bluuebunny/crossref_metadata_2025 huggingface dataset:
Unraveling the Atomic‐scale Mechanism of Phase Transformations and Structural Evolutions during (de)Lithiation in Si Anodes
Authors: Fu Fangjia , Wang Xiaoxu , Zhang Linfeng , Yang Yifang , Chen Jianhui , Xu Bo , Ouyang Chuying , Xu Shenzhen , Dai Fu‐Zhi , E Weinan
Published: May 2023

Unraveling the reaction paths and structural evolutions during charging/discharging processes are critical for the development and tailoring of silicon anodes for high‐capacity batteries. However, a mechanistic understanding is still lacking due to the complex phase transformations between crystalline (c‐) and amorphous (a‐) phases involved in electrochemical cycles. In this study, by employing a newly developed machine learning potential, the key experimental phenomena not only reproduce, including voltage curves and structural evolution pathways, but also provide atomic scale mechanisms associated with these phenomena. The voltage plateaus of both the c‐Si and a‐Si lithiation processes are predicted with the plateau value difference close to experimental measurements, revealing the two‐phase reaction mechanism and reaction path differences. The observed voltage hysteresis between lithiation and delithiation mainly originates from the transformation between the c‐Li15‐δSi4 and a‐Li15‐δSi4 phases. Furthermore, stress accumulation is simulated along different reaction paths, indicating a better cycling stability of the a‐Si anode due to the lower stress concentration. Overall, the study provides a theoretical understanding of the thermodynamics of the complex structural evolutions in Si anodes during (de)lithiation processes, which may play a role in optimizations for battery performances.
Carbon Nanotube Optoelectronic Synapse Transistor Arrays with Ultra‐Low Power Consumption for Stretchable Neuromorphic Vision Systems
Authors: Xie Tanghao , Wang Qinan , Li Min , Fang Yuxiao , Li Gang , Shao Shuangshuang , Yu Wenbo , Wang Suyun , Gu Weibing , Zhao Chun , Tang Minghua , Zhao Jianwen
Published: May 2023

High‐performance stretchable optoelectronic synaptic transistor arrays are key units for constructing and mimicking simulated neuromorphic vision systems. In this study, ultra‐low power consumption and low‐operation‐voltage stretchable all‐carbon optoelectronic synaptic thin film transistors (TFTs) using sorted semiconducting single‐walled carbon nanotubes (sc‐SWCNTs) modified with CdSe/ZnS quantum dots as active layers on ionic liquid‐based composite elastomer substrates are first reported. The resulting stretchable TFT devices show enhancement‐mode characteristics with excellent electrical properties (such as the record on/off ratios up to 105, negligible hysteresis, and small subthreshold swing), excellent mechanical tensile properties (such as the only 12.4% and 6.4% degradations of the carrier mobility after 20% vertical and horizontal strain stretching), and optoelectronic synaptic plasticity (for the recognition of Morse codes) with ultra‐low power consumptions (15.38 aJ) at the operating voltage from −1 to 0.2 V. At the same time, the designed nonvolatile conductance of the stretchable SWCNT optoelectronic synapse thin film transistors (SSOSTFTs) stimulated by UV light and the bending angle are first used to simulate stretchable neuromorphic vision systems (including the functions of the crystalline lens and optic cone cells as bionic eyes) for detecting the atmospheric environment with a record accuracy of 95.1% as a bionic eye.
Ultrasound‐Controlled Electron‐Phonon Coupling Augmenting Catalysis of Piezoelectric‐Based Sonosensitizer Safely Against Osteomyelitis
Authors: Fu Jieni , Wu Shuilin , Zhu Shengli , Zheng Yufeng , Jiang Hui , Wang Dongbin , Li Zhaoyang , Cui Zhenduo , Liu Xiangmei
Published: May 2023

The energy transfer way and efficiency of ultrasound (US) to piezoelectric materials in fluid determines the US catalytic performance of materials and the subsequent sono‐therapeutic effects for deep infection diseases. Herein, on insonation, the microbubble cavitation occurs near the surface of barium orthotitanate/berberine chloride nanoparticles (BTO/Ber NPs), often forming sonoluminescence and high pressure. The light further activates Ber, and the electron transfer happens between activated Ber and changing energy levels of BTO NPs caused by changing pressure. Meanwhile, ultrasound‐driven piezoelectric electron‐phonon coupling simultaneously narrows bandgap and prolongates carrier‐lifetime, leading to more ROS generation. Hence, BTO/Ber NPs show great antibacterial activity against Staphylococcus aureus (99.80 ± 0.09%) by microbubble‐mediated sonoporation and catalysis. Meanwhile, BTO/Ber NPs improve bone regeneration by decreasing the inflammatory response and enhancing osteoblast differentiation. US‐mediated microbubbles may offer a safe and efficient treatment to millions of patients suffering from osteomyelitis and pave the way for the highly safe use of ultrasound in deep infections.
A Transparent Poly(vinyl alcohol) Ion‐Conducting Organohydrogel for Skin‐Based Strain‐Sensing Applications
Authors: Paik Jennie J. , Jang Boonjae , Nam Sunghyun , Guo L. Jay
Published: May 2023

