bluuebunny/crossref_metadata_2025_split huggingface dataset:
Influence of Methylammonium Chloride on Wide‐Bandgap Halide Perovskites Films for Solar Cells
Authors: Guaita Maria G. D. , Szostak Rodrigo , da Silva Francisco M. C. , de Morais Andreia , Moral Raphael F. , Kodalle Tim , Teixeira Verônica C. , Sutter‐Fella Carolin M. , Tolentino Hélio C. N. , Nogueira Ana F. 
Published: September 2023

AbstractWide‐bandgap perovskites are of paramount importance as the photoactive layer of the top cell in high‐efficiency tandem solar cells. Comparably high Br contents are required to widen the perovskite bandgap. However, the increase in Br content causes heterogeneous halide distribution and photoinstability. Here, the positive effect of the additive methylammonium chloride (MACl) on the optical and electronic properties of Br‐rich perovskite, deposited using N‐methyl‐2‐pyrrolidone (NMP) as co‐solvent and the gas quenching method, is investigated. Simultaneous in situ grazing‐incidence wide‐angle X‐ray scattering and photoluminescence spectroscopy are used to track the evolution of the structural and optoelectronic properties of the perovskites with different amounts of Br and MACl during the spin‐coating and thermal annealing steps. The formation mechanism is elucidated in the presence of MACl. It is observed that chloride ions inhibit the intermediate phases, favoring the formation of a perovskite phase with higher crystallinity. Nano X‐ray fluorescence mapping recognizes Br‐richer and poorer nanometric domains, whose average sizes reduce for samples with MACl. In conclusion, it is demonstrated that adding MACl affects the formation of wide‐bandgap perovskites via destabilization of the intermediate phases and acts on the homogenization of the halide distribution, leading to improved solar cell performances.
Semiconducting Transport in Pb10−XCux(PO4)6O Sintered from Pb2SO5 and Cu3P
Authors: Liu Li , Meng Ziang , Wang Xiaoning , Chen Hongyu , Duan Zhiyuan , Zhou Xiaorong , Yan Han , Qin Peixin , Liu Zhiqi 
Published: September 2023

AbstractThe recent claim on the discovery of ambient‐pressure room‐temperature superconductivity in Cu‐doped lead‐apatite has attracted sensational attention. The intriguing compound has been fabricated by sintering lanarkite (Pb2SO5) and copper(І) phosphide (Cu3P). To verify this exciting claim, Pb2SO5, Cu3P, and finally the modified lead‐apatite Pb10−xCux(PO4)6O have been successfully synthesized. Detailed electrical transport and magnetic properties of these compounds are systematically analyzed. It turns out that Pb2SO5 is a highly insulating diamagnet and Cu3P is a paramagnetic metal. The obtained nominal Pb10−xCux(PO4)6O compound sintered from Pb2SO5 and Cu3P exhibits semiconductor‐like transport behavior with a large room‐temperature resistivity of ≈1.94 × 104 Ω·cm, although the major phase of the compound shows consistent X‐ray diffraction spectrum with the previously reported structure data. In addition, when a Pb10−xCux(PO4)6O pellet pressed from uniformly ground powder is located on top of a commercial Nd2Fe14B magnet at room temperature, no repulsion can be felt and no magnetic levitation is observed either. The large difference in electrical and magnetic properties between the compounds and the previously reported compounds might be induced by distinct fine crystallographic structures, diverse multi‐phase distributions, and different concentrations of impurity phases such as Cu2S, all of which deserve further study.
The Origin of the Intracellular Silver in Bacteria: A Comprehensive Study using Targeting Gold–Silver Alloy Nanoparticles
Authors: Streich Carmen , Stein Frederic , Jakobi Jurij , Ingendoh‐Tsakmakidis Alexandra , Heine Nils , Rehbock Christoph , Winkel Andreas , Grade Sebastian , Kühnel Mark , Migunov Vadim , Kovács András , Knura Thomas , Stiesch Meike , Sures Bernd , Barcikowski Stephan 
Published: September 2023

