bluuebunny/crossref_metadata_2025_split huggingface dataset:
Whole‐Cell P450 Biocatalysis Using Engineered Escherichia coli with Fine‐Tuned Heme Biosynthesis
Authors: Hu Baodong , Yu Haibo , Zhou Jingwen , Li Jianghua , Chen Jian , Du Guocheng , Lee Sang Yup , Zhao Xinrui 
Published: December 2022

AbstractBy exploiting versatile P450 enzymes, whole‐cell biocatalysis can be performed to synthesize valuable compounds in Escherichia coli. However, the insufficient supply of heme limits the whole‐cell P450 biocatalytic activity. Here a strategy for improving intracellular heme biosynthesis to enhance the catalytic efficiencies of P450s is reported. After comparing the effects of improving heme transport and biosynthesis on P450 activities, intracellular heme biosynthesis is optimized through the integrated expression of necessary synthetic genes at proper ratios and the assembly of rate‐limiting enzymes using DNA‐guided scaffolds. The intracellular heme level is fine‐tuned by the combined use of mutated heme‐sensitive biosensors and small regulatory RNA systems. The catalytic efficiencies of three different P450s, BM3, sca‐2, and CYP105D7, are enhanced through fine‐tuning heme biosynthesis for the synthesis of hydroquinone, pravastatin, and 7,3′,4′‐trihydroxyisoflavone as example products of chemical intermediate, drug, and natural product, respectively. This strategy of fine‐tuned heme biosynthesis will be generally useful for developing whole‐cell biocatalysts involving hemoproteins.
Ni‐Ion‐Chelating Strategy for Mitigating the Deterioration of Li‐Ion Batteries with Nickel‐Rich Cathodes
Authors: Park Seon Yeong , Park Sewon , Lim Hyeong Yong , Yoon Moonsu , Choi Jeong‐Hee , Kwak Sang Kyu , Hong Sung You , Choi Nam‐Soon 
Published: December 2022

AbstractNi‐rich cathodes are the most promising candidates for realizing high‐energy‐density Li‐ion batteries. However, the high‐valence Ni4+ ions formed in highly delithiated states are prone to reduction to lower valence states, such as Ni3+ and Ni2+, which may cause lattice oxygen loss, cation mixing, and Ni ion dissolution. Further, LiPF6, a key salt in commercialized electrolytes, undergoes hydrolysis to produce acidic compounds, which accelerate Ni‐ion dissolution and the interfacial deterioration of the Ni‐rich cathode. Dissolved Ni ions migrate and deposit on the surface of the graphite anode, causing continuous electrolyte decomposition and threatening battery safety by forming Li dendrites on the anode. Herein, 1,2‐bis(diphenylphosphino)ethane (DPPE) chelates Ni ions dissolved from the Ni‐rich cathode using bidentate phosphine moieties and alleviates LiPF6 hydrolysis via complexation with PF5. Further, DPPE reduces the generation of corrosive HF and HPO2F2 substantially compared to the amounts observed using trimethyl phosphite and tris(trimethylsilyl) phosphite, which are HF‐scavenging additives. Li‐ion cells with Ni‐rich cathodes and graphite anodes containing DPPE exhibit remarkable discharge capacity retentions of 83.4%, with high Coulombic efficiencies of >99.99% after 300 cycles at 45 °C. The results of this study will promote the development of electrolyte additives.
An Attention Mechanism‐Based Adaptive Feedback Computing Component by Neuromorphic Ion Gated MoS2 Transistors
Authors: Liu Chang , Wang Yanghao , Zhang Teng , Yuan Rui , Yang Yuchao 
Published: December 2022

AbstractNeuromorphic computing is expected to bridge cognitive behaviors with computing systems in an efficient, expandable, and biologically inspired way. A pivotal cognitive behavior is the attention mechanism, which is highly important in filtering and regulating spatio‐temporal information. Emerging neuromorphic devices hold prospect in utilizing their internal physical mechanisms for dynamic computing resources. Here, a basic top–down attention computing component consisting of a synaptic transistor and a neuron is proposed, where efficient information processing is realized by combining the inherent device dynamics and the feedback loop. A theoretical model is established in simulation to demonstrate the capabilities of such a computing system in information filtering and control. Notably, new dynamic circuit behaviors, such as conductance oscillation and activate function switching, are discovered from appropriate time parameters. The attention computing component contains rich dynamic behaviors, providing a power and area‐saving method to construct high‐complexity neuromorphic systems for spatio‐temporal signal preprocessing and control.
Lithium‐Rich Li2TiS3 Cathode Enables High‐Energy Sulfide All‐Solid‐State Lithium Batteries
Authors: Hu Yaqi , Sun Zhen , Zhang Zongliang , Liu Siliang , He Fangbo , Liu Yang , Zhuang Zhi , Liu Fangyang 
Published: December 2022