The increasing demand for cost‐efficient and user‐friendly wearable electronic devices has led to the development of stretchable electronics that are both cost‐effective and capable of maintaining sustained adhesion and electrical performance under duress. This study reports on a novel physically crosslinked poly(vinyl alcohol) (PVA)‐based hydrogel that serves as a transparent, strain‐sensing skin adhesive for motion monitoring. By incorporating Zn2+into the ice‐templated PVA gel, a densified amorphous structure is observed through optical and scanning electron microscopy, and it is found that the material can stretch up to 800% strain according to tensile tests. Fabrication in a binary glycerol:water solvent results in electrical resistance in the kΩ range, a gauge factor of 0.84, and ionic conductivity on the scale of 10−4S cm−1, making it a potentially low‐cost candidate for a stretchable electronic material. This study characterizes the relationship between improved electrical performance and polymer–polymer interactions through spectroscopic techniques, which play a role in the transport of ionic species through the material.
Surface Textured Double Layer Triboelectric Nanogenerator for Autonomous and Ultra‐Sensitive Biomedical Sensing
Authors: Riaz Raheel , Dudem Bhaskar , Costa Angeli Martina Aurora , Douaki Ali , Ahmad Mukhtar , Mejia‐Aguilar Abraham , Monsorno Roberto , Lugli Paolo , Silva S. Ravi P. , Petti Luisa
Published: May 2023

Triboelectric nanogenerators (TENGs) have demonstrated great promise especially for the realization of self‐powered biomedical sensors. Nevertheless, developing TENG sensors able to detect the broad range of biomechanical movements experienced on the human body is still a challenge. Herein, a unique ridge‐structured device sensitive to wide range of forces is reported (i.e., low‐forced pulse monitoring to high‐forced gait monitoring). The device is composed of thermoplastic polyurethane layer sandwiched between two textured silicon elastomeric layers. Compared to non‐textured surface configurations, the proposed ridged‐structure provides an increased frictional contact area between the triboelectric materials, while also acting as a spacer between the triboelectric materials. The influence of ridge dimensions on the output performance is investigated by mechanical simulations and electromechanical experimental tests. The optimized device shows a maximum peak output power and current densities of 490 mW m−2 and 1750 µA m−2, respectively at 30 N and 7 Hz of compressive forces. The proposed device exhibits stable electrical output for 10000 cycles. As a proof of concept, the proposed device is used as wearable sensors for monitoring pulse rate, breath patterns, and gait movements. The study suggests the possibility of utilization of novel‐structured sandwich‐type elastomer ridge‐based TENG in different aspects of biomedical sensing and smart wearable application.
Piezo‐Phototronic Effect‐Induced Self‐Powered Broadband Photodetectors using Environmentally Stable α‐CsPbI3 Perovskite Nanocrystals
Authors: Pal Sourabh , Ghorai Arup , Mahato Somnath , Ray Samit K.
Published: May 2023

Utilizing the remarkably high light absorption and long carrier diffusion length of inorganic perovskites, superior performance self‐powered broadband photodetectors using the vertical heterojunction of cesium lead iodide (CsPbI3) nanocrystals (NCs) and zinc oxide (ZnO) films on a flexible platform are reported. Here, the pure cubic or α‐phase of as‐synthesized CsPbI3 NCs facilitate the novelty of the present work in terms of their enhanced structural stability suitable for optical applications. The α‐CsPbI3/ZnO device exhibits superior performance with photoresponsivity of ≈8.2 AW−1, ON/OFF ratio of ≈2.4 × 104, and specific detectivity up to ≈1.4 × 1012 Jones. Furthermore, the piezo‐phototronic effect of ZnO has been exploited to enhance the device performance by utilizing the compressive strain‐induced piezoelectric charges for modulating the generation, separation, and transportation of charge carriers. By introducing an approximate −0.042% compressive strain in the hybrid heterostructure, the enhancement of photocurrent, spectral responsivity, and specific detectivity of the detector by ≈619%, ≈536%, and ≈506%, respectively, under visible light illumination has been successfully achieved. This work not only presents an inventive method for improving the performance of perovskite photodetectors through interface engineering, but it also provides a thorough understanding of the piezo‐phototronic effect on optoelectronic devices.
SBA‐15 Particles as Carriers for a Series of Platinum(IV) Complexes with Oxaliplatin Scaffolds Bearing Different Anti‐Inflammatory Drugs: Promising Strategy Against Breast Cancer
Authors: Predarska Ivana , Saoud Mohamad , Cepus Valentin , Hey‐Hawkins Evamarie , Kaluđerović Goran N.
Published: May 2023

Oxaliplatin is a third‐generation platinum(II)‐based drug mainly utilized to treat colon cancer, as part of a combinatory regime. Aiming to expand the knowledge on the effects of oxaliplatin and its derivatives on different tumor types, oxaliplatin‐based platinum(IV) platforms are designed and prepared to assess their antitumor capacity against various breast cancer cell lines. In the two axial positions of the platinum(IV) system, different inflammation reducing agents, non‐steroidal anti‐inflammatory drugs (fenoprofen, flurbiprofen, both as racemates) and phenolic acids (acetyl‐protected and unprotected ferulic acid, cinnamic acid) are incorporated as anionic ligands. The prepared platinum(IV) hybrids are loaded with great encapsulation efficiency into mesoporous SBA‐15 material to serve as drug delivery vehicle, and the obtained nanostructured material can ensure very slow drug release beneficial for prolonged circulation in vivo and passive targeting. Both, free and in SBA‐15 immobilized platinum(IV) complexes with oxaliplatin core, displayed potent antitumor activity in four breast cancer cell lines (MCF‐7, BT‐474, HCC1937 and MDA‐MB‐468), showing great prospect in overcoming oxaliplatin and cisplatin resistance. Mechanistic investigations in MDA‐MB‐468 cells of oxaliplatin and its fenoprofen derivative as the most active representative of the prepared complexes showed that the decreased cell viability resides in activation of apoptotic mechanisms.
Spontaneous Threshold Lowering Neuron using Second‐Order Diffusive Memristor for Self‐Adaptive Spatial Attention
Authors: Jiang Yang , Wang Dingchen , Lin Ning , Shi Shuhui , Zhang Yi , Wang Shaocong , Chen Xi , Chen Hegan , Lin Yinan , Loong Kam Chi , Chen Jia , Li Yida , Fang Renrui , Shang Dashan , Wang Qing , Yu Hongyu , Wang Zhongrui
Published: May 2023

