bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nanoscale Vector Magnetic Sensing with Current‐Driven Stochastic Nanomagnet
Authors: Zhang Shuai , Li Shihao , Guo Zhe , Xu Yan , Li Ruofan , Chen Zhenjiang , Song Min , Yang Xiaofei , Li Liang , Zou Xuecheng , You Long 
Published: January 2024

AbstractDetection of vector magnetic fields at nanoscale dimensions is critical in applications ranging from basic material science and fundamental physics to information storage and medical diagnostics. So far, nanoscale vector magnetic field sensing is achieved solely by exploiting a single nitrogen‐vacancy (NV) center in a diamond, by evaluating the Zeeman splitting of NV spin qubits by using the technique of an optically‐detected magnetic resonance. This protocol requires a complex optical setup and expensive detection systems to detect the photoluminescence light, which may limit miniaturization and scalability. Here, a simple approach with all‐electric operation to sensing a vector magnetic field at 200 × 200 nm2 dimensions is experimentally demonstrated, by monitoring a stochastic nanomagnet's transition probability from a metastable state, excited by a driving current due to spin‐orbit torque, to a settled state.
Raced and risky subjects: The interplay of racial and managerial ideologies as an expression of “colorblind” racism
Authors: Agung‐Igusti Rama P. 
Published: January 2024

AbstractContemporary manifestations of race are dynamic and elusive in the forms and shapes they take. “Colourblind” racism is effective at drawing on seemingly objective and race‐neutral discourses to obfuscate racialized forms of structural exclusion. Framed by Critical Race Theory and Critical Narrative Analysis this paper presents an example from the Australian context that examines the relationships between a grassroots initiative developed by creatives from the African diaspora and two not‐for‐profit human services organizations, to illustrate how ideologies of race are enacted and obscured by managerialist ideologies and discourses of risk. Specifically, it shows how harmful dominant cultural narratives of deficit and danger transforms racialized Africans in Australia into “risky subjects.” In a managerialist organization, risk must be controlled, and thus risk becomes the rationality for the control of racialized and risky subjects. Resistance to control by those subjects produces forms of organizational defensiveness that are mobilized through managerialist discourses and practices that work to structurally exclude. These findings illustrate the ways ideologies of race work alongside and through other ideological discourses and practices which render racialized dynamics of oppression race‐neutral.
Facilitating the Electrochemical Oxidation of ZnS through Iodide Catalysis for Aqueous Zinc‐Sulfur Batteries
Authors: Hei Peng , Sai Ya , Liu Chang , Li Wenjie , Wang Jing , Sun Xiaoqi , Song Yu , Liu Xiao‐Xia 
Published: January 2024

AbstractAqueous zinc‐sulfur (Zn‐S) batteries show great potential for unlocking high energy and safety aqueous batteries. Yet, the sluggish kinetic and poor redox reversibility of the sulfur conversion reaction in aqueous solution challenge the development of Zn‐S batteries. Here, we fabricate a high‐performance Zn‐S battery using highly water‐soluble ZnI2 as an effective catalyst. In situ experimental characterizations and theoretical calculations reveal that the strong interaction between I− and the ZnS nanoparticles (discharge product) leads to the atomic rearrangement of ZnS, weakening the Zn‐S bonding, and thus facilitating the electrochemical oxidation reaction of ZnS to S. The aqueous Zn‐S battery exhibited a high energy density of 742 Wh kg(sulfur)−1 at the power density of 210.8 W kg(sulfur)−1 and good cycling stability over 550 cycles. Our findings provide new insights about the iodide catalytic effect for cathode conversion reaction in Zn‐S batteries, which is conducive to promoting the future development of high‐performance aqueous batteries.
Hierarchical Self‐Assembly of Curved Aromatics: From Donor–Acceptor Porphyrins to Triply Periodic Minimal Surfaces
Authors: Kumar Sunit , Lis Tadeusz , Bury Wojciech , Chmielewski Piotr J. , Garbicz Mateusz , Stępień Marcin 
Published: January 2024