AbstractOutstanding interfacial issues exist between oxide cathodes and sulfide electrolytes in all‐solid‐state lithium batteries (ASSLBs), while high‐capacity Li‐rich sulfide cathodes are gaining attention for application. Herein, a sulfide cathode active material Li2TiS3 (LTS) that is chemically compatible with sulfide solid electrolytes, is used in high‐performance Li6PS5Cl‐based ASSLBs at room temperature. The batteries demonstrate a maximum discharge capacity of 423.2 mAh g−1 (910 Wh kg−1 based on Li2TiS3) with 95% capacity retention after 100 cycles at 0.1 C (0.33 mA cm−2). Traces of elemental sulfur on the surface of LTS are mainly responsible for the excessive Li‐intercalation and the capacity exceedance. The Li6PS5Cl is also found to offer a nonnegligible capacity (at least 27% of excess capacity) by comparing the Li6PS5Cl‐based and Li3YCl6‐based cells using Li2TiS3 as cathode active material. During long cycling, the amorphization and degradation of Li2TiS3 and Li6PS5Cl cause capacity decay. The electrochemical kinetics of Li6PS5Cl‐based cells are evaluated as a reference to further exploit the potential of Li2TiS3 material for practical applications in ASSLBs. Overall, this superior Li‐rich sulfide material is an attractive alternative to oxide cathodes for the development of high‐performance ASSLBs.
Understanding the Role of Cesium on Chemical Complexity in Methylammonium‐Free Metal Halide Perovskites
Authors: Yang Jonghee , LaFollette Diana K. , Lawrie Benjamin J. , Ievlev Anton V. , Liu Yongtao , Kelley Kyle P. , Kalinin Sergei V. , Correa‐Baena Juan‐Pablo , Ahmadi Mahshid 
Published: December 2022

AbstractMixed cesium‐ and formamidinium‐based metal halide perovskites (MHPs) are emerging as ideal photovoltaic materials due to their promising performance and improved stability. While theoretical predictions suggest that a larger composition ratio of Cs (≈30%) aids the formation of a pure photoactive α‐phase, high photovoltaic performances can only be realized in MHPs with moderate Cs ratios. In fact, elemental mixing in a solution can result in chemical complexities with non‐equilibrium phases, causing chemical inhomogeneities localized in the MHPs that are not traceable with global device‐level measurements. Thus, the chemical origin of the complexities and understanding of their effect on stability and functionality remain elusive. Herein, through spatially resolved analyses, the fate of local chemical structures, particularly the evolution pathway of non‐equilibrium phases and the resulting local inhomogeneities in MHPs is comprehensively explored. It is shown that Cs‐rich MHPs have substantial local inhomogeneities at the initial crystallization step, which do not fully convert to the α‐phase and thereby compromise the optoelectronic performance of the materials. These fundamental observations allow the authors to draw a complete chemical landscape of MHPs including nanoscale chemical mechanisms, providing indispensable insights into the realization of a functional materials platform.
Model‐free real‐time optimization of process systems using safe Bayesian optimization
Authors: Krishnamoorthy Dinesh , Doyle Francis J. 
Published: December 2022

