bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prediction and Design of Nanozymes using Explainable Machine Learning
Authors: Wei Yonghua , Wu Jin , Wu Yixuan , Liu Hongjiang , Meng Fanqiang , Liu Qiqi , Midgley Adam C. , Zhang Xiangyun , Qi Tianyi , Kang Helong , Chen Rui , Kong Deling , Zhuang Jie , Yan Xiyun , Huang Xinglu 
Published: April 2022

AbstractAn abundant number of nanomaterials have been discovered to possess enzyme‐like catalytic activity, termed nanozymes. It is identified that a variety of internal and external factors influence the catalytic activity of nanozymes. However, there is a lack of essential methodologies to uncover the hidden mechanisms between nanozyme features and enzyme‐like activity. Here, a data‐driven approach is demonstrated that utilizes machine‐learning algorithms to understand particle–property relationships, allowing for classification and quantitative predictions of enzyme‐like activity exhibited by nanozymes. High consistency between predicted outputs and the observations is confirmed by accuracy (90.6%) andR2(up to 0.80). Furthermore, sensitive analysis of the models reveals the central roles of transition metals in determining nanozyme activity. As an example, the models are successfully applied to predict or design desirable nanozymes by uncovering the hidden relationship between different periods of transition metals and their enzyme‐like performance. This study offers a promising strategy to develop nanozymes with desirable catalytic activity and demonstrates the potential of machine learning within the field of material science.
A Self‐Assembled 3D Penetrating Nanonetwork for High‐Performance Intrinsically Stretchable Polymer Light‐Emitting Diodes
Authors: Liu Yanwei , Zhu Mingliang , Sun Jianzhe , Shi Wenkang , Zhao Zhiyuan , Wei Xiaofang , Huang Xin , Guo Yunlong , Liu Yunqi 
Published: April 2022

AbstractThe emergence of wearable technology can significantly benefit from electronic displays fabricated using intrinsically stretchable (is‐) materials. Typically, an improvement in the stretchability of conventional light‐emitting polymers is accompanied by a decrease in charge transportability, thus resulting in a significant decrease in device efficiency. In this study, a self‐assembled 3D penetrating nanonetwork is developed to achieve increased stretchability and mobility simultaneously, based on high‐molecular‐weight phenylenevinylene (L‐SY‐PPV) and polyacrylonitrile (PAN). The mobility of L‐SY‐PPV/PAN increases by 5–6 times and the stretchability increases from 20% (pristine L‐SY‐PPV film) to 100%. A high current efficiency (CE) of 8.13 cd A−1 is observed in polymer light‐emitting diodes (PLEDs) fabricated using 40% stretched L‐SY‐PPV/PAN. Furthermore, using a polyethyleneimine ethoxylated (PEIE), an 1,10‐phenanthroline monohydrate (pBphen), and a reduced Triton X‐100 (TR) chelated Zn‐based is‐ electron‐injection layer of Zn‐PEIE‐pBphen‐TR, an is‐PLED is realized with a turn‐on voltage of 6.5 V and a high CE of 2.35 cd A−1. These results demonstrate the effectiveness of using the self‐assembled 3D penetrating nanonetwork for the fabrication of is‐PLEDs.
Engineering DNA‐Guided Hydroxyapatite Bulk Materials with High Stiffness and Outstanding Antimicrobial Ability for Dental Inlay Applications
Authors: Zhou Yusai , Deng Jingjing , Zhang Yi , Li Cong , Wei Zheng , Shen Jianlei , Li Jingjing , Wang Fan , Han Bing , Chen Dong , Fan Chunhai , Zhang Hongjie , Liu Kai , Wei Yan 
Published: April 2022

AbstractProgrammable base pair interactions at the nanoscale make DNA an attractive scaffold for forming hydroxyapatite (HAP) nanostructures. However, engineering macroscale HAP mineralization guided by DNA molecules remains challenging. To overcome this issue, a facile strategy is developed for the fabrication of ultrastiff DNA–HAP bulk composites. The electrostatic complexation of DNA and a surfactant with a quaternary ammonium salt group enables the formation of long‐range ordered scaffolds using electrospinning. The growth of 1D and 2D HAP minerals is thus realized by this DNA template at a macroscale. Remarkably, the as‐prepared DNA–HAP composites exhibit an ultrahigh Young's modulus of ≈25 GPa, which is comparable to natural HAP and superior to most artificial mineralized composites. Furthermore, a new type of dental inlay with outstanding antibacterial properties is developed using the stiff DNA–HAP. The encapsulated quaternary ammonium group within the dense HAP endows the composite with long‐lasting and local antibacterial activity. Therefore, this new type of super‐stiff biomaterial holds great potential for oral prosthetic applications.
Stability and Efficiency Enhancement of Perovskite Solar Cells Using Phenyltriethylammonium Iodide
Authors: Palei Srikanta , Kim Hyungwoo , Seo Ji Hoon , Singh Devendra , Seo Kwanyong 
Published: April 2022

