bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanistic study on the side arm effect in a palladium/Xu-Phos-catalyzed enantioselective alkoxyalkenylation of γ-hydroxyalkenes
Authors: Zhu Shuai , Ye Zihao , Chen Ming-Jie , Wang Lei , Wang Yu-Zhuo , Zhang Ke-Nan , Li Wen-Bo , Ding Han-Ming , Li Zhiming , Zhang Junliang 
Published: November 2023

AbstractRecently, the asymmetric bifunctionalization of alkenes has received much attention. However, the development of enantioselective alkoxyalkenylation has posed a considerable challenge and has lagged largely behind. Herein, we report a new palladium-catalyzed enantioselective alkoxyalkenylation reaction, using a range of primary, secondary, and tertiary γ-hydroxy-alkenes with alkenyl halides. By employing newly identified Xu-Phos (Xu8 and Xu9) with a suitable side-arm adjacent to the PCy2 motif, a series of allyl-substituted tetrahydrofurans were obtained in good yields with up to 95% ee. Besides (E)-alkenyl halides, (Z)-alkenyl halide was also examined and provided the corresponding (Z)-product as a single diastereomer, supporting a stereospecific oxidative addition and reductive elimination step. Moreover, deuterium labeling and VCD experiments were employed to determine a cis-oxypalladation mechanism. DFT calculations helped us gain deeper insight into the side-arm effect on the chiral ligand. Finally, the practicability of this method is further demonstrated through a gram-scale synthesis and versatile transformations of the products.
Anhydrous interfacial polymerization of sub-1 Å sieving polyamide membrane
Authors: Zhao Guangjin , Gao Haiqi , Qu Zhou , Fan Hongwei , Meng Hong 
Published: November 2023

AbstractHighly permeable polyamide (PA) membrane capable of precise ionic sieving can be utilized for many energy-efficient chemical separations. To fulfill this target, it is crucial to innovate membrane-forming process to induce a narrow pore-size distribution. Herein, we report an anhydrous interfacial polymerization (AIP) at a solid-liquid interface where the amine layer sublimated is in direct contact with the alkane containing acyl chlorides. In such a heterophase interface, water-caused side reactions are eliminated, and the amines in compact arrangement enable an intensive and orderly IP reaction, leading to a unique PA layer with an ionic sieving accuracy of 0.5 Å. The AIP-PA membrane demonstrates excellent separation selectivities of monovalent and divalent cations such as Mg2+/Li+ (78.3) and anions such as Cl-/SO42- (29.2) together with a high water flux up to 13.6 L m−2 h−1 bar−1. Our AIP strategy may provide inspirations for engineering high-precision PA membranes available in various advanced separations.
Mirabegron displays anticancer effects by globally browning adipose tissues
Authors: Sun Xiaoting , Sui Wenhai , Mu Zepeng , Xie Sisi , Deng Jinxiu , Li Sen , Seki Takahiro , Wu Jieyu , Jing Xu , He Xingkang , Wang Yangang , Li Xiaokun , Yang Yunlong , Huang Ping , Ge Minghua , Cao Yihai 
Published: November 2023

AbstractMetabolic reprogramming in malignant cells is a hallmark of cancer that relies on augmented glycolytic metabolism to support their growth, invasion, and metastasis. However, the impact of global adipose metabolism on tumor growth and the drug development by targeting adipose metabolism remain largely unexplored. Here we show that a therapeutic paradigm of drugs is effective for treating various cancer types by browning adipose tissues. Mirabegron, a clinically available drug for overactive bladders, displays potent anticancer effects in various animal cancer models, including untreatable cancers such as pancreatic ductal adenocarcinoma and hepatocellular carcinoma, via the browning of adipose tissues. Genetic deletion of the uncoupling protein 1, a key thermogenic protein in adipose tissues, ablates the anticancer effect. Similarly, the removal of brown adipose tissue, which is responsible for non-shivering thermogenesis, attenuates the anticancer activity of mirabegron. These findings demonstrate that mirabegron represents a paradigm of anticancer drugs with a distinct mechanism for the effective treatment of multiple cancers.
Genomic profiling of subcutaneous patient-derived xenografts reveals immune constraints on tumor evolution in childhood solid cancer
Authors: He Funan , Bandyopadhyay Abhik M. , Klesse Laura J. , Rogojina Anna , Chun Sang H. , Butler Erin , Hartshorne Taylor , Holland Trevor , Garcia Dawn , Weldon Korri , Prado Luz-Nereida Perez , Langevin Anne-Marie , Grimes Allison C. , Sugalski Aaron , Shah Shafqat , Assanasen Chatchawin , Lai Zhao , Zou Yi , Kurmashev Dias , Xu Lin , Xie Yang , Chen Yidong , Wang Xiaojing , Tomlinson Gail E. , Skapek Stephen X. , Houghton Peter J. , Kurmasheva Raushan T. , Zheng Siyuan 
Published: November 2023