AbstractThe bactericidal effects of silver nanoparticles (Ag NPs) against infectious strains of multiresistant bacteria is a well‐studied phenomenon, highly relevant for many researchers and clinicians battling bacterial infections. However, little is known about the uptake of the Ag NPs into the bacteria, the related uptake mechanisms, and how they are connected to antimicrobial activity. Even less information is available on AgAu alloy NPs uptake. In this work, the interactions between colloidal silver–gold alloy nanoparticles (AgAu NPs) and Staphylococcus aureus (S. aureus) using advanced electron microscopy methods are studied. The localization of the nanoparticles is monitored on the membrane and inside the bacterial cells and the elemental compositions of intra‐ and extracellular nanoparticle species. The findings reveal the formation of pure silver nanoparticles with diameters smaller than 10 nm inside the bacteria, even though those particles are not present in the original colloid. This finding is explained by a local RElease PEnetration Reduction (REPER) mechanism of silver cations emitted from the AgAu nanoparticles, emphasized by the localization of the AgAu nanoparticles on the bacterial membrane by aptamer targeting ligands. These findings can deepen the understanding of the antimicrobial effect of nanosilver, where the microbes are defusing the attacking silver ions via their reduction, and aid in the development of suitable therapeutic approaches.
Pericardial Delivery of SDF‐1α Puerarin Hydrogel Promotes Heart Repair and Electrical Coupling
Authors: Luo Li , Li Yuetong , Bao Ziwei , Zhu Dashuai , Chen Guoqin , Li Weirun , Xiao Yingxian , Wang Zhenzhen , Zhang Yixin , Liu Huifang , Chen Yanmei , Liao Yulin , Cheng Ke , Li Zhenhua 
Published: September 2023

AbstractThe stromal‐derived factor 1α/chemokine receptor 4 (SDF‐1α/CXCR4) axis contributes to myocardial protection after myocardial infarction (MI) by recruiting endogenous stem cells into the ischemic tissue. However, excessive inflammatory macrophages are also recruited simultaneously, aggravating myocardial damage. More seriously, the increased inflammation contributes to abnormal cardiomyocyte electrical coupling, leading to inhomogeneities in ventricular conduction and retarded conduction velocity. It is highly desirable to selectively recruit the stem cells but block the inflammation. In this work, SDF‐1α‐encapsulated Puerarin (PUE) hydrogel (SDF‐1α@PUE) is capable of enhancing endogenous stem cell homing and simultaneously polarizing the recruited monocyte/macrophages into a repairing phenotype. Flow cytometry analysis of the treated heart tissue shows that endogenous bone marrow mesenchymal stem cells, hemopoietic stem cells, and immune cells are recruited while SDF‐1α@PUE efficiently polarizes the recruited monocytes/macrophages into the M2 type. These macrophages influence the preservation of connexin 43 (Cx43) expression which modulates intercellular coupling and improves electrical conduction. Furthermore, by taking advantage of the improved “soil”, the recruited stem cells mediate an improved cardiac function by preventing deterioration, promoting neovascular architecture, and reducing infarct size. These findings demonstrate a promising therapeutic platform for MI that not only facilitates heart regeneration but also reduces the risk of cardiac arrhythmias.
Fabric‐Based Smart Metasurface
Authors: Chen Hao , Lu Wei‐Bing , Geng Ming‐Yang , Yu Bu‐Yun , Zhang Chao , Bo Xin‐Zhi , Li Meng‐Zi , Kou Zhen‐Hao , Zhan Jun‐Lin , Liu Zhen‐Guo 
Published: September 2023

AbstractFabric presents several advantages including excellent flexibility, lightweight, bend resilience, breathable properties, and significant price advantage compared to commercial low‐loss boards, providing a natural advantage for the preparation of flexible electromagnetic (EM) devices and wearable systems. A key challenge when using fabric as the substrate for active devices lies in the contradiction between the poor high‐temperature resistance of fabric materials and the welding requirements for semiconductor components, leading to a significant gap between flexible and traditional RF technology. Benefiting from the unique fiber structure of fabric materials, a conjecture is creatively proposed for integrating lumped components onto fabric substrates through the sewing method and successfully verifying its validity and stability. As an application, a fabric‐based smart metasurface (FSM) is designed and realized for potential portable EM protection applications. The proposed FSM has the advantage of good flexibility, low cost, and a high strength‐to‐weight ratio. By carefully designing the structure of the metasurface and also the sensing module, large‐angle stable EM performance is achieved, and the FSM can function well even under highly distorted conditions. The proposed method and product inspire promising application aspects in wearable electronics, portable EM protection, and related flexible RF technologies.
Sonodynamic Therapy of NRP2 Monoclonal Antibody‐Guided MOFs@COF Targeted Disruption of Mitochondrial and Endoplasmic Reticulum Homeostasis to Induce Autophagy‐Dependent Ferroptosis
Authors: Zhao Zhiyu , Wu Yanjie , Liang Xiaochen , Liu Jiajing , Luo Yi , Zhang Yijia , Li Tingting , Liu Cong , Luo Xian , Chen Jialin , Wang Yunjie , Wang Shengyu , Wu Ting , Zhang Shaoliang , Yang Dong , Li Wengang , Yan Jianghua , Ke Zhihai , Luo Fanghong 
Published: September 2023