Intrinsic plasticity of neurons, such as spontaneous threshold lowering (STL) to modulate neuronal excitability, is key to spatial attention of biological neural systems. In‐memory computing with emerging memristors is expected to solve the memory bottleneck of the von Neumann architecture commonly used in conventional digital computers and is deemed a promising solution to this bioinspired computing paradigm. Nonetheless, conventional memristors are incapable of implementing the STL plasticity of neurons due to their first‐order dynamics. Here, a second‐order memristor is experimentally demonstrated using yttria‐stabilized zirconia with Ag doping (YSZ:Ag) that exhibits STL functionality. The physical origin of the second‐order dynamics, i.e., the size evolution of Ag nanoclusters, is uncovered through transmission electron microscopy (TEM), which is leveraged to model the STL neuron. STL‐based spatial attention in a spiking convolutional neural network (SCNN) is demonstrated, improving the accuracy of a multiobject detection task from 70% (20%) to 90% (80%) for the object within (outside) the area receiving attention. This second‐order memristor with intrinsic STL dynamics paves the way for future machine intelligence, enabling high‐efficiency, compact footprint, and hardware‐encoded plasticity.
A Multifunctional Molecular Bridging Layer for High Efficiency, Hysteresis‐Free, and Stable Perovskite Solar Cells
Authors: Yin Li , Ding Changzeng , Liu Chenguang , Zhao Chun , Zha Wusong , Mitrovic Ivona Z. , Lim Eng Gee , Han Yunfei , Gao Xiaomei , Zhang Lianping , Wang Haibin , Li Yuanxi , Wilken Sebastian , Österbacka Ronald , Lin Hongzhen , Ma Chang‐Qi , Zhao Cezhou
Published: May 2023

At present, the dominating electron transport material (ETL) and hole transport material (HTL) used in the state‐of‐the‐art perovskite solar cells (PSCs) are tin oxide and 2,2′,7,7′‐tetrakis(N,N‐di‐p‐methoxyphenyl‐amine)‐9,9′‐spirobifluorene (Spiro‐OMeTAD). However, the surface hydroxyl groups of the SnO2 layer and the Li+ ions within the Spiro‐OMeTAD HTL layer generally cause surface charge recombination and Li+ migration, significantly reducing the devices' performance and stability. Here, a molecule bridging layer of 3,5‐bis(fluorosulfonyl)benzoic acid (FBA) is introduced onto the SnO2 surface, which provides appropriate surface energy, reduces interfacial traps, forms a better energy level alignment, and, most importantly, anchors (immobilizes) Li+ ions in the ETL, and consequently improves the device power conversion efficiency (PCE) up to 24.26% without hysteresis. Moreover, the device with the FBA passivation layer shows excellent moisture and operational stability, maintaining over 80% of the initial PCE after 1000 h under both aging conditions. The current work provides a comprehensive understanding of the influence of the extrinsic Li+ ion migration within the cell on the device's performance and stability, which helps design and fabricate high‐performance and hysteresis‐free PSCs.
Study on Method and Mechanism of Noble Metals Photoelectric Deposition by Directly Utilizing Solar Energy
Authors: Li Yuewen , Bu Degang , Wang Jiangxin , Hou Xing , Lin Chunkun , Ma Xu , Li Shuo , Zhang Yu , Ma Tianyi
Published: May 2023

The recovery of noble metals is crucial in terms of resource utilization and ecological environment. Herein, a green strategy for the recovery of three noble metals, Au, Ag, and Pt, by photoelectric deposition at the cathode without external voltage is described. The realizability and mechanism of noble metals deposition are investigated and analyzed in terms of the band structure and the reduction potential of metal ions using the special heterostructure ZnO/ZnS composites derived from metal–organic frameworks, as well as ZnO and Fe2O3 semiconductors. It is found that ZnO/ZnS has preferable photoelectrochemical performance than pure ZnO due to their effective electron–hole separation and appropriate band matching structure. To deposit metals Au, Ag, and Pt, the potential of electrons in the conduction band of ZnO/ZnS should be more negative than the reduction potential of these metals, allowing for the deposition of these metals while simultaneously undergoing an oxygen evolution reaction, mediated by the photogenerated holes on the surface of the photoanode, and the collection of conduction band electrons by the back electrode.
Liquid Superspreading on Surface with Microhexagonal Structure Inspired by Rock‐Climbing Fish
Authors: Tan Wenjun , Zhang Chuang , Wang Ruiqian , Zhang Yiwei , Yang Lianchao , Chen Qin , Wang Feifei , Tang Yezhong , Xi Ning , Liu Lianqing
Published: May 2023