AbstractSubcutaneous patient-derived xenografts (PDXs) are an important tool for childhood cancer research. Here, we describe a resource of 68 early passage PDXs established from 65 pediatric solid tumor patients. Through genomic profiling of paired PDXs and patient tumors (PTs), we observe low mutational similarity in about 30% of the PT/PDX pairs. Clonal analysis in these pairs show an aggressive PT minor subclone seeds the major clone in the PDX. We show evidence that this subclone is more immunogenic and is likely suppressed by immune responses in the PT. These results suggest interplay between intratumoral heterogeneity and antitumor immunity may underlie the genetic disparity between PTs and PDXs. We further show that PDXs generally recapitulate PTs in copy number and transcriptomic profiles. Finally, we report a gene fusion LRPAP1-PDGFRA. In summary, we report a childhood cancer PDX resource and our study highlights the role of immune constraints on tumor evolution.
A scalable membrane electrode assembly architecture for efficient electrochemical conversion of CO2 to formic acid
Authors: Hu Leiming , Wrubel Jacob A. , Baez-Cotto Carlos M. , Intia Fry , Park Jae Hyung , Kropf Arthur Jeremy , Kariuki Nancy , Huang Zhe , Farghaly Ahmed , Amichi Lynda , Saha Prantik , Tao Ling , Cullen David A. , Myers Deborah J. , Ferrandon Magali S. , Neyerlin K. C. 
Published: November 2023

AbstractThe electrochemical reduction of carbon dioxide to formic acid is a promising pathway to improve CO2 utilization and has potential applications as a hydrogen storage medium. In this work, a zero-gap membrane electrode assembly architecture is developed for the direct electrochemical synthesis of formic acid from carbon dioxide. The key technological advancement is a perforated cation exchange membrane, which, when utilized in a forward bias bipolar membrane configuration, allows formic acid generated at the membrane interface to exit through the anode flow field at concentrations up to 0.25 M. Having no additional interlayer components between the anode and cathode this concept is positioned to leverage currently available materials and stack designs ubiquitous in fuel cell and H2 electrolysis, enabling a more rapid transition to scale and commercialization. The perforated cation exchange membrane configuration can achieve >75% Faradaic efficiency to formic acid at <2 V and 300 mA/cm2 in a 25 cm2 cell. More critically, a 55-hour stability test at 200 mA/cm2 shows stable Faradaic efficiency and cell voltage. Technoeconomic analysis is utilized to illustrate a path towards achieving cost parity with current formic acid production methods.
Middle east warming in spring enhances summer rainfall over Pakistan
Authors: Li Baosheng , Zhou Lei , Qin Jianhuang , Zhou Tianjun , Chen Dake , Hou Shugui , Murtugudde Raghu 
Published: November 2023