AbstractThe lethality and chemotherapy resistance of pancreatic cancer necessitates the urgent development of innovative strategies to improve patient outcomes. To address this issue, we designed a novel drug delivery system named GDMCN2,which uses iron‐based metal organic framework (Fe‐MOF) nanocages encased in a covalent organic framework (COF) and modified with the pancreatic cancer‐specific antibody, NRP2. After being targeted into tumor cells, GDMCN2 gradually release the sonosensitizer sinoporphyrin sodium (DVDMS) and chemotherapeutic gemcitabine (GEM) and simultaneously generated reactive oxygen species (ROS) under ultrasound (US) irradiation. This system can overcome gemcitabine resistance in pancreatic cancer and reduce its toxicity to non‐targeted cells and tissues. In a mechanistic cascade, the release of ROS activates the mitochondrial transition pore (MPTP), leading to the release of Ca2+ and induction of endoplasmic reticulum (ER) stress. Therefore, microtubule‐associated protein 1A/1B‐light chain 3 (LC3) is activated, promoting lysosomal autophagy. This process also induces autophagy‐dependent ferroptosis, aided by the upregulation of Nuclear Receptor Coactivator 4 (NCOA4). This mechanism increases the sensitivity of pancreatic cancer cells to chemotherapeutic drugs and increases mitochondrial and DNA damage. The findings demonstrate the potential of GDMCN2 nanocages as a new avenue for the development of cancer therapeutics.
Biocompatible Cryogel with Good Breathability, Exudate Management, Antibacterial and Immunomodulatory Properties for Infected Diabetic Wound Healing
Authors: Li Yang , Yang Zifeng , Sun Qi , Xu Ruijun , Li Renjie , Wu Dingcai , Huang Rongkang , Wang Feng , Li Yong 
Published: September 2023

AbstractDue to the complex microenvironment and healing process of diabetic wounds, developing wound dressing with good biocompatibility, mechanical stability, breathability, exudate management, antibacterial ability, and immunomodulatory property is highly desired but remains a huge challenge. Herein, a multifunctional cryogel is designed and prepared with bio‐friendly bacterial cellulose, gelatin, and dopamine under the condition of sodium periodate oxidation. Bacterial cellulose can enhance the mechanical stability of the cryogel by improving the skeleton supporting effect and crosslinking degree. The cryogel shows outstanding breathability and exudate management capability thanks to the interpenetrated porous structures. I2 and sodium iodides produced in situ by reduction of sodium periodate provide efficient antibacterial properties for the cryogel. The cryogel facilitates macrophage polarization from M1 to M2, thus regulating the immune microenvironment of infected diabetic wounds. With these advantages, the multifunctional cryogel effectively promotes collagen deposition and neovascularization, thus accelerating the healing of infected diabetic wounds.
Uncovering and Experimental Realization of Multimodal 3D Topological Metamaterials for Low‐Frequency and Multiband Elastic Wave Control
Authors: Dorin Patrick , Khan Mustafa , Wang K. W. 
Published: September 2023

AbstractTopological mechanical metamaterials unlock confined and robust elastic wave control. Recent breakthroughs have precipitated the development of 3D topological metamaterials, which facilitate extraordinary wave manipulation along 2D planar and layer‐dependent waveguides. The 3D topological metamaterials studied thus far are constrained to function in single‐frequency bandwidths that are typically in a high‐frequency regime, and a comprehensive experimental investigation remains elusive. In this paper, these research gaps are addressed and the state of the art is advanced through the synthesis and experimental realization of a 3D topological metamaterial that exploits multimodal local resonance to enable low‐frequency elastic wave control over multiple distinct frequency bands. The proposed metamaterial is geometrically configured to create multimodal local resonators whose frequency characteristics govern the emergence of four unique low‐frequency topological states. Numerical simulations uncover how these topological states can be employed to achieve polarization‐, frequency‐, and layer‐dependent wave manipulation in 3D structures. An experimental study results in the attainment of complete wave fields that illustrate 2D topological waveguides and multi‐polarized wave control in a physical testbed. The outcomes from this work provide insight that will aid future research on 3D topological mechanical metamaterials and reveal the applicability of the proposed metamaterial for wave control applications.
Thermally Reentrant Crystalline Phase Change in Perovskite‐Derivative Nickelate Enabling Reversible Switching of Room‐Temperature Electrical Resistivity
Authors: Matsumoto Kota , Kawasoko Hideyuki , Nishibori Eiji , Fukumura Tomoteru 
Published: September 2023