AbstractA saddle‐shaped π‐extended zinc porphyrin containing a peripheral pyridyl ligand undergoes quantitative self‐assembly into a cyclic trimer. The trimer has a prismatic structure with negatively curved side walls, which promote the formation of supramolecular organic frameworks stabilized by dispersion interactions. The first framework type, UWr‐1, has the npo topology, with a hexagonal structure analogous to the Schwartz H triply periodic minimal surface. Co‐crystallization of the trimer with either C60 and C70 produces the isomorphous cubic UWr‐2 and UWr‐3 phases, characterized by the ctn network topology and a structural relationship to the Fischer‐Koch minimal surface S. All three phases contain complex labyrinths of solvent‐filled channels, corresponding to very large probe‐accessible volumes (68 % to 76 %). The UWr‐2 network could be partly desolvated while retaining its long range dimensional order, indicating remarkable strength of the dispersion interactions in the crystal. A theoretical analysis of noncovalent interactions shows the role of geometrical matching between the negatively curved porphyrin units and positively curved fullerenes.
Vinylogous Urea—Urethane Vitrimers: Accelerating and Inhibiting Network Dynamics through Hydrogen Bonding
Authors: Engelen Stéphanie , Dolinski Neil D. , Chen Chuqiao , Ghimire Elina , Lindberg Charlie A. , Crolais Alex E. , Nitta Natsumi , Winne Johan M. , Rowan Stuart J. , Du Prez Filip E. 
Published: January 2024

AbstractVinylogous urethane (VUO) based polymer networks are widely used as catalyst‐free vitrimers that show rapid covalent bond exchange at elevated temperatures. In solution, vinylogous ureas (VUN) undergo much faster bond exchange than VUO and are highly dynamic at room temperature. However, this difference in reactivity is not observed in their respective dynamic polymer networks, as VUO and VUN vitrimers prepared herein with very similar macromolecular architectures show comparable stress relaxation and creep behavior. However, by using mixtures of VUO and VUN linkages within the same network, the dynamic reactions can be accelerated by an order of magnitude. The results can be rationalized by the effect of intermolecular hydrogen bonding, which is absent in VUO vitrimers, but is very pronounced for vinylogous urea moieties. At low concentrations of VUN, these hydrogen bonds act as catalysts for covalent bond exchange, while at high concentration, they provide a pervasive vinylogous urea ‐ urethane (VU) network of strong non‐covalent interactions, giving rise to phase separation and inhibiting polymer chain dynamics. This offers a straightforward design principle for dynamic polymer materials, showing at the same time the possible additive and synergistic effects of supramolecular and dynamic covalent polymer networks.
Selective Upcycling of Polyethylene Terephthalate towards High‐valued Oxygenated Chemical Methyl p‐Methyl Benzoate using a Cu/ZrO2 Catalyst
Authors: Cheng Jianian , Xie Jin , Xi Yongjie , Wu Xiaojing , Zhang Ruihui , Mao Zhihe , Yang Hongfang , Li Zelong , Li Can 
Published: January 2024

AbstractUpgrading of polyethylene terephthalate (PET) waste into valuable oxygenated molecules is a fascinating process, yet it remains challenging. Herein, we developed a two‐step strategy involving methanolysis of PET to dimethyl terephthalate (DMT), followed by hydrogenation of DMT to produce the high‐valued chemical methyl p‐methyl benzoate (MMB) using a fixed‐bed reactor and a Cu/ZrO2 catalyst. Interestingly, we discovered the phase structure of ZrO2 significantly regulates the selectivity of products. Cu supported on monoclinic ZrO2 (5 %Cu/m‐ZrO2) exhibits an exceptional selectivity of 86 % for conversion of DMT to MMB, while Cu supported on tetragonal ZrO2 (5 %Cu/t‐ZrO2) predominantly produces p‐xylene (PX) with selectivity of 75 %. The superior selectivity of MMB over Cu/m‐ZrO2 can be attributed to the weaker acid sites present on m‐ZrO2 compared to t‐ZrO2. This weak acidity of m‐ZrO2 leads to a moderate adsorption capability of MMB, and facilitating its desorption. Furthermore, DFT calculations reveal Cu/m‐ZrO2 catalyst shows a higher effective energy barrier for cleavage of second C−O bond compared to Cu/t‐ZrO2 catalyst; this distinction ensures the high selectivity of MMB. This catalyst not only presents an approach for upgrading of PET waste into fine chemicals but also offers a strategy for controlling the primary product in a multistep hydrogenation reaction.
Three‐Dimensional Polar Perovskites for Highly Sensitive Self‐Driven X‐Ray Detection
Authors: Guan Qianwen , You Shihai , Zhu Zeng‐Kui , Li Ruiqing , Ye Huang , Zhang Chengshu , Li Hang , Ji Chengmin , Liu Xitao , Luo Junhua 
Published: January 2024

