bluuebunny/crossref_metadata_2025 huggingface dataset:
Pertopia: Speculative Thinking in a Short‐Term World
Authors: Karakiewicz Justyna
Published: January 2023

In the face of climate change and human equity, architects are still presenting pristine images of perfect urban plans stuck in the aspic of a bygone age that has precipitated the difficult global condition we find ourselves in. Here Justyna Karakiewicz – Professor of Architecture and Urban Design in the Faculty of Architecture, Building and Planning at the University of Melbourne – describes some of the conceptual and practical notions explored at her home university to ameliorate this.
An Urban Odyssey: City Beautiful to City Instagrammable
Authors: Oliveras Jordi
Published: January 2023

Professor at the Polytechnic University of Catalonia Jordi Oliveras describes the centuries‐long history of ‘beautifying the city’. He discusses how utopian ideas of urban form and placement or architectural design can quickly become dystopian by blindly following rules of classical symmetry or ideas of modernist fashion.
Arcological City: Going Underground
Authors: Burry Jane , Latifi Mehrnoush
Published: January 2023

It is clear that we must redesign our domestic and urban environment to mitigate our present climate problems. To that end, it is necessary to look at historic tactics of shelter and climate mitigation but equally plan for the deeper future. This might entail spending more time under ground. Mehrnoush Latifi is a lecturer, researcher and the course director of the Bachelor of Design (Architecture) at Swinburne University of Technology in Melbourne. She and Guest‐Editor Jane Burry here explore the potential of life below the earth's surface.
The City of Frictionless Mobility
Authors: Woodcock Ian
Published: January 2023

'Frictionless mobility’, such as through driverless vehicles, has of course been a goal for a very long time in the minds of engineers and designers. But what type of contemporary city might evolve from this? And what happens to other, perhaps more sustainable modes of transport in its wake? Ian Woodcock, Senior Lecturer in Urbanism at the School of Architecture, Design and Planning at the University of Sydney, and Adjunct Associate Professor at the Centre for Design Innovation, Swinburne University of Technology, Melbourne, explores these questions and speculates about the city of the future.
Advances in the Production of Olfactory Receptors for Industrial Use
Authors: Cho Seongyeon , Park Tai Hyun
Published: January 2023

In biological olfactory systems, olfactory receptors (ORs) can recognize and discriminate between thousands of volatile organic compounds with very high sensitivity and specificity. The superior properties of ORs have led to the development of OR‐based biosensors that have shown promising potential in many applications over the past two decades. In particular, newly designed technologies in gene synthesis, protein expression, solubilization, purification, and membrane mimetics for membrane proteins have greatly opened up the previously inaccessible industrial potential of ORs. In this review, gene design, expression and solubilization strategies, and purification and reconstitution methods available for modern industrial applications are examined, with a focus on ORs. The limitations of current OR production technology are also estimated, and future directions for further progress are suggested.
Gradient Bandgap‐Tunable Perovskite Microwire Arrays toward Flexible Color‐Cognitive Devices
Authors: Fu Yue , Yuan Meng , Zhao Yingjie , Dong Meiqiu , Guo Yangwu , Wang Kui , Jin Chunqi , Feng Jiangang , Wu Yuchen , Jiang Lei
Published: January 2023

Color‐cognitive detection plays an important role in many developing applications such as optical sensing, high‐solution imaging, wearable biometric monitoring, and human visual cognitive system. Although color‐cognitive devices have been demonstrated, the large size, complex manufacturing, high cost, and non‐flexible processing impede their applications for distinguishing color information. Herein, gradient bandgap‐tunable perovskite microwire arrays with excellent crystallinity and pure crystallographic orientation are realized by the synergy of the capillary‐bridge assembly method and mild component engineering processing, yielding high‐performance integrated color‐cognitive devices with the spectral resolution of 14 nm ranging from 405 nm to 760 nm, responsivities over 103 A W−1, and detectivities over 1015 Jones. Furthermore, the integrated flexible color‐cognitive devices are demonstrated for accurately recognizing similar colors, which can be applied in color blindness correction. The efficient color recognition performances, together with the flexible processing, open new opportunities for the on‐chip integration of wearable devices based on microwire arrays.
Red‐Emitting Organic–Inorganic Hybrid Manganese(II) Halides for X‐Ray Imaging
Authors: Li Wen , Zhou Zhengyang , Wang Chao , Li Yunyun , Kurosawa Shunsuke , Ren Guohao , OuYang Xiaoping , Wu Yuntao
Published: January 2023

Low‐dimensional organic–inorganic hybrid manganese(II) halides are emerging as a highly promising class of candidate materials for X‐ray imaging due to their excellent radioluminescence performance. Here, a red‐emitting (Gua)2MnCl4 (Gua = guanidine, CH6N3+) single crystal scintillator grown by a simple solution‐processing method is reported. (Gua)2MnCl4 crystallizes into a zero‐dimensional (0D) crystal structure consisting of trimeric [Mn3Cl12]6− units. It has a high PLQY of 76% and a large Stokes shift of 125 nm. (Gua)2MnCl4 flexible scintillation screen demonstrates a decent X‐ray detection limit of 145.3 nGyair s−1 and a superior imaging resolution of 8 lp mm−1. These results highlight the potential of low‐dimensional red‐emitting Mn‐based hybrids for X‐ray imaging applications.
Wide‐range color‐tunable afterglow emission by the modulation of triplet exciton transition processes based on buckybowl structure
Authors: Zhang Yongfeng , Xiong Chenchen , Wang Wenbo , Dai Wenbo , Ren Yue , Xia Junming , Li Gengchen , Shi Jianbing , Tong Bin , Zheng Xiaoyan , Shao Xiangfeng , Cai Zhengxu , Dong Yuping
Published: January 2023