AbstractReversible switching of room‐temperature electrical resistivity due to crystal‐amorphous transition is demonstrated in various chalcogenides for development of non‐volatile phase change memory. However, such reversible thermal switching of room‐temperature electrical resistivity has not reported in transition metal oxides so far, despite their enormous studies on the electrical conduction like metal‐insulator transition and colossal magnetoresistance effect. In this study, a thermally reversible switching of room‐temperature electrical resistivity is reported with gigantic variation in a layered nickelate Sr2.5Bi0.5NiO5 (1201‐SBNO) composed of (Sr1.5Bi0.5)O2 rock‐salt and SrNiO3 perovskite layers via unique crystalline phase changes between the conducting 1201‐SBNO with ordered (O‐1201), disordered Sr/Bi arrangements in the (Sr1.5Bi0.5)O2 layer (D‐1201), and insulating oxygen‐deficient double perovskite Sr2BiNiO4.5 (d‐perovskite). The O‐1201 is reentrant by high‐temperature annealing of ≈1000 °C through crystalline phase change into the D‐1201 and d‐perovskite, resulting in the thermally reversible switching of room‐temperature electrical resistivity with 102‐ and 109‐fold variation, respectively. The 1201‐SBNO is the first oxide to show the thermally reversible switching of room‐temperature electrical resistivity via the crystalline phase changes, providing a new perspective on the electrical conduction for transition metal oxides.
Origin of Rapid Delithiation In Secondary Particles Of LiNi0.8Co0.15Al0.05O2 and LiNiyMnzCo1−y−zO2 Cathodes
Authors: Wolfman Mark , May Brian M. , Goel Vishwas , Du Sicen , Yu Young‐Sang , Faenza Nicholas V. , Pereira Nathalie , Grenier Antonin , Wiaderek Kamila M. , Xu Ruqing , Wang Jiajun , Chapman Karena W. , Amatucci Glenn G. , Thornton Katsuyo , Cabana Jordi 
Published: September 2023

AbstractMost research on the electrochemical dynamics in materials for high‐energy Li‐ion batteries has focused on the global behavior of the electrode. This approach is susceptible to misleading analyses resulting from idiosyncratic kinetic conditions, such as surface impurities inducing an apparent two‐phase transformation within LiNi0.8Co0.15Al0.05O2. Here, nano‐focused X‐ray probes are used to measure delithiation operando at the scale of secondary particle agglomerates in layered cathode materials during charge. After an initial latent phase, individual secondary particles undergo rapid, stochastic, and largely uniform delithiation, which is in contrast with the gradual increase in cell potential. This behavior reproduces across several layered oxides. Operando X‐ray microdiffraction (‐XRD) leverages the relationship between Li content and lattice parameter to further reveal that rate acceleration occurs between Li‐site fraction (xLi) ≈0.9 and ≈0.5 for LiNi0.8Co0.15Al0.05O2. Physics‐based modeling shows that, to reproduce the experimental results, the exchange current density (i0) must depend on xLi, and that i0 should increase rapidly over three orders of magnitude at the transition point. The specifics and implications of this jump in i0 are crucial to understanding the charge‐storage reaction of Li‐ion battery cathodes.
5‐Chloro‐2‐Hydroxypyridine Derivatives with Push‐Pull Electron Structure Enable Durable and Efficient Perovskite Solar Cells
Authors: Zheng Can , Liu Lidan , Li Yong , Gao Ang , Yang Zhou , Zhang Lu , Liu Zhike , Wang Dapeng , Liu Shengzhong (Frank) 
Published: September 2023