AbstractThe edge of a monsoon region is usually highly sensitive to climate change. Pakistan, which is located on the northern edge of the Indian monsoon, is highly vulnerable to heavy rainfall and has witnessed several debilitating floods exacerbated by global warming in recent years. However, the mechanisms for the frequent Pakistan floods are yet not fully understood. Here, we show that the Middle East is undergoing an increase in land heating during spring, which is responsible for 46% of the intensified rainfall over Pakistan and northwestern India during 1979–2022. This springtime land warming causes a decline in sea level pressure (SLP), which strengthens the meridional SLP gradient between the Middle East and the southern Arabian Sea and drives the changes of low-level jet (LLJ) subsequently. The impact persists into summer and results in a northward shift of the monsoonal LLJ, accompanied by strong positive vorticity in the atmosphere and enhanced moisture supply to Pakistan. Consequently, the transition region between the summer monsoon in South Asia and the desert climate in West Asia is shifted northwestward, posing significantly enhanced risk of floods over Pakistan and northwestern India.
A dual role of RBM42 in modulating splicing and translation of CDKN1A/p21 during DNA damage response
Authors: Ben-Oz Bella M. , Machour Feras E. , Nicola Marian , Argoetti Amir , Polyak Galia , Hanna Rawad , Kleifeld Oded , Mandel-Gutfreund Yael , Ayoub Nabieh 
Published: November 2023

Abstractp53-mediated cell cycle arrest during DNA damage is dependent on the induction of p21 protein, encoded by the CDKN1A gene. p21 inhibits cyclin-dependent kinases required for cell cycle progression to guarantee accurate repair of DNA lesions. Hence, fine-tuning of p21 levels is crucial to preserve genomic stability. Currently, the multilayered regulation of p21 levels during DNA damage is not fully understood. Herein, we identify the human RNA binding motif protein 42 (RBM42) as a regulator of p21 levels during DNA damage. Genome-wide transcriptome and interactome analysis reveals that RBM42 alters the expression of p53-regulated genes during DNA damage. Specifically, we demonstrate that RBM42 facilitates CDKN1A splicing by counteracting the splicing inhibitory effect of RBM4 protein. Unexpectedly, we also show that RBM42, underpins translation of various splicing targets, including CDKN1A. Concordantly, transcriptome-wide mapping of RBM42-RNA interactions using eCLIP further substantiates the dual function of RBM42 in regulating splicing and translation of its target genes, including CDKN1A. Collectively, our data show that RBM42 couples splicing and translation machineries to fine-tune gene expression during DNA damage response.
Single-cell epigenomics and spatiotemporal transcriptomics reveal human cerebellar development
Authors: Zhong Suijuan , Wang Mengdi , Huang Luwei , Chen Youqiao , Ge Yuxin , Zhang Jiyao , Shi Yingchao , Dong Hao , Zhou Xin , Wang Bosong , Lu Tian , Jing Xiaoxi , Lu Yufeng , Zhang Junjing , Wang Xiaoqun , Wu Qian 
Published: November 2023

AbstractHuman cerebellar development is orchestrated by molecular regulatory networks to achieve cytoarchitecture and coordinate motor and cognitive functions. Here, we combined single-cell transcriptomics, spatial transcriptomics and single cell chromatin accessibility states to systematically depict an integrative spatiotemporal landscape of human fetal cerebellar development. We revealed that combinations of transcription factors and cis-regulatory elements (CREs) play roles in governing progenitor differentiation and cell fate determination along trajectories in a hierarchical manner, providing a gene expression regulatory map of cell fate and spatial information for these cells. We also illustrated that granule cells located in different regions of the cerebellar cortex showed distinct molecular signatures regulated by different signals during development. Finally, we mapped single-nucleotide polymorphisms (SNPs) of disorders related to cerebellar dysfunction and discovered that several disorder-associated genes showed spatiotemporal and cell type-specific expression patterns only in humans, indicating the cellular basis and possible mechanisms of the pathogenesis of neuropsychiatric disorders.
Adaptive quantum error mitigation using pulse-based inverse evolutions
Authors: Henao Ivan , Santos Jader P. , Uzdin Raam 
Published: November 2023

AbstractQuantum Error Mitigation (QEM) enables the extraction of high-quality results from the presently-available noisy quantum computers. In this approach, the effect of the noise on observables of interest can be mitigated using multiple measurements without additional hardware overhead. Unfortunately, current QEM techniques are limited to weak noise or lack scalability. In this work, we introduce a QEM method termed ‘Adaptive KIK’ that adapts to the noise level of the target device, and therefore, can handle moderate-to-strong noise. The implementation of the method is experimentally simple — it does not involve any tomographic information or machine-learning stage, and the number of different quantum circuits to be implemented is independent of the size of the system. Furthermore, we have shown that it can be successfully integrated with randomized compiling for handling both incoherent as well as coherent noise. Our method handles spatially correlated and time-dependent noise which enables us to run shots over the scale of days or more despite the fact that noise and calibrations change in time. Finally, we discuss and demonstrate why our results suggest that gate calibration protocols should be revised when using QEM. We demonstrate our findings in the IBM quantum computers and through numerical simulations.
Structural basis of Gabija anti-phage defence and viral immune evasion
Authors: Antine Sadie P. , Johnson Alex G. , Mooney Sarah E. , Leavitt Azita , Mayer Megan L. , Yirmiya Erez , Amitai Gil , Sorek Rotem , Kranzusch Philip J. 
Published: November 2023