The dynamic spreading mechanism of liquid on a specific surface is vital for understanding interface wetting and antifouling. Whereas, how to control the spreading process and accelerate the spreading speed is a major challenge. The rock‐climbing fish is characterized by its alepidote feature that lives in stream habitats dominated by strong currents. The mucus on its body surface plays a vital role in its adherence and maintenance of antifouling and antibacterial properties. However, the rapid, uniform, and efficient spreading mechanism of mucus on the fish body surface remains largely unknown. Herein, it is revealed that the surface of the rock‐climbing fish is overlaid fully by the microhexagonal texture structure. This hexagonal structure shows a superspreading effect on liquid diffusion, resulting from testing with bionic microfabrication inspired by the rock‐climbing fish. It is demonstrated that the microhexagonal‐textured surface can enhance liquid spreading quickly and evenly on the surface by regulating the moving contact line of the liquid. This kind of superspreading mechanism has great potential applications in the antifouling, electroencephalogram electrode interfaces, flexible skin sensors, and interfacial lubrication of underwater surfaces.
Reconfigurable Liquid‐Bodied Miniature Machines: Magnetic Control and Microrobotic Applications
Authors: Wang Qianqian , Xiang Nan , Lang Ji , Wang Ben , Jin Dongdong , Zhang Li
Published: May 2023

Soft miniature machines demonstrate multimodal actuation and morphology change capabilities in narrow spaces smaller than their dimension. The wirelessly controlled soft‐bodied features make them promising candidates for microrobotic manipulation and targeted operation in a noninvasive manner. Liquid‐bodied machine offers an ultrasoft body with extreme deformability owing to its fluid nature, enabling adaptive navigation with smooth contact with objects and environmental restrictions. Over the last decade of development, significant research progress has been achieved in wirelessly controlling liquid‐bodied machines for diverse manipulation applications. Herein, an overview of the recent research results in magnetic control methods and diverse microrobotic applications of liquid‐bodied machines is provided. Considering the control mechanisms and application challenges, ferrofluid‐based, liquid metal‐based, and liquid marble‐based machines are mainly discussed with a brief discussion on droplet‐based machines. The connection between control methods and applications is highlighted with a detailed analysis of machine–object and machine–environment interactions. The current challenges and research opportunities on liquid‐bodied miniature machines are outlined, aiming at designing intelligent liquid‐bodied machine‐based microrobotic systems and promoting the development of small‐scale robotics.
An n‐Type Conjugated Oligoelectrolyte Mimics Transmembrane Electron Transport Proteins for Enhanced Microbial Electrosynthesis
Authors: Quek Glenn , Vázquez Ricardo Javier , McCuskey Samantha R. , Lopez‐Garcia Fernando , Bazan Guillermo C.
Published: May 2023

Interfacing bacteria as biocatalysts with an electrode provides the basis for emerging bioelectrochemical systems that enable sustainable energy interconversion between electrical and chemical energy. Electron transfer rates at the abiotic‐biotic interface are, however, often limited by poor electrical contacts and the intrinsically insulating cell membranes. Herein, we report the first example of an n‐type redox‐active conjugated oligoelectrolyte, namely COE‐NDI, which spontaneously intercalates into cell membranes and mimics the function of endogenous transmembrane electron transport proteins. The incorporation of COE‐NDI into Shewanella oneidensis MR‐1 cells amplifies current uptake from the electrode by 4‐fold, resulting in the enhanced bio‐electroreduction of fumarate to succinate. Moreover, COE‐NDI can serve as a “protein prosthetic” to rescue current uptake in non‐electrogenic knockout mutants.
Tetrazole Linkages as Photoactivated Fuels for Light‐Regulated Photothermal/Photocatalytic Propulsion of Versatile Polymer Nanoplatforms
Authors: Jin Jingjun , Li Yun , Cao Dongsheng , Wang Shuai , Yan Xibo
Published: May 2023

Colloidal motors with multimode propulsion have attracted considerable attention because of enhanced transportability. It is a great challenge to fabricate colloidal motors powered by a single engine for multimode synergistic propulsion. Herein, we report on Janus versatile polymer nanoplatforms integrating various functionalities via tetrazole linkages for light‐regulated multimode synergistic propulsion in the liquid. The presence of tetrazole linkages in the polymers endows the nanoparticles with various photoresponsive capabilities. A sole energy source (ultraviolet or visible light) simultaneously activates photocatalytic N2 release and photothermal conversion within the tetrazole‐containing polymer phase at one side of asymmetric nanoparticles for converting light energy into photothermal/photocatalytic propulsion independent of the surrounding chemical medium. The photoactivated locomotion using tetrazoles as light‐triggered fuels highly corresponds to light wavelengths, light powers and tetrazole contents. The tetrazole linkages capable of incorporating various functionalities to the polymer nanoparticles allow on‐demand customizing of the colloidal motors, showing great potential in bio‐applications.
Au(III) complexes of symmetrical tetradentate Schiff base ligands: Synthesis, characterization, anticancer/antioxidant potency, in silico prediction, and catalase binding properties
Authors: Oveisi Keikha Alireza , Shahraki Somaye , Mansouri‐Torshizi Hassan , Dehghanian Effat , Heidari Majd Mostafa
Published: May 2023