AbstractConventional real‐time optimization (RTO) requires detailed process models, which may be challenging or expensive to obtain. Model‐free RTO methods are an attractive alternative to circumvent the challenge of developing accurate models. Most model‐free RTO methods are based on estimating the steady‐state cost gradient with respect to the decision variables and driving the estimated gradient to zero using integral action. However, accurate gradient estimation requires clear time scale separation from the plant dynamics, such that the dynamic plant can be assumed to be a static map. For processes with long settling times, this can lead to prohibitively slow convergence to the optimum. To avoid the need to estimate the cost gradients from the measurement, this article uses Bayesian optimization, which is a zeroth order black‐box optimization framework. In particular, this article uses a safe Bayesian optimization based on interior point methods to ensure that the setpoints computed by the model‐free steady‐state RTO layer are guaranteed to be feasible with high probability (i.e., the safety‐critical constraints will not be violated at steady‐state). The proposed method can thus be seen as a model‐free variant of the conventional two‐step steady‐state RTO framework (with steady‐state detection), which is demonstrated on a benchmark Williams‐Otto reactor example.
Quantum Thermalization and Thermal Entanglement in the Open Quantum Rabi Model
Authors: Liu Wang‐Yan , Fan Li‐Bao , Zeng Ye‐Xiong , Huang Jin‐Feng , Liao Jie‐Qiao 
Published: December 2022

AbstractQuantum thermalization and thermal entanglement in the open quantum Rabi model (QRM), in which a two‐level system and a single‐mode bosonic field are coupled to either two individual heat baths or a common heat bath, are studied. By treating the QRM as an effective multilevel system and deriving global quantum master equations in the eigenstate representation of the QRM, the physical conditions for quantum thermalization of the QRM is studied. It is found that, in the individual heat‐bath case, the QRM can only be thermalized when either the two heat baths have the same temperature or the QRM is only coupled to one of the two baths. In the common heat‐bath case, differently, the QRM can always be thermalized. Thermal entanglement of the QRM in both the resonant‐ and non‐resonant coupling cases is also studied. The logarithmic negativity for the thermal state of the QRM is obtained in a wide parameter space, ranging from the low‐ to high‐temperature limits, and from the weak‐ to deep‐strong‐coupling regimes. This work paves the way toward the study of quantum effects in nonequilibrium ultrastrongly‐coupled light‐matter systems.
Turn‐on Circularly Polarized Luminescence in Chiral Indium Chlorides by 5s2 Metal Centers
Authors: Wang Zhiyu , Wang Xiaoming , Chen Zhongwei , Liu Yang , Xie Huilin , Xue Jie , Mao Lingling , Yan Yanfa , Lu Haipeng 
Published: December 2022

AbstractIntroducing chirality into the metal‐halide hybrids has enabled many emerging properties including chiroptical activity, spin‐dependent transport, and ferroelectricity. However, most of the chiral metal‐halide hybrids to date are non‐emissive, and the underlying mechanism remains elusive. Here, we show a new strategy to turn on the circularly polarized luminescence (CPL) in chiral metal‐halide hybrids. We demonstrate that alloying Sb3+ into chiral indium‐chloride hybrids dramatically increases the photoluminescence quantum yield in two new series of chiral indium‐antimony chlorides. These materials exhibit strong CPL signals with tunable energy and a high dissymmetry factor up to 1.5×10−2. Mechanistic studies reveal that the emission originates from the self‐trapped excitons centered in 5s2 Sb3+. Moreover, near‐ultraviolet pumped white light is demonstrated with a polarization up to 6.0 %. Our work demonstrates new strategies towards highly luminescent chiral metal‐halide hybrids.
Bottlenose dolphins share fish farm areas while maintaining sexual segregation: Investigating group memberships through spatially and temporally explicit parameters
Authors: Bonizzoni Silvia , Genov Tilen , Bearzi Giovanni 
Published: December 2022

Abstract

Group membership is a key attribute of animal societies and central to the study of social structure in several taxa. However, social structure analyses are sensitive to the way data are collected and associations defined.
In this study, a time–space method was used to investigate the social structure of common bottlenose dolphins Tursiops truncatus observed and photographed across 7 years in the semi‐enclosed Gulf of Corinth, Greece. Instead of adopting traditional group definitions, individuals were considered as being members of the same group if photographed within a specific time and space window. This approach can be applied post hoc across studies and can offer advantages under challenging sampling conditions (e.g. when dealing with groups spread over vast areas or when group membership is otherwise hard to assess).
Dolphins were mostly found around coastal cage aquaculture facilities farming European sea bass Dicentrarchus labrax and gilthead seabream Sparus aurata.
Dolphins formed clusters largely or entirely composed of individuals of the same sex, suggestive of sex‐based homophily. Habitat partitioning was not detected: there was substantial spatial overlap among dolphin clusters, with all individuals using a relatively small area in the northern portion of the Gulf, where most of the productive fish farms were located. Associations between females were stronger than those between males, and daughters tended to stay in the group of their mothers.
Sex‐based social clustering may allow females and calves to limit interactions with potentially aggressive males, while individuals of both sexes benefit from prey concentrated around fish farms.
Adaptation to foraging around farms can result in trade‐offs between the costs and benefits of nourishment and social interaction. This may have both positive or negative effects on the animals that should be considered in the context of ensuring their favourable conservation status.
Discovery of new cyanopyridine/chalcone hybrids as dual inhibitors of EGFR/BRAFV600E with promising antiproliferative properties
Authors: Abou‐Zied Hesham A. , Beshr Eman A. M. , Gomaa Hesham A. M. , Mostafa Yaser A. , Youssif Bahaa G. M. , Hayallah Alaa M. , Abdel‐Aziz Mohamed 
Published: December 2022