AbstractControlling the perovskite film surface is key to improving both the stability and photovoltaic performance of perovskite solar cells. In particular, surface defects on the perovskite films, which are fundamental issues, must be passivated. This work presents a 2D organic material phenyltriethylammonium iodide (PTEAI) to passivate a 3D (FAPbI3)1−x(MAPbBr3)x perovskite film surface. PTEAI forms a well‐matched conformal layer on the perovskite film, protecting the film surface from moisture by preventing the escape of organic ions from the film. The N+ cations and I− anions in PTEAI form bonds with the locally charged perovskite surface, reducing the surface defect density as well as the impeding non‐radiative recombination while enhancing carrier lifetimes. These PTEAI features facilitate significant enhancements in both the open‐circuit voltage (VOC) and fill factor (FF) of the perovskite solar cells. As a result, the champion PTEAI‐based perovskite solar cell exhibits the highest power conversion efficiency of 20.2% compared with 18.8% by the pristine device. Additionally, the PTEAI‐treated device retains 92% of its initial efficiency after being stored in ambient air at room temperature and a relative humidity of 40–60% for 500 h without encapsulation.
Design of a DNA‐Based Double Network Hydrogel for Electronic Skin Applications
Authors: Tang Li , Wu Shaoji , Xu Yue , Li Youwei , Dai Bailin , Yang Caixia , Liu Aifeng , Tang Jianxin , Gong Liang 
Published: April 2022

AbstractElectronic skin (e‐skin) is widely studied for its ability to detect physiological information and provide feedback through electrical signals. Biocompatible stimulus‐responsive DNA‐based hydrogels exhibit high sensitivity, which makes them outstanding candidates for biomedical applications. However, several disadvantages, such as weak mechanical properties, expensive manufacturing costs, cumbersome double chain design, and difficulty obtaining bulk size, seriously limit their practical application. Based on the double network (DN) strategy, a universal, low‐cost, and high‐toughness deoxyribonucleic acid/poly(N‐hydroxyethyl acrylamide) (DNA/pHEAA) DN hydrogel is designed. The transparent hydrogel shows tensile stress/strain of 0.96 ± 0.043 MPa/2537.55 ± 23.24%, rapid self‐recovery ability (peak stress/energy dissipation recovery rate of 99.72%/95.38% after 30 s resting), excellent fatigue resistance (peak stress/energy dissipation retention rate of 91.08%/81.05% after 100 loading‐unloading cycles with strain of 50%), reversible adhesive ability (≈45 KPa), and good biocompatibility. Thus, the DNA/pHEAA DN hydrogel can be used as an e‐skin. Sensing signals are displayed on a smartphone as images sent through wireless technology; the images change with the collected signals, achieving motion detection. The universal and low‐cost design of stimulus‐responsive DNA‐based hydrogels with high toughness, excellent self‐recovery, and anti‐fatigue performance is expected to promote their application in the biomedical field.
One‐Step Soft Templated Selective Milling‐Based Circuit Patterning for Eco‐Friendly and High‐Throughput Manufacturing of Flexible Electronics
Authors: Huang Bingkang , Chai Zhiping , Zhu Jiaqi , Wu Zhigang 
Published: April 2022

AbstractOver the past decades, the booming development of flexible electronics in various fields, e.g., Internet of Things and epidermal electronics, requires the support of a reliable manufacturing approach, where circuit patterning is the core. Although the existing circuit patterning methods represented by photochemical etching and direct printing process have shown good performance, they still cannot satisfy today's demands on environmental friendliness and cost‐efficiency concurrently. Here, by regulating the milling force distribution on the flexible workpiece with a grooved soft template, this work presents a milling‐based patterning technique that is compatible with roll‐to‐roll technology, to achieve continuous selective removal of conductive material in one step and hence directly pattern electrical circuits on aluminum clad laminates. Without introducing any chemicals, this new approach generates no emission but recyclable aluminum scraps. Moreover, the process shows a considerable processing speed of 30 m min−1, and costs only commercial aluminum clad laminates. Examples of device fabrication include a radio frequency identification tag and a temperature sensor. Ultimately, this work can bring an eco‐friendly, economic and high‐throughput approach to flexible electronics manufacturing.
Nanogenerators‐Based Self‐Powered Sensors
Authors: Mondal Rajib , Hasan Md Al Mahadi , Zhang Renyun , Olin Håkan , Yang Ya 
Published: April 2022