Buckybowl structures as non‐uniform electrostatic potential distributions of polycyclic aromatic materials show a unique photoelectric performance. In this work, OTC was utilized for dynamic modulation of triplet exciton transition processes. Five host molecules with different functional units were selected, thus providing different intermolecular interactions in the host/guest systems. Therefore, the delayed emissions were regulated from 536 to 624 nm via the tuning of the triplet exciton transition processes of OTC in different hosts. Experimental data and theoretical calculations revealed that the varied triplet transition behaviors resulted from the competition between the intersystem crossing (ISC) process of OTC‐monomer and the reverse intersystem crossing (RISC) process of OTC‐aggregates. This work proves the superior structure of buckybowl‐based luminophore for controlling triplet exciton transition processes and supplies a new perspective for persistent afterglow luminophore design.
Novel CRB1 pathogenic variant in Chuuk families with Leber congenital amaurosis
Authors: Albakri Amani , Pisuchpen Phattrawan , Capasso Jenina E. , Schneider Adele , Kopinsky Sarina , Glaser Tom , Chiang John P.‐W. , Yomai Anamaria Akapito , McNear Donna , Levin Alex V.
Published: January 2023

The purpose of this article is to determine the cause of Leber congenital amaurosis (LCA) in Chuuk state, Federated States of Micronesia (FSM). In this prospective observational case series, five patients with early‐onset vision loss were examined in Chuuk state, FSM, during an ocular genetics visit to study the elevated incidence of microphthalmia. Because of their low vision these patients were incorrectly assumed to have microphthalmia. A complete ophthalmological exam established a clinical diagnosis of LCA. Candidate gene exons were sequenced with a targeted retinal dystrophy panel. Five subjects in three related families were diagnosed with LCA. All five were from Tonoas Island, within the Chuuk Lagoon, with ages ranging from 6 months to 16 years. DNA sequencing of affected individuals revealed a homozygous CRB1 NM_201253.3:c.3134del pathogenic variant, which was heterozygous in their parents. CRB1 genotypes were confirmed by a PCR restriction assay. We report identification of a founder pathogenic variant in CRB1 responsible for autosomal recessive LCA in this isolated community. This discovery will lead to appropriate recurrence risk counseling.
A novel methodological approach for group classification during fission of a semi‐free‐ranging group of Japanese macaques (Macaca fuscata)
Authors: Hammer Roy , Stribos Mathieu S. , Boehm Pia M. , Pink Katharina E. , Herzele Julia , Wallner Bernard , Huffman Michael A. , Massen Jorg J. M. , Pflüger Lena S.
Published: January 2023

The self‐initiated split of a social group, known as fission, is a challenge faced by many group‐living animals. The study of group fission and the social restructuring process in real time provides insights into the mechanism of this biologically important process. Previous studies on fission in Japanese macaques (Macaca fuscata) assigned individuals to newly reorganized groups mainly using behavioral observations and group attendance records based on periods before or after fission itself. Here, we present a novel framework for group classification during the process of fission that uses quantifiable behavioral variables and statistical analyses. The framework was tested on a group fission process at Affenberg Landskron (Austria), a park that housed around 160 semi‐free‐ranging Japanese macaques. The behavioral data were collected for 26 days during fission. We analyzed three behavioral developments recurrent in fissions in Japanese macaques, that is, independence of behavior, participation in group movements, and separation of nomadic ranges. These analyses were combined to assign individuals to different groups. Our study resulted in one main group (N = 33), one subgroup (N = 36) and 56 individuals whose group membership was still undefined. The demographic characteristics of these newly formed groups were comparable with those of fissioned groups in wild populations. Furthermore, we found that these newly forming groups showed early social dynamics of fission five months before group level movements, that is: grouping based on spatial proximity and spatial withdrawal of the subgroup to the periphery. These results underline the validity of our novel framework to study social dynamics in Japanese macaques during the process of fission. It represents an important addition to existing methods, and we recommend testing its scope in other primate societies.
A Catalytic Method for the Enantioselective Synthesis of α‐Quaternary Ketones, α‐Ketoesters and Aldehydes
Authors: Wheatley Emilie , Zanghi Joseph M. , Mason Miles M. , Meek Simon J.
Published: January 2023

A practical method for the efficient and enantioselective preparation of versatile ketones and aldehydes that contain an α‐quaternary stereocenter is described. Reactions utilize simple carboxylic acid or ester starting materials, a monodentate chiral phosphine, and afford a variety of aryl, alkenyl, alkynyl, and alkyl‐substituted ketone and aldehyde products in 25–94 % yield and 90 : 10 to >99 : 1 enantiomeric ratio. Reactions proceed by acyl substitution with in situ formed chiral allylic nucleophiles, and display selectivity and conversion dependence on a protic additive. The utility of the approach is demonstrated through several product transformations.
Step by Step Induced Growth of Zinc‐Metal Interface on Graphdiyne for Aqueous Zinc‐Ion Batteries
Authors: Luan Xiaoyu , Qi Lu , Zheng Zhiqiang , Gao Yaqi , Xue Yurui , Li Yuliang
Published: January 2023