AbstractAs dual EGFR and BRAFV600E inhibitors, 2‐(3‐cyano‐4,6‐bis(aryl)‐2‐oxo‐1,2‐dihydropyridine‐1‐yl)‐N‐(4‐cinnamoylphenyl) acetamide derivatives 8–20 were developed. Compounds 8, 12, and 13 showed strong antiproliferative activity when the target compounds were synthesized and tested in vitro against four cancer cell lines. These hybrids have a dual inhibition activity on EGFR and BRAFV600E, according to in vitro studies. The EGFR was inhibited by compounds 8, 12, and 13 with IC50 values between 89 and 110 nM, which were equivalent to those of erlotinib (IC50 = 80 nm). Compound 13 was found to be an effective inhibitor of the proliferation of cancer cells (GI50 = 0.72 µM) and demonstrated hopeful inhibitory activity of BRAFV600E (IC50 = 58 nm), which is superior to erlotinib (IC50 = 65 nm). Compound 13 caused apoptosis and showed cell cycle arrest in the G0/G1phase in a study on the MCF‐7 cell line. The new compounds can fit tightly into the active sites of EGFR and BRAFV600E kinases, according to molecular docking analyses.
The branch‐cut cosmology: A topological canonical quantum‐mechanics approach
Authors: Hess Peter O. , Zen Vasconcellos César A. , de Freitas Pacheco José , Hadjimichef Dimiter , Bodmann Benno 
Published: December 2022

AbstractIn this contribution, we sketch a branch‐cut quantum formulation of the Wheeler‐DeWitt equation analytically continued to the complex plane. As a starting point, we base our approach on the Hořava‐Lifshitz formulation of gravity, which employs higher spatial‐derivative terms of the spacetime curvature for renormalization reasons. Following standard procedures, the quantization of the Lagrangian density is achieved by raising the Hamiltonian, the dynamical variable , which represents the the branch‐cut complex scale factor, and the conjugate momentum pln to the category of operators. We arrive at a Schrödinger‐type equation with a non‐linear potential. Solutions are then obtained and discussed for different potential parameterizations. The results reinforce the conception of a quantum leap between the contraction and expansion phases of the branch‐cut universe, in good agreement with the Bekenstein criterion.
Model‐free conditional screening for ultrahigh‐dimensional survival data via conditional distance correlation
Authors: Cui Hengjian , Liu Yanyan , Mao Guangcai , Zhang Jing 
Published: December 2022

AbstractHow to select the active variables that have significant impact on the event of interest is a very important and meaningful problem in the statistical analysis of ultrahigh‐dimensional data. In many applications, researchers often know that a certain set of covariates are active variables from some previous investigations and experiences. With the knowledge of the important prior knowledge of active variables, we propose a model‐free conditional screening procedure for ultrahigh dimensional survival data based on conditional distance correlation. The proposed procedure can effectively detect the hidden active variables that are jointly important but are weakly correlated with the response. Moreover, it performs well when covariates are strongly correlated with each other. We establish the sure screening property and the ranking consistency of the proposed method and conduct extensive simulation studies, which suggests that the proposed procedure works well for practical situations. Then, we illustrate the new approach through a real dataset from the diffuse large‐B‐cell lymphoma studyS1.
“Toehold Switches; a foothold for Synthetic Biology”
Authors: Yarra Sai Sumanjali , Ashok Ganapathy , Mohan Utpal 
Published: December 2022