AbstractWith the rapid technological development, self‐powered sensor systems that are capable of operating without an external power supply are becoming more and more crucial in the field of sensing and detection. One of the major drawbacks of a typical sensor is the necessity of an external power supply or batteries, which makes sensor systems more complex and less handy for mobile devices. In the last decade's improvement of triboelectric, piezoelectric, pyroelectric, and thermoelectric nanogenerators and their performance in electrical output and mechanical stability, it becomes widely used in the field of self‐power sensing systems for healthcare, mechanical and environmental applications. Here in this review, the various types of nanogenerators working principles is first discussed, the output performance is analyzed, and then their recent progress in the application of self‐powered sensor systems, including biomedical and healthcare, wearable devices, physical applications, robotics, environmental monitoring, and smart cities, is highlighted. Except for the practical application of self‐powered sensors, a future outlook of the self‐powered sensor systems is prognosticated.
Low‐Powered E‐Switching Block Copolymer Structural Color Display with Organohydrogel Humidity Controller
Authors: Lee Chang Eun , Park Tae Hyun , Mun Seungsoo , Jung Youngdoo , Lee Seokyeong , Jang Jihye , Ryu Du Yeol , Park Cheolmin 
Published: April 2022

AbstractSoft‐solid photonic crystals (PCs) based on periodically ordered block copolymer (BCP) nanostructures demonstrate stimuli‐adaptive structural colors (SCs) and desirable mechanical properties suitable for reflective‐mode electric‐switching (E‐switching) displays. However, the low electrochemical stability and humidity‐dependent E‐switching performance of hygroscopic ionic salts, often employed for E‐field‐adaptive structural alteration, limit their applications. In this study, a low‐powered capacitive E‐switching BCP SC display with an organohydrogel (OH) humidity controller is proposed, where a bilayer of a BCP and a polymer blend with hygroscopic E‐field‐adaptive ionic salts is sandwiched between Au electrodes. The display reliably exhibits reversible full‐color E‐switching (100 on/off cycles) at operating voltages of +2.5 to −2 V within the ionic salts’ electrochemical window at ≈50% humidity. A patchable and reusable OH serves as a water reservoir (with optimized geometries and dimensions) to improve the display's humidity tolerance, providing a target humidity (≈50%). The proposed display performs at ambient humidity lower than 60% for over 10 days because of the long water retention and mechanical integrity properties of OH. Additionally, the topologically micropatterned BCP PC allows lateral diffusion of ionic salts through the sides of the patterned domain under E‐field, facilitating E‐switching speeds of ≈30 s.
Altering the Reflection Phase for Nano‐Polaritons: A Case Study of Hyperbolic Surface Polaritons in Hexagonal Boron Nitride
Authors: Chen Mingyuan , Sanders Stephen , Shen Jialiang , Li Jiahan , Harris Eli , Chen Cheng‐Chien , Ma Qiong , H. Edgar James , Manjavacas Alejandro , Dai Siyuan 
Published: April 2022

AbstractPolaritons—confined light–matter waves—in van der Waals (vdW) materials are a research frontier in light–matter interactions with demonstrated advances in nanophotonics. Reflection, as a fundamental phenomenon involving waves, is particularly important for vdW polaritons, predominantly because it enables the investigation of polariton standing waves using the scanning probe technique. While previous works demonstrate a rigid phase ≈π/4 for the polariton reflection, herein is reported the altering of the polariton reflection phase by varying the geometry of polaritonic microstructures for the case study of hyperbolic surface polaritons (HSPs) in hexagonal boron nitride (hBN). Specifically, it is demonstrated that the polariton reflection phase can be systematically altered by varying the corner angle of the hBN microstructures, and that it experiences a π jump around a specific angle. This behavior, which is a consequence of the mathematical nature of the reflection coefficient, is therefore expected in other physical phenomena.
Electronic and Magnetic Properties of The Graphene/RE/Ni(111) (RE: La, Yb) Intercalation‐Like Interfaces: A DFT Analysis
Authors: Guo Qilin , Ovcharenko Roman , Paulus Beate , Dedkov Yuriy , Voloshina Elena 
Published: April 2022