Rechargeable aqueous zinc ion batteries (AZIBs) promise high energy density, low redox potential, low cost and safety; however, their cycle performances are seriously insufficient to restrict the progress in this field. We propose a new concept of atomic electrode formed on the graphdiyne (GDY). This new idea electrode was synthesized by selectively, uniformly, and stably anchoring Zn atoms on GDY at the beginning of plating. The Zn atoms are induced to grow into larger size Zn clusters, which continue to grow into nanoflat. Finally, a new heterojunction interface is formed on GDY without any Zn dendrites and side reactions, even at high current densities. Such stepwise induction of growth greatly suppresses the formation of Zn dendrites, resulting in high electroplating/stripping reversibility and lifespan of AZIBs.
Polymer in hemostasis and follow‐up wound healing
Authors: Sasmal Pradyumna Kumar , Ganguly Somenath
Published: January 2023

Polymers offer unique functional properties that lead to some novel applications every other day. Bioactive polymers with high degree of biodegradability, nonimmunogenicity, and biocompatibility are considered for applications in wound healing. The most basic form of wound protection is by gauge dressing that isolates the wound from contaminants. Natural polymers for example, cellulose, alginate, chitosan, starch, dextran, gelatin, hyaluronic acid, glycan, collagen, and synthetic polymers including polymethyl methacrylate (PMMA), polyvinyl alcohol (PVA), polyethylene glycol (PEG), polyvinyl pyrrolidone (PVP) are candidates for these applications. Biopolymers, when applied as wound dressing promote tissue healing and repair by (i) regulating the moist environment, and (ii) providing the needed growth factors, while offering anti‐inflammatory, immune‐modulatory, and cell proliferative properties. It induces hemostasis via direct interaction with erythrocytes and platelets. These polymers in cross linked state offer a scaffold for cell proliferation, differentiation, and cell migration. Further, these polymeric materials can be utilized to form permeable envelopes around the hemostatic and wound healing agents to leverage a favorable release kinetics. The fabrication strategies and their reported efficacy are reviewed in this article.
Simultaneously improving of thermal resistance and mechanical performances of cyclic olefin copolymers by incorporation of bulky adamantane side group
Authors: Deng Bo , Wang Xuling , Wu Jiajun , Wu Huilin , Wang Kaiti
Published: January 2023

Due to the low toxicity, excellent thermal resistance, optical performances and dielectric properties, cyclic olefin copolymers (COCs) could be widely applied in manufacturing of food and medicine package, optical components, electronic device, and so forth. However, most of the commoditized COCs possessing glass transition temperatures (Tgs) higher than 150°C always show non‐ignorable mechanical brittleness. Herein, a bulky cyclic olefin, 5‐norboenene‐2,3‐dicarboxylicacid‐adamantan‐1‐yl ester (NBDAE), was synthesized by one step reaction in high yields and subsequently employed to copolymerize with cis‐cyclooctene (COE), affording a series of COCs bearing bulky adamantane side group. Due to the incorporation of the bulky norbornene derivative (NBDAE), the obtained COCs exhibited high Tgs (up to 216°C) and transparency (higher than 90%), even at relatively low NBDAE incorporations. As expected, the NBDAE‐COE copolymers also showed improved mechanical properties compared to commercialized Zeonex® 330R (Stress at break: 39.1 MPa, strain at braek: 2.3%). Most of the synthesized COCs showed thermal decomposition temperatures (Tds) higher than 300°C and did not decompose under maintaining at 250°C for 1 h. Considering the performances mentioned above, the prepared COCs would show more greatly potential application in various fields.
Evolutionary insights from an anatomical network analysis of the hyolaryngeal apparatus in extant archosaurs (birds and crocodilians)
Authors: Yoshida Junki , Kobayashi Yoshitsugu , Fiorillo Anthony R.
Published: January 2023

Adaptive radiation of archosaurs, represented by crocodilians, non‐avian dinosaurs, and birds, since the Mesozoic has been studied mainly based on their major skeletal elements (skull, vertebrae, and limbs). However, little is known about the evolution of their hyolaryngeal apparatus, which is involved with feeding, respiration, and vocalization, because of poor fossil preservation and the difficulty in determining the musculoskeletal homology of the apparatus. Network analysis is a framework to quantitatively characterize the topological organization of anatomical structures for comparing structural integration and modularity regardless of ambiguous homology. Herein, we modeled the musculoskeletal system of hyolarynx in six species of extant archosaurs and its sister‐taxon turtle, and conducted a network analysis using network parameters, modular partition, and bone centrality in a phylogenetic framework. The network parameters reveal that ancestral archosaurs have reduced the numbers of elements and links and acquired complex networks as a whole domain with strong modularity in the hyolarynx. Furthermore, the modular partition and centrality reveal that the hyoids are highly evolvable, while the larynx is constrained and less evolvable. The archosaur hyolarynx exhibits different evolutionary trends: crocodilians with the system integration, basihyal simplification, and ceratobranchial centralization; and birds with the simplicity, weak integration, and modularity of the hyolarynx, laryngeal integration with cricoid centrality, and tongue‐module expansion with the acquisition of paraglossal. Four hyolaryngeal bones (ceratobranchial, basihyal, paraglossal, and cricoid) have played important roles in archosaur evolution, and their fossil records are keys to understanding the two major archosaur lineages toward crocodilians and birds.
Fractional‐order dynamics and adaptive dynamic surface control of flexible‐joint robots
Authors: Cheng Chao , Shen Haikuo
Published: January 2023