AbstractThree‐dimensional (3D) organic–inorganic hybrid perovskites (OIHPs) have achieved tremendous success in direct X‐ray detection due to their high absorption coefficient and excellent carrier transport. However, owing to the centrosymmetry of classic 3D structures, these reported X‐ray detectors mostly require external electrical fields to run, resulting in bulky overall circuitry, high energy consumption, and operational instability. Herein, we first report the unprecedented radiation photovoltage in 3D OIHP for efficient self‐driven X‐ray detection. Specifically, the 3D polar OIHP MhyPbBr3 (1, Mhy=methylhydrazine) shows an intrinsic radiation photovoltage (0.47 V) and large mobility‐lifetime product (1.1×10−3 cm2 V−1) under X‐ray irradiation. Strikingly, these excellent physical characteristics endow 1 with sensitive self‐driven X‐ray detection performance, showing a considerable sensitivity of 220 μC Gy−1 cm−2, which surpasses those of most self‐driven X‐ray detectors. This work first explores highly sensitive self‐driven X‐ray detection in 3D polar OIHPs, shedding light on future practical applications.
Microbubble Biointerfacing by Regulation of the Platelet Membrane Surfactant Activity at the Gas‐Liquid Interface for Acute Thrombosis Targeting
Authors: Wang Jiahui , Jin Weikui , Huang Shengyu , Wang Wenqi , Wang Siyu , Yu Zhen , Gao Li , Gao Yu , Han Hao , Wang Lianhui 
Published: January 2024

AbstractBiointerfacing nanomaterials with cell membranes has been successful in the functionalization of nanoparticles or nanovesicles, but microbubble functionalization remains challenging due to the unique conformation of the lipid monolayer structure at the gas‐liquid interface that provides insufficient surfactant activity. Here, we describe a strategy to rationally regulate the surfactant activity of platelet membrane vesicles by adjusting the ratio of proteins to lipids through fusion with synthetic phospholipids (i.e., liposomes). A “platesome” with the optimized protein‐to‐lipid ratio can be assembled at the gas‐liquid interface in the same manner as pulmonary surfactants to stabilize a microsized gas bubble. Platesome microbubbles (PMBs) inherited 61.4 % of the platelet membrane vesicle proteins and maintained the active conformation of integrin αIIbβ3 without the talin 1 for fibrin binding. We demonstrated that the PMBs had good stability, long circulation, and superior functionality both in vitro and in vivo. Moreover, by molecular ultrasound imaging, the PMBs provide up to 11.8 dB of ultrasound signal‐to‐noise ratio enhancement for discriminating between acute and chronic thrombi. This surface tension regulating strategy may provide a paradigm for biointerfacing microbubbles with cell membranes, offering a potential new approach for the construction of molecular ultrasound contrast agents for the diagnosis of different diseases.
Stereodivergent Protein Engineering of Fatty Acid Photodecarboxylase for Light‐Driven Kinetic Resolution of Sec‐Alcohol Oxalates
Authors: Mou Kaihao , Guo Yue , Xu Weihua , Li Danyang , Wang Zhiguo , Wu Qi 
Published: January 2024

AbstractStereodivergent engineering of one enzyme to create stereocomplementary variants for synthesizing optically pure molecules with tailor‐made (R) or (S) configurations on an optional basis is highly desirable and challenging. This study aimed to engineer fatty acid photodecarboxylase from Chlorella variabilis (CvFAP) using the focused rational iterative site‐specific mutagenesis (FRISM) strategy to obtain two highly stereocomplementary variants with excellent selectivity (both giving products with up to 99 % e.e.). These variants were used for the CvFAP‐catalyzed light‐driven kinetic resolution of oxalates or oxamic acids prepared from the corresponding sec‐alcohols or amines, providing a new biotransformation process for preparing chiral sec‐alcohols and amines. Molecular dynamics simulation, kinetic data and transient spectra revealed the source of selectivity. This study represents the first example of the kinetic resolution of sec‐alcohols or amines catalyzed by a pair of stereocomplementary CvFAPs.
Intensified Continuous Flow Process for the Scalable Production of Bio‐Based Glycerol Carbonate**
Authors: Muzyka Claire , Renson Sébastien , Grignard Bruno , Detrembleur Christophe , Monbaliu Jean‐Christophe M. 
Published: January 2024

AbstractA subtle combination of fundamental and applied organic chemistry toward process intensification is demonstrated for the large‐scale production of bio‐based glycerol carbonate under flow conditions. The direct carbonation of bio‐based glycidol with CO2 is successfully carried out under intensified flow conditions, with Barton's base as a potent homogeneous organocatalyst. Process metrics for the CO2 coupling step (for the upstream production, output: 3.6 kg day−1, Space Time Yield (STY): 2.7 kg h−1 L−1, Environmental factor (E‐factor): 4.7) outclass previous reports. High conversion and selectivity are achieved in less than 30 s of residence time at pilot scale with a stoichiometric amount of CO2. Supporting DFT computations reveal the unique features of the mechanism in presence of Brønsted bases.
Modular Synthesis of Fully‐Substituted and Configuration‐Defined Alkyl Vinyl Ethers Enabled by Dual‐Functional Copper Catalysis
Authors: Jiang Zhong‐Tao , Chen Zhengzhao , Xia Ying 
Published: January 2024