AbstractThe effect of the rare‐earth (RE) metals (La and Yb) intercalation on the electronic and magnetic properties of the graphene/Ni(111) interface is studied using state‐of‐the‐art density functional theory calculations. In both systems, the intercalation of RE leads to the dramatic decrease of the magnetic moments of the Ni‐interface atoms and to the negligible moments of C‐atoms in a graphene layer, compared to the parent graphene/Ni(111) system. At the same time, the significant ‐doping of graphene together with a band‐gap opening is observed in both cases of the RE intercalation with a position of the graphene Dirac point reaching eV. Also the large density of states is found in the vicinity of the Fermi level () along the direction for the graphene‐derived states which can be attributed to the joint effect of the intercalated RE and interface Ni atoms. These factors – increased density of states at and absence of magnetism of C‐atoms in a graphene layer – indicate the possibility of the observation of the superconductive state in graphene in the considered RE‐based systems, which is important for the understanding of these and other electronics effects in the graphene‐based systems.
Nurr1 Modulation Mediates Neuroprotective Effects of Statins
Authors: Willems Sabine , Marschner Julian A. , Kilu Whitney , Faudone Giuseppe , Busch Romy , Duensing‐Kropp Silke , Heering Jan , Merk Daniel 
Published: April 2022

AbstractThe ligand‐sensing transcription factor Nurr1 emerges as a promising therapeutic target for neurodegenerative pathologies but Nurr1 ligands for functional studies and therapeutic validation are lacking. Here pronounced Nurr1 modulation by statins for which clinically relevant neuroprotective effects are demonstrated, is reported. Several statins directly affect Nurr1 activity in cellular and cell‐free settings with low micromolar to sub‐micromolar potencies. Simvastatin as example exhibits anti‐inflammatory effects in astrocytes, which are abrogated by Nurr1 knockdown. Differential gene expression analysis in native and Nurr1‐silenced cells reveals strong proinflammatory effects of Nurr1 knockdown while simvastatin treatment induces several neuroprotective mechanisms via Nurr1 involving changes in inflammatory, metabolic and cell cycle gene expression. Further in vitro evaluation confirms reduced inflammatory response, improved glucose metabolism, and cell cycle inhibition of simvastatin‐treated neuronal cells. These findings suggest Nurr1 involvement in the well‐documented but mechanistically elusive neuroprotection by statins.
On the derivation of graphically inspired feasibility constraints for distillation network synthesis
Authors: Ryu Joonjae , Maravelias Christos T. 
Published: April 2022

AbstractWe propose the integration of simplified graphically inspired feasibility constraints into optimization‐based models for distillation network synthesis. The approach facilitates the use of surrogate, potentially data‐based, distillation column models while considering feasibility in a computationally efficient manner. The proposed approach can aid the formulation of efficient approaches for preliminary distillation network synthesis.
Biallelic variants in CENPF causing a phenotype distinct from Strømme syndrome
Authors: Cappuccio Gerarda , Brillante Simona , Tammaro Roberta , Pinelli Michele , De Bernardi Margherita Lucia , Gensini Maria Grazia , Bijlsma Emilia K. , Koopmann Tamara T. , Hoffer Mariette J. V. , McDonald Kimberly , Hendon Laura G. , Douzgou Sofia , Deshpande Charulata , D'Arrigo Stefano , Torella Annalaura , Nigro Vincenzo , Franco Brunella , Brunetti‐Pierri Nicola 
Published: April 2022