AbstractBacteria encode hundreds of diverse defence systems that protect them from viral infection and inhibit phage propagation1–5. Gabija is one of the most prevalent anti-phage defence systems, occurring in more than 15% of all sequenced bacterial and archaeal genomes1,6,7, but the molecular basis of how Gabija defends cells from viral infection remains poorly understood. Here we use X-ray crystallography and cryo-electron microscopy (cryo-EM) to define how Gabija proteins assemble into a supramolecular complex of around 500 kDa that degrades phage DNA. Gabija protein A (GajA) is a DNA endonuclease that tetramerizes to form the core of the anti-phage defence complex. Two sets of Gabija protein B (GajB) dimers dock at opposite sides of the complex and create a 4:4 GajA–GajB assembly (hereafter, GajAB) that is essential for phage resistance in vivo. We show that a phage-encoded protein, Gabija anti-defence 1 (Gad1), directly binds to the Gabija GajAB complex and inactivates defence. A cryo-EM structure of the virally inhibited state shows that Gad1 forms an octameric web that encases the GajAB complex and inhibits DNA recognition and cleavage. Our results reveal the structural basis of assembly of the Gabija anti-phage defence complex and define a unique mechanism of viral immune evasion.
A manually annotated corpus in French for the study of urbanization and the natural risk prevention
Authors: Koptelov Maksim , Holveck Margaux , Cremilleux Bruno , Reynaud Justine , Roche Mathieu , Teisseire Maguelonne 
Published: November 2023

AbstractLand artificialization is a serious problem of civilization. Urban planning and natural risk management are aimed to improve it. In France, these practices operate the Local Land Plans (PLU – Plan Local d’Urbanisme) and the Natural risk prevention plans (PPRn – Plan de Prévention des Risques naturels) containing land use rules. To facilitate automatic extraction of the rules, we manually annotated a number of those documents concerning Montpellier, a rapidly evolving agglomeration exposed to natural risks. We defined a format for labeled examples in which each entry includes title and subtitle. In addition, we proposed a hierarchical representation of class labels to generalize the use of our corpus. Our corpus, consisting of 1934 textual segments, each of which labeled by one of the 4 classes (Verifiable, Non-verifiable, Informative and Not pertinent) is the first corpus in the French language in the fields of urban planning and natural risk management. Along with presenting the corpus, we tested a state-of-the-art approach for text classification to demonstrate its usability for automatic rule extraction.
X3DFast model for classifying dairy cow behaviors based on a two-pathway architecture
Authors: Bai Qiang , Gao Ronghua , Wang Rong , Li Qifeng , Yu Qinyang , Zhao Chunjiang , Li Shuqin 
Published: November 2023