This paper establishes a novel fractional‐order model for n‐links flexible‐joint (FJ) robots and proposes an adaptive dynamic surface control (DSC) scheme to address the tracking control problem. The fractional‐order FJ model is built by fractional‐order viscoelastic dynamics model to have a more concise form. An adaptive DSC strategy is proposed to address the tracking control problem based on backstepping method. By selecting the appropriate orders for fractional filters, the controller could solve the “explosion of complexity” problem. The unknown nonlinearities of FJ robot systems are approximated by Radial basis function (RBF) neural networks (NNs). Based on the Lyapunov stability theory, the bounds of all signals in the closed‐loop system are achieved. The simulation results confirm the effectiveness of the presented control scheme.
FAEC‐GAN: An unsupervised face‐to‐anime translation based on edge enhancement and coordinate attention
Authors: Lin Hong , Xu Chenchen , Liu Chun
Published: January 2023

Animation is a widely loved artistic form with high abstraction and powerful expression. The task of image translation from face to anime involves complex geometric and texture transformations, and requires the generated images with clear lines. The existing unsupervised image translation frameworks are often ineffective for this task. According to the characteristics of animation image, we propose an animation translation method based on edge enhancement and coordinate attention, which is called FAEC‐GAN. We design a novel edge discrimination network to identify the edge features of images, so that the generated anime images can present clear and coherent lines. And the coordinate attention module is introduced in the encoder to adapt the model to the geometric changes in translation, so as to produce more realistic animation images. In addition, our method combines the focal frequency loss and pixel loss, which can pay attention to both the frequency domain information and pixel information of the generated image to improve the visual effect of the image. The experimental results demonstrate that FAEC‐GAN is superior to the state‐of‐the‐art methods in the task of face‐to‐animation image translation.
Spatial adaptivity with boundary refinement for smoothed particle hydrodynamics fluid simulation
Authors: Xu Yanrui , Song Chongming , Wang Xiaokun , Ban Xiaojuan , Wang Jiamin , Zhang Yalan , Chang Jian
Published: January 2023

Fluid simulation is well‐known for being visually stunning while computationally expensive. Spatial adaptivity can effectively ease the computational cost by discretizing the simulation space with varying resolutions. Adaptive methods nowadays mainly focus on the mechanism of refining the fluid surfaces to obtain more vivid splashes and wave effects. But such techniques hinder further performance gain under the condition where most of the vast fluid surface is tranquil. Moreover, energetic flow beneath the surface cannot be adequately captured with the interior of the fluid still being simulated under coarse discretization. This article proposes a novel boundary‐distance based adaptive method for smoothed particle hydrodynamics fluid simulation. The signed‐distance field constructed with respect to the coupling boundary is introduced to determine particle resolution in different spatial positions. The resolution is maximal within a specific distance to the boundary and decreases smoothly as the distance increases until a threshold is reached. The sizes of the particles are then adjusted towards the resolution via splitting and merging. Additionally, a wake flow preservation mechanism is introduced to keep the particle resolution at a high level for a period of time after a particle flows through the boundary object to prevent the loss of flow details. Experiments show that our method can refine fluid–solid coupling details more efficiently and effectively capture dynamic effects beneath the surface.
Amine Functionalization Within Hierarchically‐Porous Zeotype Framework for Plasmonic Catalysis over PdAu Nanoparticles
Authors: Verma Priyanka , Mori Kohsuke , Kuwahara Yasutaka , Manzoli Maela , Morandi Sara , Fukuhara Choji , Raja Robert , Yamashita Hiromi
Published: January 2023

Plasmonic catalysis has revealed improved product yield and selectivity in various chemical transformation reactions over the past decade. In this report, the effect of tertiary amine (‐NR3) functionalization on the surface of hierarchically‐porous zeotype (HP‐AlPO‐5) materials to enhance the plasmon‐mediated catalysis, utilizing a combination of the plasmonic antenna (Au) and catalytic reactor (Pd) nanoparticles (NPs) was investigated. The catalysts have been characterized using enhanced techniques such as HAADF‐STEM, FT‐EXAFS, and probe‐based FT‐IR to reveal the proximity and interaction between bimetallic NPs, and thermal stability of amines in the presence of Au or PdAu NPs. Interestingly, a four‐fold enhancement in the Suzuki‐Miyaura coupling reaction product yield was obtained over PdAu/HP‐AlPO‐5‐NR3 when compared with the analogous plasmonic catalyst with no amine functionalization under visible light irradiation. A range of amines were functionalized and their influence in the nucleation, uniform growth and stabilization of catalytic active site (Pd) and formation of electron‐rich species under visible light irradiation has also been investigated. The presence of tertiary amine in the nanostructured catalyst enhanced the turnover number (TON) significantly under light irradiation conditions in comparison to dark conditions. This study provides an enriched understanding of plasmon‐driven chemistry, where the maximized reaction rate enhancement requires the existence of active metal species and the formation of electron‐enriched species under light irradiation conditions.
NaWuReT and YounGeCatS Joint Summer School – Shaping a Green Future by Reaction Engineering and Catalysis
Authors: Naliwajko Pawel , Friedland Jens , Börnhorst Marion
Published: January 2023