Two new gold(III) complexes, [AuL1]Cl3, A, and [AuL2]Cl3, B, were synthesized and characterized. DFT calculations showed square planar geometry for both complexes. Antioxidant results showed that the ability of compounds to inhibit DPPH• is as follows: A > B > L2 > L1. The anticancer assay showed that both complexes have the ability to inhibit the growth of HCT116 colon cancer cell lines, but B shows a relatively better effect than cisplatin. The interaction effects of A and B on the activity and structure of the bovine liver catalase (BLC) were investigated by spectroscopic techniques and molecular docking. Both complexes were able to change the performance and structure of BLC; B has a greater effect on BLC activity, so at concentration of 2 μM, A and B inhibit initial BLC activity by 92.2% and 55.6%, respectively. The interaction mechanism of A and B with BLC was also different; A interacted mostly with van der Waals interactions and hydrogen bonds, but the most important forces for B was hydrophobic interactions. According to docking results, both complexes prefer the domain III of BLC, but B has higher affinity toward BLC than A, which supports the results of spectroscopic and FMO analysis.
Distributed control of target cooperative encirclement and tracking using range‐based measurements
Authors: Jia Jiangbo , Chen Xin , Wang Weizhen , Zhang Min
Published: May 2023

This paper investigates a distributed coordinate‐free control method of ground target cooperative encirclement and tracking for an unmanned aerial vehicle (UAV) formation. Different from the existing methods, the relevant information for the circumnavigation can be measured by the UAV sensors rather than directly from the tracked target. Based on these distance measurements, a multi‐UAV encirclement guidance law that satisfies both target coordination and tracking is designed. According to the proposed lemma of interconnected system, the formation system under the guidance law is globally uniformly asymptotically stable. The effectiveness and advantages of the proposed controller are validated via simulations.
Neonatal diagnosis of circumferential skin creases
Authors: Cauzzo Chiara , Chiavaroli Valentina , Palka Bayard de Volo Chiara , Petrucci Altea , Topazio Teresa , Di Donato Giulia , Fiorentino Riccardo , Chiarelli Francesco , Di Valerio Susanna
Published: May 2023

Background

Circumferential skin creases is a rare and heterogeneous disorder characterized by multiple and redundant skin folds, which can present as an isolated feature or in association with other phenotypic anomalies. Here, we report the case of a newborn who immediately captured our attention because of his phenotype.

Case

A male Caucasian infant was born at 39 weeks and 4 days of gestational age with an instrumental delivery, after a pregnancy characterized by threat of preterm birth at 32 weeks. Fetal ultrasounds were reported to be normal. The patient was the first child of non‐consanguineous parents. Anthropometry at birth: weight 3.590 kg (0.57 SDS); length 53 cm (1.73 SDS); cranial circumference 35.5 cm (0.83 SDS). Clinical examination soon after birth revealed multiple, asymmetric and deep skin folds involving forearms, legs and lower eyelids (right > left). These folds seemed not to cause any physical discomfort. In addition, hypertrichosis, micrognathia, low‐set ears and a thin, down‐turned border of upper lip were observed. Cardio‐respiratory, abdominal and neurological examination was unremarkable. There was no family history of similar appearance or other physical abnormalities. Given the clinical picture, an array‐CGH was performed, which was normal. A genetic counseling was requested and Circumferential Skin Creases disorder was diagnosed based on the typical cutaneous involvement and, given the absence of other clinical signs, it was supposed a benign evolution, with skin folds tending to disappear over time. In addition, the baby's DNA was requested for a targeted genetic analysis, which resulted negative.

Conclusions

This clinical case underlines the need of performing a detailed neonatal physical examination in order to realize a timely diagnostic approach. Our patient presented with multiple skin folds, facial dysmorphism but normal systemic and neurological examination. Anyways, since Circumferential Skin Creases may be associated with later neurological symptoms, a regular reevaluation is recommended.
Temporal complexity measure of reaction time series: Operational versus event time
Authors: Mahmoodi Korosh , Kerick Scott E. , Grigolini Paolo , Franaszczuk Piotr J. , West Bruce J.
Published: May 2023

Introduction

Detrended fluctuation analysis (DFA) is a well‐established method to evaluate scaling indices of time series, which categorize the dynamics of complex systems. In the literature, DFA has been used to study the fluctuations of reaction time Y(n) time series, where n is the trial number.

Methods

Herein we propose treating each reaction time as a duration time that changes the representation from operational (trial number) time n to event (temporal) time t, or X(t). The DFA algorithm was then applied to the X(t) time series to evaluate scaling indices. The dataset analyzed is based on a Go–NoGo shooting task that was performed by 30 participants under low and high time‐stress conditions in each of six repeated sessions over a 3‐week period.

Results

This new perspective leads to quantitatively better results in (1) differentiating scaling indices between low versus high time‐stress conditions and (2) predicting task performance outcomes.

Conclusion

We show that by changing from operational time to event time, the DFA allows discrimination of time‐stress conditions and predicts performance outcomes.
Carbon disclosure policy, external financing needs and the cost of capital: Does financial market quality matter?
Authors: Rehman Atiqa , Gonenc Halit , Hermes Niels
Published: May 2023

We investigate whether the quality of financial markets matters for the relationship between net external financing, voluntary carbon disclosure and firms' cost of capital. External financing needs may create incentives for firms to engage in environmental strategies, such as disclosing their carbon emissions in response to demands from stakeholders. In countries with low financial market quality, firms may build a reputation when complying with stakeholders' demands. In these countries, firms disclosing carbon emissions and with high external financing needs may be rewarded with a lower cost of capital. Using an international sample of 24,253 firm‐year observations from 35 countries, we show that the higher firms' net external financing in the previous year, the more likely they are to disclose their carbon emissions in the current year. Moreover, the positive association between the likelihood of carbon disclosure and net external financing needs is stronger in countries with low financial market quality. We further show that disclosing firms with high external financing needs have a lower cost of capital as compared to disclosing firms with low external financing needs. This evidence also differs between countries with high versus low financial market quality.
The impact of sustainability‐oriented dynamic capabilities on firm growth: Investigating the green supply chain management and green political capabilities
Authors: Yi Yali , Demirel Pelin
Published: May 2023