AbstractBehavior is one of the important factors reflecting the health status of dairy cows, and when dairy cows encounter health problems, they exhibit different behavioral characteristics. Therefore, identifying dairy cow behavior not only helps in assessing their physiological health and disease treatment but also improves cow welfare, which is very important for the development of animal husbandry. The method of relying on human eyes to observe the behavior of dairy cows has problems such as high labor costs, high labor intensity, and high fatigue rates. Therefore, it is necessary to explore more effective technical means to identify cow behaviors more quickly and accurately and improve the intelligence level of dairy cow farming. Automatic recognition of dairy cow behavior has become a key technology for diagnosing dairy cow diseases, improving farm economic benefits and reducing animal elimination rates. Recently, deep learning for automated dairy cow behavior identification has become a research focus. However, in complex farming environments, dairy cow behaviors are characterized by multiscale features due to large scenes and long data collection distances. Traditional behavior recognition models cannot accurately recognize similar behavior features of dairy cows, such as those with similar visual characteristics, i.e., standing and walking. The behavior recognition method based on 3D convolution solves the problem of small visual feature differences in behavior recognition. However, due to the large number of model parameters, long inference time, and simple data background, it cannot meet the demand for real-time recognition of dairy cow behaviors in complex breeding environments. To address this, we developed an effective yet lightweight model for fast and accurate dairy cow behavior feature learning from video data. We focused on four common behaviors: standing, walking, lying, and mounting. We recorded videos of dairy cow behaviors at a dairy farm containing over one hundred cows using surveillance cameras. A robust model was built using a complex background dataset. We proposed a two-pathway X3DFast model based on spatiotemporal behavior features. The X3D and fast pathways were laterally connected to integrate spatial and temporal features. The X3D pathway extracted spatial features. The fast pathway with R(2 + 1)D convolution decomposed spatiotemporal features and transferred effective spatial features to the X3D pathway. An action model further enhanced X3D spatial modeling. Experiments showed that X3DFast achieved 98.49% top-1 accuracy, outperforming similar methods in identifying the four behaviors. The method we proposed can effectively identify similar dairy cow behaviors while improving inference speed, providing technical support for subsequent dairy cow behavior recognition and daily behavior statistics.
Morphologically-Directed Raman Spectroscopy as an Analytical Method for Subvisible Particle Characterization in Therapeutic Protein Product Quality
Authors: Kim Minkyung , Ma Youlong , Srinivasan Charudharshini , O’Connor Thomas , Telikepalli Srivalli N. , Ripple Dean C. , Lute Scott , Bhirde Ashwinkumar 
Published: November 2023

AbstractSubvisible particles (SVPs) are a critical quality attribute of injectable therapeutic proteins (TPs) that needs to be controlled due to potential risks associated with drug product quality. The current compendial methods routinely used to analyze SVPs for lot release provide information on particle size and count. However, chemical identification of individual particles is also important to address root-cause analysis. Herein, we introduce Morphologically-Directed Raman Spectroscopy (MDRS) for SVP characterization of TPs. The following particles were used for method development: (1) polystyrene microspheres, a traditional standard used in industry; (2) photolithographic (SU-8); and (3) ethylene tetrafluoroethylene (ETFE) particles, candidate reference materials developed by NIST. In our study, MDRS rendered high-resolution images for the ETFE particles (> 90%) ranging from 19 to 100 μm in size, covering most of SVP range, and generated comparable morphology data to flow imaging microscopy. Our method was applied to characterize particles formed in stressed TPs and was able to chemically identify individual particles using Raman spectroscopy. MDRS was able to compare morphology and transparency properties of proteinaceous particles with reference materials. The data suggests MDRS may complement the current TPs SVP analysis system and product quality characterization workflow throughout development and commercial lifecycle.
Quantum teleportation and dynamics of quantum coherence and metrological non-classical correlations for open two-qubit systems
Authors: Dakir Yassine , Slaoui Abdallah , Mohamed Abdel-Baset A. , Laamara Rachid Ahl , Eleuch Hichem 
Published: November 2023

AbstractWe investigate the dynamics of non-classical correlations and quantum coherence in open quantum systems by employing metrics like local quantum Fisher information, local quantum uncertainty, and quantum Jensen-Shannon divergence. Our focus here is on a system of two qubits in two distinct physical situations: the first one when the two qubits are coupled to a cavity field whether the system is closed or open, while the second consists of two qubits immersed in dephasing reservoirs. Our study places significant emphasis on how the evolution of these quantum criterion is influenced by the initial state’s purity (whether pure or mixed) and the nature of the environment (whether Markovian or non-Markovian). We observe that a decrease in the initial state’s purity corresponds to a reduction in both quantum correlations and quantum coherence, whereas higher purity enhances these quantumness. Furthermore, we establish a quantum teleportation strategy based on the two different physical scenarios. In this approach, the resulting state of the two qubits functions as a quantum channel integrated into a quantum teleportation protocol. We also analyze how the purity of the initial state and the Markovian or non-Markovian regimes impact the quantum teleportation process.