Sustainability has become one of the greatest scientific challenges of our time. Redesigning the chemical value chain with sustainable reactions and non‐fossil feedstocks, closing cycles in energy storage and digitalization demand interdisciplinary scientific excellence. The summer school organized by the early career researchers groups of Germanys reaction engineering and catalysis community aimed to bring together young scientists from reaction engineering and catalysis with experts from industry and academia to work on sustainable chemistry, energy storage and digitalization. During three days of lectures, workshops and intensive group work, the hot topics of our time were discussed and seminal ideas to tackle current challenges were formed.
Clinicopathological practice in the differential diagnosis of mucoepidermoid carcinoma from neoplasms with mucinous component
Authors: Zhu Yuelu , Li Yan , Guo Lei , Li Wenbin , Mu Jiali , Zhang Haifeng , Li Xin , Ying Jianming , Lu Haizhen
Published: January 2023

Background

The differential diagnosis of mucoepidermoid carcinoma (MEC) from neoplasm undergoing mucinous features brings more pitfalls to pathologists. Combining specific MAML2 gene rearrangement and histological characteristics may be the solution.

Methods

Twenty‐five tumors with mucinous components were selected for differential diagnosis of MEC. All the cases were detected for MAML2 gene rearrangement. The cases diagnosed as MEC were classified into four variants: classic, oncocytic, Warthin‐like, and nonclassified, and they were graded using the Brandwein system. The histological characteristics of non‐MECs were summarized for differential diagnosis. Univariate survival analysis was performed on MECs.

Results

There were 16 MECs; 62.5% were MAML2 rearranged. For the low‐, intermediate‐, and high‐grade MECs, the rate of rearrangement was 83.3%, 100%, and 28.6%, respectively. Both the oncocytic and Warthin‐like MECs were MAML2 rearranged. For the classic and nonclassified MECs without MAML2 rearrangement, non‐keratinized squamoid cells and distinctive mucinous cells were essential diagnostic criteria. On survival analysis, all the disease progression occurred in high‐grade MECs (p = 0.038). Nine cases were diagnosed as non‐MECs: pleomorphic adenoma with mucinous metaplasia showed no ex‐capsular involvement; metaplastic Warthin tumor appeared with overt keratinization and residual oncocytic bilayered epithelium; mix squamous cell and glandular papilloma showed an endobronchial papillary growing pattern; adenosquamous carcinoma was accompanied by squamous carcinoma in situ of the overlying mucosa. All the non‐MECs were negative for MAML2 rearrangement.

Conclusion

The application of combining MAML2 rearrangement and histological characteristics is helpful in the differential diagnosis between MEC and other tumors with mucinous components.
Plenates: Anion‐Dependent Self‐Assembly of the Pyrrole Cage Encapsulating Silver(I) Clusters
Authors: Sarwa Aleksandra , Białońska Agata , Garbicz Mateusz , Szyszko Bartosz
Published: January 2023

The self‐assembly of 2,5‐diformylpyrrole, tris(2‐aminoethyl)amine, and silver(I) yielded, depending on the size and basicity of the anion, new cascade complexes or plenates, that is, cryptates incorporating Agnn+clusters. The nature of the product was counterion‐dependent, and its formation was either driven by cascade anion binding or by argentophilic interactions stabilizing the cluster within the cavity. The reaction of plenates with tetrabutylammonium halides resulted in the protonation‐coupled replacement of the Ag33+with anion(s), yielding cascade cryptates.
On the Catalytic Performance of (ZrO)n (n=1–4) Clusters for CO Oxidation: A DFT Study
Authors: Ye Ya‐Ling , Pan Kai‐Yun , Wang Wen‐Lu , Ni Bi‐Lian , Sun Wei‐Ming
Published: January 2023

The unique characteristic of superatoms to show chemical properties like those of individual atoms opens a new avenue towards replacing noble metals as catalysts. Given the similar electronic structures of the ZrO superatom and the Pd atom, the CO oxidation mechanisms catalysed by (ZrO)n (n=1–4) clusters were investigated in detail to evaluate their catalytic performance. Our results reveal that a single ZrO superatom exhibits superior catalytic ability in CO oxidation than both larger (ZrO)n (n=2–4) clusters and a Pd atom, indicating the promising potential of ZrO as a “single‐superatom catalyst”. Moreover, the mechanism of CO oxidation catalysed by ZrO+/− suggests that depositing a ZrO superatom onto the electron‐rich substrates is a better choice for practical catalysis application. Accordingly, a graphene nanosheet (coronene) was chosen as a representative substrate for ZrO and Pd to assess their catalytic performances in CO oxidation. Acting as an “electron sponge”, this carbon substrate can both donate and accept charges in different reaction steps, enabling the supported ZrO to achieve enhanced catalytic performance in this process with a low energy barrier of 19.63 kcal/mol. This paper presents a new realization on the catalytic performance of Pd‐like superatom in CO oxidation, which could increase the interests in exploring noble metal‐like superatoms as efficient catalysts for various reactions.
Effect of Humidity on Crystal Growth of CuSCN for Perovskite Solar Cell Applications
Authors: Kogo Atsushi , Murakami Takurou N.
Published: January 2023

Copper(I) thiocyanate (CuSCN) is one of the most robust hole‐transport materials for perovskite solar cells (PSCs). However, the power conversion efficiency of CuSCN‐based PSCs is low due to difficulty in crystallization of CuSCN. In this study, we focused on humidity conditions during the aging process of CuSCN‐based PSCs to improve their performance. PSCs aged in humid air, i. e., at a relative humidity of 70 %, exhibited better performance (efficiency; 10.6 %) than those aged in lower humidity (5.9 %) due to improved crystallinity of CuSCN layers. The results of the study provide insights into how to improve fabrication process of CuSCN‐based PSCs for higher stability and efficiency.
Relativistic Density Functional NMR Tensors Analyzed with Spin‐free Localized Molecular Orbitals
Authors: Fernández‐Alarcón Alberto , Autschbach Jochen
Published: January 2023