Building on the dynamic capabilities literature and natural‐resource‐based view, the paper examines whether firms can attain sales growth through a range of sustainability‐oriented dynamic capabilities including (1) internal green supply chain management capabilities, (2) external green supply chain management capabilities and (3) green political capabilities. Based on a dataset of 277 public US firms between 2010 and 2020, a panel quantile model of firm growth showcases that while internal green supply chain capabilities and green political capabilities affect firms' growth performance positively, external green supply chain capabilities are associated with slower growth. Importantly, the results indicate that the positive growth effects of green political capabilities are short‐lived, while those of internal green supply chain capabilities are long‐lived. The study contributes to the sustainability‐oriented dynamic capabilities literature by showing that different capabilities have different implications for firm growth depending on the firm's base performance and the time periods under consideration.
Computational Study of Single Metal Atom Anchored on Black Phosphorus for Methane Oxidation to Methanol by Nitrous Oxide
Authors: Jiang Wen‐qiang , Wang Hong‐juan , Su Yaqiong
Published: May 2023

Direct conversion of methane to high‐value‐added transportable methanol is a great challenge, which requires high energy input to break the strong C−H bond. Developing efficient catalysts for methane oxidation to methanol under mild conditions is of vital importance. In this work, single transition metal atoms (TM=Fe, Co, Ni, Cu) anchored on black phosphorus (TM@BP) were studied as catalysts to assist the methane oxidation to methanol by means of first‐principles calculations. The results indicate that Cu@BP exhibits an outstanding catalytic activity through the radical reaction pathways and the formation of the Cu−O active site is rate‐determining with an energy barrier of 0.48 eV. Meanwhile, electronic structure calculations and dynamic simulations show that Cu@BP offers excellent thermal stability. Our calculations provide a new approach for the rational design of single atom catalysts for methane oxidation to methanol.
The First Cu(I)‐Peptoid Complex: Enabling Metal Ion Stability and Selectivity via Backbone Helicity
Authors: Behar Anastasia E. , Maayan Galia
Published: May 2023

Stabilization of Cu(I) is ubiquitous within native copper proteins. Understanding how to stabilize Cu(I) within synthetic biomimetic systems is therefore desired towards biological applications. Peptoids are an important class of peptodomimetics, that can bind metal ions and stabilize them in their high oxidation state. Thus, to date, they were not used for Cu(I) binding. Here we show how the helical peptoid hexamer, having two 2,2’‐bipyridine (Bipy) groups that face the same side of the helix, forms the intramolecular air stable Cu(I) complex. Further study of the binding site by rigorous spectroscopic techniques suggests that Cu(I) is tetracoordinated, binding to only three N atoms from the Bipy ligands and to the N‐terminus of the peptoid's backbone. A set of control peptoids and experiments indicates that the Cu(I) stability and selectivity are dictated by the intramolecular binding, forced by the helicity of the peptoid, which can be defined as the second coordination sphere of the metal center.
Direction Switching and Self‐Recovering Mechanochromic Luminescence of Anthracene‐Modified o‐Carboranes
Authors: Yuhara Kazuhiro , Tanaka Kazuo
Published: May 2023

Luminochromic behaviors regarding mechanochromic luminescence (MCL) of o‐carborane‐modified anthracene derivatives are reported. We have previously synthesized bis‐o‐carborane‐substituted anthracene and found that its crystal polymorphs show dual‐emission properties composed of excimer and charge transfer (CT) emission bands in the solid state. Initially, we observed the bathochromic MCL behavior from 1 a originating from emission mechanism alteration from dual emission to CT emission. By inserting the ethynylene spacers between anthracene and o‐carboranes, compound 2 was obtained. Interestingly, 2 showed hypsochromic MCL originating from the emission mechanism alteration from CT to excimer emission. Furthermore, luminescent color of ground 1 a can be recovered to the initial state by allowing to stand at room temperature, meaning that self‐recovery proceeds. Detailed analyses are described in this study.
A Novel Nitridoborate Hydride Sr13[BN2]6H8 Elucidated from X‐ray and Neutron Diffraction Data
Authors: Wandelt Sophia L. , Mutschke Alexander , Khalyavin Dmitry , Steinadler Jennifer , Schnick Wolfgang
Published: May 2023

Metal hydrides are an uprising compound class bringing up various functional materials. Due to the low X‐ray scattering power of hydrogen, neutron diffraction is often crucial to fully disclose the structural characteristics thereof. We herein present the second strontium nitridoborate hydride known so far, Sr13[BN2]6H8, formed in a solid‐state reaction of the binary nitrides and strontium hydride at 950 °C. The crystal structure was elucidated based on single‐crystal X‐ray and neutron powder diffraction in the hexagonal space group P63/m (no. 176), exhibiting a novel three‐dimensional network of [BN2]3− units and hydride anions connected by strontium cations. Further analyses with magic angle spinning (MAS) NMR and vibrational spectroscopy corroborate the presence of anionic hydrogen within the structure. Quantum chemical calculations reveal the electronic properties and support the experimental outcome. Sr13[BN2]6H8 expands the emerging family of nitridoborate hydrides, broadening the access to an open field of new, intriguing materials.
Creating Defects in the Active Site of Fe−N−C Catalyst Promotes Catalytic Performance for Oxygen Reduction Reaction
Authors: Yang Kun‐Zu , Xu Chao , Guo Peng‐Peng , Lu Chen , Xu Ying , Chi Hua‐Min , Wei Ping‐Jie , Liu Jin‐Gang
Published: May 2023

