use of influencer marketing campaigns has increased exponentially in recent years as brands have embraced such campaigns in order to capitalize on the relationships that social media influencers (SMIs) have built with their followers as a means of increasing brand awareness and sales. Although influencer marketing is extensively utilized in practice, much is still unknown about the effects of these campaigns, including potential downsides and audience‐level variables that could moderate their success. In the current research, we find that partnering with SMIs is perceived as a norm violation for consumers with a high brand attachment, negatively impacting consumption intentions. Across five studies, we show that social media posts originating from an SMI, as opposed to the brand, lead to lower purchase intentions and willingness to pay for consumers with a high brand attachment. Additionally, we consider several moderators to this effect, including the salience of the sponsorship and consumers' attachment to the SMI. We also provide process evidence by documenting that perceptions of a norm violation mediate these effects.