The front cover artwork is provided by Dr. Alberto Fernández‐Alarcón. The image symbolizes the interactions of a molecule, via its orbitals, with an electromagnetic field, to produce the spectroscopic signals observed in NMR. Read the full text of the Concept at 10.1002/cphc.202200667.
Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics
Authors: Jameson Brian , Glaser Rainer
Published: January 2023

The front cover artwork is provided by Prof. Rainer Glaser's group at the Missouri University of Science and Technology. The image shows one of four potential energy surfaces generated from our rotation‐inversion study of tertiary carbamates and highlights two of the eight possible transition state pathways between two ensembles of E‐ and Z‐minima. In the context of synthetic studies of fluorinated carbamates R1O−CO−N(R2)CH2CF3, we unexpectedly observed two sets of 13C NMR quartets for the CF3 group and we needed to understand their origin. Read the full text of the Research Article at 10.1002/cphc.2022005442.
Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity
Authors: Hamaguchi Kazuma , Lu Huanjun , Okamura Shota , Kajiyama Satoshi , Uchida Junya , Sato Shunsuke , Watanabe Go , Ishii Yoshiki , Washizu Hitoshi , Ungar Goran , Kato Takashi
Published: January 2023

Reentrant phenomena in soft matter and biosystems have attracted considerable attention because their properties are closely related to high functionality. Here, we report a combined experimental and computational study on the self‐assembly and reentrant behavior of a single‐component thermotropic smectic liquid crystal toward the realization of dynamically functional materials. We have designed and synthesized a mesogenic molecule consisting of an alicyclic trans,trans‐bicyclohexyl mesogen and a polar cyclic carbonate group connected by a flexible tetra(oxyethylene) spacer. The molecule exhibits an unprecedented sequence of layered smectic phases, in the order: smectic A‐smectic B‐reentrant smectic A. Electron density profiles and large‐scale molecular dynamics simulations indicate that competition between the stacking of bicyclohexyl mesogens and the conformational flexibility of tetra(oxyethylene) chains induces this unusual reentrant behavior. Ion‐conductive reentrant liquid‐crystalline materials have been developed, which undergo the multistep conductivity changes in response to temperature. The reentrant liquid crystals have potential as new mesogenic materials exhibiting switching functions.
Investigation of SnS2‐rGO Sandwich Structures as Negative Electrode for Sodium‐Ion and Potassium‐Ion Batteries
Authors: Li Chengping , Pfeifer Kristina , Luo Xianlin , Melinte Georgian , Wang Jinsong , Zhang Zhengfu , Zhang Yingjie , Dong Peng , Sarapulova Angelina , Ehrenberg Helmut , Dsoke Sonia
Published: January 2023

Sodium‐ion and potassium‐ion batteries (NIBs and KIBs) are considered promising alternatives to replace lithium‐ion batteries (LIBs) in energy storage applications due to the natural abundance and low cost of Na and K. Nevertheless, a critical challenge is that the large size of Na+/K+ leads to a huge volume change of the hosting material during electrochemical cycling, resulting in rapid capacity decay. Among negative candidates for alkali‐metal‐ion batteries, SnS2 is attractive due to the competitively high specific capacity, low redox potential and high abundance. Porous few‐layer SnS2 nanosheets are in situ grown on reduced graphene oxide, forming a SnS2‐rGO sandwich structure via strong C−O−Sn bonds. This nano‐scaled sandwich structure not only shortens Na+/K+ and electron transport pathways but also accommodates volume expansion, thereby enabling high and stable electrochemical cycling performance of SnS2‐rGO. This work explores the influence of different conductive carbons (Super P and C65) on the SnS2‐rGO electrode. In addition, the effects of the electrolyte additive fluoroethylene carbonate (FEC) on the electrochemical performance in NIBs and KIBs is evaluated. This work provides guidelines for optimized electrode structure design, electrolyte additives and carbon additives for the realization of better NIBs and KIBs.
Digital cytology: Current status and future prospects
Authors: Saini Tarunpreet , Bansal Baneet , Dey Pranab
Published: January 2023

Aims

In this paper, we reviewed the basic principle and the currentstatus of digital cytopathology.

Materials and Methods

We reviewed the published papers on digitalcytology and analysed its future prospects.

Results

Virtualcytology using digital platform is being increasingly used to render diagnosisrather than conventional glass slide microscopy. Whole slide imaging (WSI)offers the prospect of true virtual microscopy and in the near future, may evenreplace glass slides in routine practice. It may be pivotal in diagnosing andtraining pathology graduates faster and more accurately.