AbstractTargeted passivation of defects in perovskite is the primary consideration in the design of additives containing functional groups. However, the precise modulation of electron structure in functional groups and the structure‐activity relationship between electronic configuration and performance of perovskite solar cells (PSCs) still need to be explored. In this study, 5‐chloro‐2‐hydroxypyridine derivatives with –NH2 (HNCLP) and –F (HFCLP) end groups are selected to realize the push‐pull electronic structure configuration. Density functional theory demonstrates that, compared with HFCLP, HNCLP with the electron‐donating terminal of –NH2 has a long dipole moment and immobilize the interstitial I3−, and the N side of pyridine with high‐density electron cloud enables strong passivation with undercoordinated Pb2+ ions. The experimental results confirm that HNCLP with optimized electronic configuration emerges strong passivation ability, greatly suppresses the nonradiative recombination of perovskite absorber, and remarkably improves the film crystal quality along with the extraction and transfer process of photogenerated carriers. The HNCLP‐contained PSC exhibits a remarkable efficiency of 24.47%, and HNCLP helps to enhance the moisture‐proof of perovskite film and device storage stability.
Distinct Self‐Discharge Processes via Manipulating Electrode Pore Size of Carbon‐Based Electrochemical Capacitors
Authors: Zhang Qing , Wang Yuru , Wei Bingqing 
Published: September 2023

AbstractControlling self‐discharge has become imperative for developing advanced electrochemical capacitors for periodic energy storage and integrated circuit design with superior cyclability and long lifespan. Carbons with various pore size distributions exhibit distinct self‐discharge performances where the voltage decay rate evolves differently as self‐discharge proceeds. A “three‐stage” self‐discharge model and the concept of two self‐discharge drags are proposed, depicting the evolution of driving forces in different carbons. The trajectory of ion migrating out of the double‐layer structure can be broken down section‐wise and correlated to specific impedance parameters by analyzing the diffusion kinetics data collected throughout the process, which can be further traced back to the structure‐dependent drags. The findings deepen the understanding of self‐discharge behavior and the effects of pore size on ionic diffusion kinetics, which will inspire exploring the underlying mechanism from a structural characteristics perspective.
Computer‐aided evaluation and exploration of chemical spaces constrained by reaction pathways
Authors: Levin Itai , Fortunato Michael E. , Tan Kian L. , Coley Connor W. 
Published: September 2023

AbstractThe processes of molecular design and synthetic route selection are necessarily intertwined during discovery. Computational tools have been developed to facilitate synthesis planning, but in a discovery setting, finding a single route to a single molecule of interest may be less important than finding a route that enables rapid access to a library of analogs. Here, we demonstrate how we can estimate route “diversifiability” and use it as a criterion during route selection. We illustrate how the chemical space of synthetically accessible analogs is influenced by properties of alternative starting materials or constraints on their cost. Finally, we integrate these analyses with a synthesizability‐constrained hit expansion workflow in a virtual screening pipeline for focused library expansion around putative hits to support molecular optimization. As medicinal chemistry and adjacent fields shift toward more autonomous design and synthesis of new molecules, it will be increasingly important to embed considerations of synthesizability into molecular design to ensure that computational recommendations are actionable.
Molecular phylogeny and evolution of inflorescence types in Eperua
Authors: ter Steege Hans , Fortes Elenice A. , Rozendaal Danaë M. A. , Erkens Roy H. J. , Sabatier Daniel , Aymard Gerardo , Duijm Elza , Eurlings Marcel , Grewe Felix , Pombo Maihyra M. , Gomes Vitor F. , de Mansano Vidal F. , de Oliveira Sylvia M. 
Published: September 2023

AbstractPremiseThe Amazonian hyperdominant genus Eperua (Fabaceae) currently holds 20 described species and has two strongly different inflorescence and flower types, with corresponding different pollination syndrome. The evolution of these vastly different inflorescence types within this genus was unknown and the main topic in this study.MethodsWe constructed a molecular phylogeny, based on the full nuclear ribosomal DNA and partial plastome, using Bayesian inference and maximum likelihood methods, to test whether the genus is monophyletic, whether all species are monophyletic and if the shift from bat to bee pollination (or vice versa) occurred once in this genus.ResultsAll but two species are well supported by the nuclear ribosomal phylogeny. The plastome phylogeny, however, shows a strong geographic signal suggesting strong local hybridization or chloroplast capture, rendering chloroplast barcodes meaningless in this genus.ConclusionsWith our data, we cannot fully resolve the backbone of the tree to clarify sister genera relationships and confirm monophyly of the genus Eperua. Within the genus, the shift from bat to bee and bee to bat pollination has occurred several times but, with the bee to bat not always leading to a pendant inflorescence.