Developing efficient non‐precious metal electrocatalysts to replace Pt‐based noble metal catalysts for oxygen reduction reaction (ORR) in energy conversion devices is highly desirable. Atomically dispersed Fe−N−C catalysts are the most promising alternatives of Pt for ORR; however, enhancing their intrinsic activity via active site modulation is still a challenge. Using an iron porphyrin‐functionalized MOFs as the precursor, we prepared a defects‐rich Fe−N−C catalyst and modulated its intrinsic activity by creating defects near the Fe−Nxsites through decarboxylation reaction. Due to the synergistic effect of the improved porous structure and created defects, the prepared Defects‐FeNC exhibited excellent performance for ORR with half‐wave potential of 0.895 Vvs. RHE in alkaline media. The Defects‐FeNC loaded Zn‐Air battery delivered much higher open circuit potential (OCP=1.463 V) and maximum power density (Pmax=151 mW cm−2) than the commercial 20 wt.% Pt/C (OCP=1.441 V;Pmax=119 mW cm−2) under similar experimental conditions. Defects in the catalyst could modulate the electronic structure of the Fe−Nx−C center that further promoted the catalyst catalytic activity for ORR. This work provides a facile active‐sites‐engineering approach for boosting the Fe−N−C catalyst ORR performance, which shows promising implications in energy conversion devices.
Nanoscale Surface Functionalization Based on Heterogeneous Self‐Assembled Monolayers for Molecular‐Scale Electronics
Authors: Khalid Hira , Tian Lixian , Yu Xi , Hussain Irshad , Hu Wenping
Published: May 2023

Mixed self‐assembled monolayers (mixed SAMs)‐based molecular‐scale electronic devices in recent years have gained great achievement in the fundamental study on charge transport mechanism and electronic functionalities. This review aims to summarize the preparation and characterization, structure modulation, and applications of heterogeneous mixed SAMs in molecular electronics. One key advantage of SAM‐based molecular devices compared to single molecular devices is the ability to tune the intermolecular interactions, and two‐dimensional (2‐D) assembly structure allows for the optimization of charge transport in desired devices. Herein we review the qualitative and quantitative examination of the nanoscale organization and intermolecular interactions of mixed SAMs obtained by various mixed SAM preparation and characterization techniques. The use of mixed SAMs to control the structural order and compactness of SAM to form high‐performance molecular electronic devices is also reviewed. Finally, we wrap up the review by discussing the challenges of this technique for the development of novel electronic functional devices in the future.
Continuous‐/Micro‐Flow Reactions Using Highly Electrophilic PCl3 and POCl3
Authors: Kitamura Hiroshi , Fuse Shinichiro
Published: May 2023

PCl3 and POCl3 are the most important sources of phosphorus‐containing compounds. They are also used for large‐scale industrial productions. However, chemical reactions using the highly reactive PCl3 and POCl3 tend to result in overreactions. In addition, the reactions are usually exothermic and therefore their utilization sometimes involves significant risk. That is why some phosphorylating reagents with mild electrophilicity such as phosphoramidites have been developed. Although these mild electrophiles are very useful for the highly selective synthesis of organophosphorus compounds, problems persist: the high cost of the reagents, the generation of large amounts of waste, and the requirement of long reaction times and high temperatures. Continuous‐flow technology is one of the most promising solutions for these problems. In particular, precise control of reaction times and temperatures enabled by micro‐flow technology suppresses undesired reactions and allows the safe operation of exothermic reactions using highly reactive PCl3 and POCl3. This Review describes recently reported reactions of PCl3 and POCl3 using continuous‐ and micro‐flow technologies.
An Introductory Tutorial on Cardiovascular Pharmacogenetics for Healthcare Providers
Authors: Oni‐Orisan Akinyemi , Tuteja Sony , Hoffecker Glenda , Smith D. Max , Castrichini Matteo , Crews Kristine R. , Murphy William A. , Nguyen Nam H. K. , Huang Yimei , Lteif Christelle , Friede Kevin A. , Tantisira Kelan , Aminkeng Folefac , Voora Deepak , Cavallari Larisa H. , Whirl‐Carrillo Michelle , Duarte Julio D. , Luzum Jasmine A. ,   the Pharmacogenomics Global Research Network (PGRN) Publications Committee
Published: May 2023

Pharmacogenetics can improve clinical outcomes by reducing adverse drug effects and enhancing therapeutic efficacy for commonly used drugs that treat a wide range of cardiovascular diseases. One of the major barriers to the clinical implementation of cardiovascular pharmacogenetics is limited education on this field for current healthcare providers and students. The abundance of pharmacogenetic literature underscores its promise, but it can also be challenging to learn such a wealth of information. Moreover, current clinical recommendations for cardiovascular pharmacogenetics can be confusing because they are outdated, incomplete, or inconsistent. A myriad of misconceptions about the promise and feasibility of cardiovascular pharmacogenetics among healthcare providers also has halted clinical implementation. Therefore, the main goal of this tutorial is to provide introductory education on the use of cardiovascular pharmacogenetics in clinical practice. The target audience is any healthcare provider (or student) with patients that use or have indications for cardiovascular drugs. This tutorial is organized into the following 6 steps: (1) understand basic concepts in pharmacogenetics; (2) gain foundational knowledge of cardiovascular pharmacogenetics; (3) learn the different organizations that release cardiovascular pharmacogenetic guidelines and recommendations; (4) know the current cardiovascular drugs/drug classes to focus on clinically and the supporting evidence; (5) discuss an example patient case of cardiovascular pharmacogenetics; and (6) develop an appreciation for emerging areas in cardiovascular pharmacogenetics. Ultimately, improved education among healthcare providers on cardiovascular pharmacogenetics will lead to a greater understanding for its potential in improving outcomes for a leading cause of morbidity and mortality.
An approach on nonlinear integration of MMC to linear model of ROPS in transient analysis
Authors: Shivashanker K. , Janaki M.
Published: May 2023