Conclusion

The digital cytopathology is a promising field and may have great impact indiagnosis, research and teaching.
Construction of three‐dimensional crumpled Ni‐Co TMOs for electrochemical energy storage
Authors: Zheng Guoxu , Yu Xinbiao , Huang Xinzhe , Deng Yufeng , Yuan Zhuo , Song Mingxin
Published: January 2023

Due to excellent electrochemical performances, mixed transition metal oxides (TMOs) as electrode materials have attracted scholarly attention. However, the issues of volume expansion, unstable structure, and low electrical conductivity have limited their development for lithium battery (LIB). Drawing on the strategy of MOFs derivation synthesis combined with low temperature hydrothermal method, this study successfully synthesized the three‐dimensional (3D) NiCo2O4@Fe2O3 with a flower‐like crossing channel and a surface crumpled structure. As anode for LIBs, NiCo2O4@Fe2O3 exhibits more reliable performance than Ni−Co oxides. Our experiments verified that the Ni−Co composite electrical conductivity and cycling stability were both improved by the Fe2O3 coating. Under the high current density of 1000 mA g−1, the capacity decay rate of NiCo2O4@Fe2O3 tends to be stable after 60 cycles, and the capacity remains at 945 mAh g−1 after 400 cycles. Besides, the specific crossing porous‐channel structure mode improved the composite's carrier transport efficiency, and coulombic efficiency reached 100 % after 400 cycles. Noteworthy is the fact that the crumpled surface structure formed by the 2D Ni−Co nanosheets promotes the construction of heterostructures, further enhances the interface capacitance effect, and strengthens the rating capacity.
Evolution of the theoretical description of the isoelectric focusing experiment: III. Carrier ampholyte behavior in transient, bidirectional isotachophoresis
Authors: Vigh Gyula , Gaš Bohuslav
Published: January 2023

In modern isoelectric focusing (IEF) systems, where (i) convective mixing is prevented by gels or small cross‐sectional area separation channels, (ii) current densities vary spatially due to the presence of electrode vessels with much larger cross‐sectional areas than those of the gels or separation channels, and (iii) electrophoretic and diffusive fluxes do not balance each other, stationary, steady‐state pH gradients cannot form (open‐system IEF). Open‐system IEF is currently described as a two‐stage process: A rapid IEF process forms the pH gradient from the carrier ampholytes (CAs) in the first stage, then isotachophoretic processes degrade the pH gradient in the second stage as the extreme pI CAs are moved into the electrode vessels where they become diluted. Based on the ratios of the local effective mobilities and the local conductivities (/ values) of the anolyte, catholyte, and the CAs, we pointed out in the preceding paper (Vigh G, Gas B, Electrophoresis 2023, 44, 675‐88) that in open‐system IEF, a single process, transient, bidirectional isotachophoresis (tbdITP) operates from the moment current is turned on. In this paper, we demonstrate some of the operational features of the tbdITP model using the new ITP/IEF version of Simul 6.
Intergenerational arsenic exposure on the mouse epigenome and metabolic physiology
Authors: Colwell Mathia L. , Flack Nicole , Rezabek Amanda , Faulk Christopher
Published: January 2023

Inorganic arsenic (iAs) is one of the largest toxic exposures to impact humanity worldwide. Exposure to iAs during pregnancy may disrupt the proper remodeling of the epigenome of F1 developing offspring and potentially their F2 grand‐offspring via disruption of fetal primordial germ cells (PGCs). There is a limited understanding between the correlation of disease phenotype and methylation profile within offspring of both generations and whether it persists to adulthood. Our study aims to understand the intergenerational effects of in utero iAs exposure on the epigenetic profile and onset of disease phenotypes within F1 and F2 adult offspring, despite the lifelong absence of direct arsenic exposure within these generations. We exposed F0 female mice (C57BL6/J) to the following doses of iAs in drinking water 2 weeks before pregnancy until the birth of the F1 offspring: 1, 10, 245, and 2300 ppb. We found sex‐ and dose‐specific changes in weight and body composition that persist from early time to adulthood within both generations. Fasting blood glucose challenge suggests iAs exposure causes dysregulation of glucose metabolism, revealing generational, exposure, and sex‐specific differences. Toward understanding the mechanism, genome‐wide DNA methylation data highlights exposure‐specific patterns in liver, finding dysregulation within genes associated with cancer, T2D, and obesity. We also identified regions containing persistently differentially methylated CpG sites between F1 and F2 generations. Our results indicate the F1 developing embryos and their PGCs, which will result in F2 progeny, retain epigenetic damage established during the prenatal period and are associated with adult metabolic dysfunction.
Nitrous oxide emissions from rice paddy: Impacts of rice straw and water management
Authors: Rassaei Farzad
Published: January 2023

Typically, organic amendment additions like rice straw (RS) are used in agriculture to improve soil quality. The application of RS may influence the production of methane and nitrous oxide (N2O), which may increase the amount of accessible nutrients and organic matter (OM). When compared to farmers' practices of continuous flooding irrigation (CFI), water management (WM) techniques like alternative wetness and dryness irrigation (AWDI) in paddy rice cultivation boost water use efficiency and may result in lower greenhouse gas (GHGs) emissions. A randomized complete block design (RCBD) was employed to evaluate the impacts of WM (CFI and AWDI), RS (15.0 and 30.0 ton ha−1), and their interaction (RS*WM) on the N2O emission and rice yield in a rice paddy calcareous soil. In comparison to control, a single application of RS at 15.0 and 30.0 ton ha−1significantly reduced N2O emissions by 16.20% and 31.40% (p < 0.01). AWDI regime increased N2O emissions by 67.0% in comparison to the CFI regime (p < 0.01). According to two tailed Pearson correlation, the correlations between AWDI and N2O emissions in the days following rice planting were significantly positive at 0.01 levels. In AWDI regime, adding RS significantly reduced N2O emissions by 18.68% and 31.55% in 15.0 and 30.0 ton ha−1added RS, respectively, compared to solo WM treatments (p < 0.01). Both RS rates resulted in a considerable increase in biomass and rice grain while AWDI had no significant effect on them. Our study shows that AWDI saved 18.50% water in comparison with CFI regime.
Dysregulated cholesterol metabolism, aberrant excitability and altered cell cycle of astrocytes in fragile X syndrome
Authors: Ren Baiyan , Burkovetskaya Maria , Jung Yoosun , Bergdolt Lara , Totusek Steven , Martinez‐Cerdeno Veronica , Stauch Kelly , Korade Zeljka , Dunaevsky Anna
Published: January 2023