abstractBiallelic loss‐of‐function (LoF) variants in CENPF gene are responsible for Strømme syndrome, a condition presenting with intestinal atresia, anterior ocular chamber anomalies, and microcephaly. Through an international collaboration, four individuals (three males and one female) carrying CENPF biallelic variants, including two missense variants in homozygous state and four LoF variants, were identified by exome sequencing. All individuals had variable degree of developmental delay/intellectual disability and microcephaly (ranging from −2.9 SDS to −5.6 SDS) and a recognizable pattern of dysmorphic facial features including inverted‐V shaped interrupted eyebrows, epicanthal fold, depressed nasal bridge, and pointed chin. Although one of the cases had duodenal atresia, all four individuals did not have the combination of internal organ malformations of Strømme syndrome (intestinal atresia and anterior eye segment abnormalities). Immunofluorescence analysis on skin fibroblasts on one of the four cases with the antibody for ARL13B that decorates primary cilia revealed shorter primary cilia that are consistent with a ciliary defect. This case‐series of individuals with biallelic CENPF variants suggests the spectrum of clinical manifestations of the disorder that may be related to CENPF variants is broad and can include phenotypes lacking the cardinal features of Strømme syndrome.
A smart manufacturing strategy for multiparametric model predictive control in air separation systems
Authors: Kenefake Dustin , Pappas Iosif , Avraamidou Styliani , Beykal Burcu , Ganesh Hari S. , Cao Yanan , Wang Yajun , Otashu Joannah , Leyland Simon , Flores‐Cerrillo Jesus , Pistikopoulos Efstratios N. 
Published: April 2022

AbstractRecent trends in digitization and automation of information systems have led to the Industry 4.0 revolution in manufacturing systems. With the emergence of integrated “smart” systems that communicate through the cloud, collecting and manipulating the system data became a key yet, challenging component for developing optimal control strategies for these complex systems. In this work, we propose a strategy to address this problem with the case study on an air separation unit (ASU). Our approach involves developing an ASU's controllers via high‐fidelity modeling, studies in data‐driven reduced‐order models, and providing implementable control policies for the high‐fidelity model. Connecting the high‐fidelity model to a smart manufacturing platform allows integration into other smart manufacturing tools and applications. Since the high‐fidelity model is computationally challenging for online optimization tasks, such as model predictive control, surrogate models are generated that represent the high‐fidelity model's behavior. The derived reduced‐order models are then embedded into a model predictive control formulation for the optimal control of the whole process through multiparametric programming. A multiparametric approach based on solving a small portion of the multiparametric program is proposed to reduce the computational overhead. We then close the loop by deploying the developed controllers on the high‐fidelity model for tuning with prospects of employing them on the real industrial plant.
Graphdiyne: A New Carbon Allotrope for Electrochemiluminescence
Authors: Gao Nan , Zeng Hui , Wang Xiaofang , Zhang Yue , Zhang Shuai , Cui Ruwen , Zhang Meining , Mao Lanqun 
Published: April 2022

AbstractGraphdiyne (GDY), a well‐known 2D carbon allotrope, demonstrates increasing fantastic performance in various fields owing to its outstanding electronic properties. Owing to its unique properties, electrochemiluminescence (ECL) technology is one powerful tool for understanding fundamental questions and for ultrasensitive sensing and imaging. Here, we firstly find that GDY without any functionalization or treatment shows a strong ECL emission with potassium persulfate (K2S2O8) as coreactant, which is totally different with other carbon allotropes. Mechanistic study indicates that the ECL emission of GDY is generated by the surface state transition. Interestingly, ECL is generated at 705 nm in the near infrared region with an ECL efficiency of 424 % compared to that of Ru(bpy)3Cl2/K2S2O8. The study demonstrates a new character of GDY in ECL investigation and sets the stage for the development of GDY for emerging applications, including imaging and light‐emitting devices.
Understanding the physical and thermodynamic properties of monoethanolamine‐ionic liquids for solvent screening in CO2 capture process
Authors: Perumal Muthumari , Jayaraman Dhanalakshmi 
Published: April 2022

AbstractThe physical properties such as density, surface tension, and viscosity of monoethanolamine (MEA)‐ionic liquids (ILs) solvent mixtures were studied experimentally in this work. The ILs namely, tetrabutylammonium acetate TBAAc, tetrabutylammonium bromide TBABr, and tetrabutylammonium hydroxide TBAOH were used. All the above parameters were measured at atmospheric pressure and various temperatures from 283 to 313 K with a 10 K interval. From the measured experimental data, thermodynamic properties such as thermal expansion, excess molar volume, viscosity deviation, and excess Gibbs free energy were also calculated. The physical and thermodynamic properties are more important to understand the solvent behavior during solvent screening in solvent‐based CO2 capture process. The 30 wt% solvent mixture composition was prepared as 28, 25, and 20 wt% MEA mixed with 2, 5, and 10 wt% ILs. Furthermore, a single empirical model was developed from the measured experimental data and the results are correlated. A good agreement was obtained between correlated and experimental data.