AbstractHere we present a modular, chemo‐, regio‐, and stereoselective synthesis of fully‐substituted and configuration‐defined alkyl vinyl ethers (AVEs) using simple chemical feedstocks. The distinctive approach involves the chemo‐ and regioselective functionalization of the CF2 unit in gem‐difluorinated cyclopropanes with O−H and C−H nucleophiles in a specific order. The resulting highly functionalized cyclopropanyl ethers then undergo a stereoselective ring‐opening process to produce fully‐substituted and configuration‐defined AVEs. These AVEs are rarely accessible through conventional methods and are easily transformable. Mechanistic experiments indicate that the success of this method relies on the use of dual‐functional copper catalysis, which is involved in both the functionalization of the CF2 unit and the subsequent ring‐opening process.
Tailoring Li Deposition by Regulating Structural Connectivity of Electrochemical Li Reservoir in Li‐metal Batteries
Authors: Lin Liang , Yue Ke , Xia Li , Yan Xiaolin , Zheng Hongfei , Zhang Yinggan , Sa Baisheng , Li Junjie , Wang Laisen , Lin Jie , Liu Yujing , Wei Guoying , Peng Dong‐Liang , Xie Qingshui 
Published: January 2024

AbstractIrregular Li deposition is the major reason for poor reversibility and cycle instability in Li metal batteries, even leading to safety hazards, the causes of which have been extensively explored. The structural disconnection induced by completely dissolving Li in the traditional testing protocol is a key factor accounting for irregular Li growth during the subsequent deposition process. Herein, the critical role played by the structural connectivity of electrochemical Li reservoir in subsequent Li deposition behaviors is elucidated and a morphology‐performance correlation is established. The structural connection and resultant well‐distributed morphology of the in situ electrochemical Li reservoir ensure efficient electron transfer and Li+ diffusion pathway, finally leading to homogenized Li nucleation and growth. Tailoring the geometry of Li reservoir can improve the coulombic efficiency and cyclability of anode‐free Li metal batteries by optimizing Li deposition behavior.
Evolution of the temporal skull openings in land vertebrates: A hypothetical framework on the basis of biomechanics
Authors: Werneburg Ingmar , Preuschoft Holger 
Published: January 2024

AbstractThe complex constructions of land vertebrate skulls have inspired a number of functional analyses. In the present study, we provide a basic view on skull biomechanics and offer a framework for more general observations using advanced modeling approaches in the future. We concentrate our discussion on the cranial openings in the temporal skull region and work out two major, feeding‐related factors that largely influence the shape of the skull. We argue that (1) the place where the most forceful biting is conducted and (2) the handling of resisting food (sideward movements) constitute the formation and shaping of either one or two temporal arcades surrounding these openings. Diversity in temporal skull anatomy among amniotes can be explained by specific modulations of these factors with different amounts of acting forces which inevitably lead to deposition or reduction of bone material. For example, forceful anterior bite favors an infratemporal bar, whereas forceful posterior bite favors formation of an upper temporal arcade. Transverse forces (inertia and resistance of seized objects) as well as neck posture also influence the shaping of the temporal region. Considering their individual skull morphotypes, we finally provide hypotheses on the feeding adaptation in a variety of major tetrapod groups. We did not consider ligaments, internal bone structure, or cranial kinesis in our considerations. Involving those in quantitative tests of our hypotheses, such as finite element system synthesis, will provide a comprehensive picture on cranial mechanics and evolution in the future.
Comparison of different global ensemble prediction systems for tropical cyclone intensity forecasting
Authors: Lu Deyu , Ding Ruiqiang , Mao Jiangyu , Zhong Quanjia , Zou Qian 
Published: January 2024

AbstractMany meteorological centers have operationally implemented global model‐based ensemble prediction systems (GEPSs), making tropical cyclone (TC) forecasts from these systems available. The relatively low resolution of these GEPSs means that limits previous studies primarily focused on TC track forecasting. However, recent GEPS upgrades mean that TC intensity predictions from GEPSs are now also becoming of interest. This study focuses on the verification and comparison of the latest generation of GEPSs for TC intensity forecasts, particularly during the rapid intensification (RI) period over the western North Pacific (WP), eastern North Pacific (EP), and North Atlantic (NA) basins in 2021–2022. On average, the National Centers for Environmental Prediction (NCEP) GEPS performed best in predicting both TC intensity and RI across all three basins. Nevertheless, the exact timing of RI remains highly uncertain for these GEPS, indicating significant limitations in using GEPSs to forecast RI.
Teaching biologics design using molecular modeling and simulations
Authors: Phillips Andrew , Srinivas Anusha , Prentoska Ilina , O'Dea Margaret , Kustrup Matthew , Hurley Sarah , Bruno Savannah , Nguyen Vy , Lai Pin‐Kuang 
Published: January 2024