The modular multilevel converter (MMC) is a novel prospective multilevel converter topology for high‐voltage or high‐power applications. This paper presents the 3‐ model integrated into a linear model in transient analysis and the design of current controller for MMC. This paper analyzes the control interactions of MMC on nearby turbine generator. The eigenvalue analysis is used to evaluate the impact of different controller modes of MMC. The impact of converter control with nonlinear switches is analyzed through the transient simulation. The eigenvalue analysis and controller design are carried out on a linear model, and the transient simulation analysis is performed on both the D‐Q model and a three‐phase model of MMC using MATLAB‐Simulink. The results show that the transient simulation of three‐phase model on the proposed approach is consistent with the transient simulation of D‐Q model. Also, the transient simulation results show a satisfactory response with the current controller parameters of the MMC at various operating cases. To validate the results of MATLAB‐Simulink model, the proposed system is implemented in hardware‐in‐the‐loop (HIL) simulation with an integrated subsystem built in two real‐time simulators. The subsystem of mathematical model is implemented in dSPACE, and the subsystem of 3‐ MMC with controller is implemented in Typhoon. The HIL simulation results show a satisfactory response and consistent with MATLAB‐Simulink model results.
Convolutional neural network and unmanned aerial vehicle‐based public safety framework for human life protection
Authors: Patel Nihar , Vasani Nakul , Gupta Rajesh , Kumar Jadav Nilesh , Tanwar Sudeep , Alqahtani Fayez , Tolba Amr , Simona Raboaca Maria
Published: May 2023

In this paper, we developed an object detection and identification framework to bolster public safety. Before developing the proposed framework, several existing frameworks were analyzed to bolster public safety. The other models were carefully observed for their strengths and weaknesses based on the machine learning and deep learning algorithms they operate on. All these were kept in mind during the development of the proposed model. The proposed framework consists of an unmanned aerial vehicle (UAV) utilized for data collection that constantly monitors and captures the images of the designated areas. A convolutional neural network (CNN) model is developed to recognize a threat and identifies various handheld objects, such as guns and knives, which facilitate criminals to commit crimes. The proposed CNN model comprises 16 layers with input, convolutional, dense, max‐pool, and flattened layers of different dimensions. For that, a benchmarked dataset, that is, small objects handled similarly to a weapon (SOHAs), a weapon detection dataset is used. It comprises six classes of 8945 images, with 5947 used for training, 1699 used for testing, and 849 used for validation. Once the CNN model accomplishes the object identification and classification, that is, the person is criminal or non‐criminal, the criminal is forwarded to various law enforcement agencies and non‐criminal data are again forwarded to the CNN model for improvising its accuracy rate. As a result, the proposed CNN model outperforms several pre‐trained models with an accuracy of 0.8352 and a validation accuracy of 0.7758. In addition, the proposed model gives a minimal loss of 0.83 with a validation loss of 0.97. The proposed framework decreases the burden on crime‐fighting agencies and increases the accuracy of crime detection. Additionally, it ensures fairness and operates at a meager computational cost compared to similar pre‐trained models.
Dark roads aid movement but increase mortality of a generalist herbivore in the American Southwest
Authors: Frank Kaitlyn M. , Ditmer Mark A. , Stoner David C. , Currie William S. , Olson Daniel D. , Carter Neil H.
Published: May 2023

Road networks pose many well‐documented threats to wildlife, from fragmenting habitats and restricting movement to causing mortality through vehicle collisions. For large, wide‐ranging mammals, home range requirements and seasonal migrations often necessitate road crossings, posing threats to human safety, property, and animal survival. Artificial nightlight, emanating from light posts and urban sky glow, is ubiquitous on and around road networks worldwide; however, its effects on road crossing behavior and the associated mortality risk for wildlife are not well understood. By integrating the latest NASA nightlight products with GPS collar data collected from 67 mule deer (Odocoileus hemionus) over a 7‐year period (2012–2018), we used a resource‐selection framework to assess factors influencing seasonal crossing behavior and road mortality in Salt Lake City, Utah, an expanding metropolitan area in the United States. We found deer preferred to cross the road where surrounding artificial nightlight was lower in both summer and winter seasons, especially during crepuscular and nighttime periods. However, lower nightlight levels also increased the risk of road mortality. Areas with more shrub cover and lower speed limits increased the likelihood of crossing as well as lowered the risk of road mortality. There were five times as many mortality events in winter as in summer, likely because of the combination of deer preference for dark roads mixed with proximity to both higher speed roads and increased human activity. Better understanding how a pervasive and expanding environmental pollutant like artificial nightlight may attract or repel human‐tolerant wildlife species from roadways presents an opportunity to mitigate collision risk while improving population management strategies for this abundant, generalist herbivore and many other economically and ecologically important species.