Fragile X syndrome (FXS), the most prevalent heritable form of intellectual disability, is caused by the transcriptional silencing of theFMR1gene. While neuronal contribution to FXS has been extensively studied in both animal and human‐based models of FXS, the roles of astrocytes, a type of glial cells in the brain, are largely unknown. Here, we generated a human‐based FXS model via differentiation of astrocytes from human‐induced pluripotent stem cells (hiPSCs) and human embryonic stem cells (hESCs) and characterized their development, function, and proteomic profiles. We identified shortened cell cycle, enhanced Ca2+signaling, impaired sterol biosynthesis, and pervasive alterations in the proteome of FXS astrocytes. Our work identified astrocytic impairments that could contribute to the pathogenesis of FXS and highlight astrocytes as a novel therapeutic target for FXS treatment.
Effects of chemical reaction and thermal radiation on MHD free convective flow of micro polar fluid past an infinite moving vertical porous plate with viscous dissipation
Authors: Appidi Lakshmi , Kumar P. Pramod , Matta Sweta , Malga Bala Siddulu
Published: January 2023

This article discusses the impact of chemical reaction and radiation on an unstable two‐dimensional laminar flow around a viscous fluid over a semi‐infinite, vertical absorbent surface that moves progressively. The governing classification of partial differentiation was converted into an ordinary differentiation system in this case. To get numerical solutions, the Galerkin finite element technique is applied to nondimensional velocity, micro‐rotation, temperature, and concentration profiles. The consequences of skin friction, the combined pressure quantity, the mass, and heat assignments at the boundary are formed using different fluid properties and flow conditions. Physical quantities and their effects Graphs depict the radiation parameter R, thermal conductivity k, Eckert number Ec, and other velocities, micro‐rotation, temperature, and concentration factors. The main findings of this current problem is showing the chemical reaction effects on velocity and concentration. It is observed that both the velocity and concentration of the fluid decrease when Kr increases.
Thermorheological effect on Rayleigh–Bénard magnetoconvection in a biviscous Bingham fluid with rough boundary condition on velocity and Robin boundary condition on temperature
Authors: Nandal Reena , Siddheshwar P. G.
Published: January 2023

The thermorheological effect on the onset of Rayleigh–Bénard convection in a biviscous Bingham fluid in the presence of a horizontal magnetic field is investigated considering rough boundary conditions on velocity and Robin boundary conditions on temperature. The viscosity of the electrically conducting fluid is assumed to be sensitive to temperature variation. Linear and global nonlinear stability analyses are performed using the Chebyshev pseudospectral method to determine the existence of instability or otherwise. A general interpretation is made from the results to show the effects of the magnetic field and the variable viscosity on the system's stability. The biviscous Bingham parameter and the Chandrasekhar number are shown to have a delay in the onset of convection, while the effect of temperature sensitivity is to advance the onset. It is found that the results of linear and global nonlinear stability are not in agreement, so the region of subcritical instability exists. Also, the results obtained for Rayleigh–Bénard convection agree pretty well with those of Platten and Legros and Siddheshwar et al. for the limiting cases.
Structural‐functional unit ordering for high‐performance electron‐correlated materials
Authors: Peng Guyang , Hu Lei , Qu Wanbo , Zhang Chenglong , Li Shurong , Liu Ziyu , Liu Juncheng , Guo Shengwu , Xiao Yu , Gao Zhibing , Zhang Zhen , Zhang Yang , Wu Haijun , Pennycook Stephen J. , Sun Jun , Ding Xiangdong
Published: January 2023

Electron‐correlated materials have been drawing ever‐increasing attention due to their fascinating physical behaviors and extensive application scenarios. In this review, a new method for material research and design (R&D), named structural‐functional unit ordering (SFU ordering), which is presented, overcomes the shortcomings—for example, the limitation of finite chemical elements and long R&D circle‐of conventional strategy and thus provides guidance for the design of these high‐performance functional materials on demand. Meanwhile, with the development of material characterization technologies, SFUs of different scales and types can be directly observed, which, moreover, regulate the corresponding orderings. The review, starts with an introduction of the profile for SFU ordering and the synergistic effect between SFUs. Then, studies on several new high‐performance electronic‐correlated materials, for example, a ferromagnetic semiconductor with local spin, ferromagnetic metals with spin topologies, ferroelectric thin films with polar topologies, piezoelectric thin films with nanopillars enclosed by charged boundaries, thermoelectric materials with local ferromagnetic nanoparticles and topotactic phase transformation with conducting nanofilaments are stated in detail one by one. The vital aspect is the breaking of local symmetry, the construction, the structure, of SFUs and their orderings existing or theoretically existing, together with the enhanced/new performance. All in all, the main comments of the review tend to the remaining challenges, promising design approaches for the SFUs, and their orderings for high‐performance functional materials.