AbstractTeaching chemistry and biology students about biologics design remains challenging despite its increasing importance in pharmaceutical development. Monoclonal antibodies, commonly called mAbs, are the most popular biologics. They have been developed into drugs to treat various diseases in the past decades. Multiple challenges exist for designing proper formulations to stabilize mAbs, such as preventing aggregation and mitigating viscosity. Molecular modeling and simulations can improve pharmaceutical products by examining the interactions between mAbs and other compounds, such as excipients. To introduce students to biopharmaceuticals, eight students at the Stevens Institute of Technology participated in a semester‐long course to learn the challenges of pharmaceutical development and different computational skills to study biologics design. The students started with a limited background in this field. Throughout one semester, they were introduced to various literature and software tools for modeling antibodies and studying their interactions with excipients. This paper aims to develop a course structure to be replicated at other universities and institutions to teach biopharmaceutical development to students.
Esports can bring growth, but requires commitment
Authors: McCarthy Claudine 
Published: January 2024

From his front row seat in the national arena of esports at two‐year colleges, Jeff White, J.D., expects to see continued progress and ongoing growth in esports programs, which in turn can help colleges attract more students to their institutions. “Esports are 100% an enrollment strategy for institutions and a retention and completion strategy for students,” he said.
Epoxidation of Olefins Catalyzed by Sulfate‐based Supramolecular Ion Pairs
Authors: Schmidt Fabian , Poplata Saner , Morris Danny , Burger Stefan , Hegelmann Markus , Love Jason B. , Cokoja Mirza 
Published: January 2024

AbstractThe development of inexpensive and effective catalysts for the epoxidation of olefins to epoxides, which are key commodities for the chemical industry, is a continuing challenge. In this context, we present a supramolecular solution with the development of new host‐guest assemblies of sulfate ions and amidoammonium receptor cations that, for the first time, are shown to act as catalysts for olefin epoxidation by hydrogen peroxide under biphasic conditions. Analysis of the reaction mechanism shows that the reactive and oxidizing peroxymonosulfate is formed in the organic phase. Furthermore, a variety of readily available precursors may be used to form the supramolecular ion pairs (SIPs), which is enabling a large‐scale synthesis of the catalysts while maintaining catalytic control and effectiveness.
An Interface‐cascading Silicon Photoanode with Strengthened Built‐in Electric Field and Enriched Surface Oxygen Vacancies for Efficient Photoelectrochemical Water Splitting
Authors: Yin Zhuocheng , Zhang Kaini , Shi Yuchuan , Wang Yiqing , Shen Shaohua 
Published: January 2024

AbstractTo promote interfacial charge transfer process and accelerate surface water oxidation reaction kinetics for photoelectrochemical (PEC) water splitting over n‐type Silicon (n‐Si) based photoanodes, herein, starting with surface stabilized n‐Si/CoOx, a NiOx/NiFeOOH composite overlayer was coated by atomic layer deposition and spray coating to fabricate the multilayer structured n‐Si/CoOx/NiOx/NiFeOOH photoanode. Encouragingly, the obtained n‐Si/CoOx/NiOx/NiFeOOH photoanode exhibits much increased PEC activity for water splitting, with onset potential cathodically shifted to ~0.96 V vs. RHE and photocurrent density increased to 22.6 mA cm−2 at 1.23 V vs. RHE for OER, as compared to n‐Si/CoOx, even significantly surpassing the counterpart n‐Si/CoOx/NiOx/FeOOH and n‐Si/CoOx/NiOx/NiOOH photoanodes. Photophysical and electrochemical characterizations evidence that the deposited CoOx/NiOx/NiFeOOH composite overlayer would create large band bending and strong built‐in electric field at the introduced cascading interfaces, thereby producing a large photovoltage of 650 mV to efficiently accelerate charge transfer from the n‐Si substrate to the electrolyte for water oxidation. Furthermore, the surface oxygen vacancy enriched NiFeOOH overlayer could effectively catalyze the water oxidation reaction by thermodynamically reducing the energy barrier of rate determining step for OER.