AbstractToehold switches are de novo designed riboregulators that contain two RNA components interacting through linear‐linear RNA interactions, regulating the gene expression. These are highly versatile, exhibit excellent orthogonality, wide dynamic range, and are highly programmable, so can be used for various applications in synthetic biology. In this review, we summarized and discussed the design characteristics and benefits of toehold switch riboregulators over conventional riboregulators. We also discussed applications and recent advancements of toehold switch riboregulators in various fields like gene editing, DNA nanotechnology, translational repression, and diagnostics (detection of microRNAs and some pathogens). Toehold switches, therefore, furnished advancement in synthetic biology applications in various fields with their prominent features.
A high‐resolution mass spectrometry–based methodology for characterization and identification of methylophiopogonanone B metabolites from cryopreserved hepatocytes and liver microsomes
Authors: Wu Dawei , Wang Chengcheng , Zhang Xiaolong , Xie Tiantian 
Published: December 2022

AbstractMethylophiopogonanone B (MOB), one of the homoisoflavonoids isolated from Ophiopogon japonicus, has been demonstrated to possess antioxidative and antitumor activities. The aim of this work was to investigate the metabolism of MOB using liver microsomes and hepatocytes. MOB was individually incubated with rat, monkey, and human hepatocytes to generate the metabolites. To investigate the bioactivation pathways, MOB was incubated with liver microsomes in the presence of glutathione (GSH). All the metabolites were detected and identified using LC with a quadrupole Orbitrap mass spectrometer. Under the current conditions, nine metabolites were identified in hepatocyte incubations. Of these metabolites, M7 derived from hydroxylation was identified as the most abundant metabolite in hepatocyte incubation. MOB was metabolized via demethylation, hydroxylation, and glucuronidation. In liver microsomes, five GSH conjugates were detected and identified. MOB was subjected to bioactivation through demethylation yielding M9, which further formed quinone‐methide and ortho‐quinone intermediates, followed by GSH conjugation. This work is the first to study the metabolism of MOB, which will help us understand its disposition and efficacy.
Transient receptor potential ion channels and cerebral stroke
Authors: Xu Qin'yi , Zou Yan , Miao Zeng'li , Jiang Lei , Zhao Xu'dong 
Published: December 2022

AbstractMethodsThe databases Pubmed, and the National Library of Medicine were searched for literature. All papers on celebral stroke and transient receptor potential ion channels were considered.ResultsStroke is the second leading cause of death and disability, with an increasing incidence in developing countries. About 75 per cent of strokes are caused by occlusion of cerebral arteries, and substantial advances have been made in elucidating mechanisms how stroke affects the brain. Transient receptor potential (TRP) ion channels are calcium‐permeable channels highly expressed in brain that drives Ca2+ entry into multiple cellular compartments. TRPC1/3/4/6, TRPV1/2/4, and TRPM2/4/7 channels have been implicated in stroke pathophysiology.ConclusionsAlthough the precise mechanism of transient receptor potential ion channels in cerebral stroke is still unclear, it has the potential to be a therapeutic target for patients with stroke if developed appropriately. Hence, more research is needed to prove its efficacy in this context.
From sustainable value to shareholder value: The impact of sustainable governance and anti‐corruption programs on market valuation
Authors: Cardoni Andrea , Kiseleva Evgeniia , Arduini Simona , Terzani Simone 
Published: December 2022

AbstractThis study investigates the value relevance of corporate governance and anti‐corruption policies from a sustainable value perspective, basing the analysis on institutional and stakeholder theories. Using a sample of annual and sustainability reports of 110 listed companies of the world, published between 2018 and 2020, the study documents piecewise dependence between some components of sustainable value (i.e., governance and anti‐corruption) and market value for shareholders. Based on our findings, these components exert a significant positive influence on market performance for the sample of companies with an initial low level of these practices (beginners). However, companies with an already developed framework for sustainable governance and anti‐corruption (advanced) do not experience any significant fluctuations in market value in response to developments in respect of these components. Overall, the results suggest that unexpected activities and disclosure in respect of sustainable governance and anti‐corruption mechanisms are valued more highly by the market than new developments in initiatives and reporting where these mechanisms are already at mature levels. The research bridges the gap in the literature by explaining the influence of sustainable governance and anti‐corruption actions on market prices using piecewise regression; this contrasts with previous single‐model studies. Additionally, anti‐corruption is incorporated as a characteristic of sustainable governance in this research for the first time.