bluuebunny/crossref_metadata_2025 huggingface dataset:
Genetic Relatedness among Escherichia coli Isolated from Clinical Samples
Authors: Ahsan Sunjukta , Amin Ruhul , Bhowmik Anindita
Published: January 2019

A common member of the intestinal microbiota in humans and animals is Escherichia coli. Based on the presence of virulence factors, E. coli can be potentially pathogenic. The focus of this study was to determine genotypic diversity among clinical strains of E. coli. Test isolates were identified by biochemical, culture-based and molecular tests. Partial sequence of 16s rDNA was determined by Polymerase Chain Reaction using universal primers. The sequences were used as input in Basic Local Alignment Search Tool (BLAST) to reconfirm the identity of the isolates. Sequences were edited in Chromas and aligned in Bioedit. Afterwards, sequences were fed into Mega 5 and a dendogram was constructed. We used three sequences deposited in GenBank for comparison with our test sequences. It was found that two of our sequences showed similarity to the reference sequences. One of the isolates was similar to a Uropathogenic and a commensal E. coli. The other isolate showed similarity to a UPEC strain. It is possible that both of these isolates were commensal bacteria that led to opportunistic infection in the patients. The rest of the nine strains were different from the reference sequences. These isolates may be opportunistic pathogens that have undergone mutation events leading to sufficiently different rDNA sequences from the reference bacteria. Or they may also be pathogenic strains that caused infection in patients. This study indicated that clinical isolates of E. coli show variation in terms of their rDNA sequences. In order to study their phylogeny, other supporting tools such as investigation for phylogenetic markers, RAPD, ARDRA, ERIC-PCR, ribotyping, etc. may be used to study variation among isolates to a more significant extent.

Bangladesh J Microbiol, Volume 34 Number 2 December 2017, pp 97-101
In-Vitro Antibacterial Properties of Ethanol and Methanol Extracts of Betel Leaves Collected from Different Areas of Bangladesh
Authors: Hossain Md Sahadat , Das Kamal Kanta , Acharjee Mrityunjoy
Published: January 2019

Current investigation depicted in-vitro antibacterial activity of available betel leaf (sweet, hot and fresh betel leaves) collected from different place of Bangladesh. The in-vitro antimicrobial activities of the ethanol and methanol extracts of the betel leaf were noticeable against tested bacteria. Among 3 categories of samples, the antibacterial action of ethanol extracts of hot betal leaf was found the highest against most of the bacteria except Klebsiella sp. and Staphylococcus sp., while the methanol extract showed antibacterial activity against all the pathogenic strains tested. The highest MIC (1mg/ml) and the lowest MIC values (25mg/ml) of hot betel leaf and sweet betel leaf were found against E. coli and all test organisms, respectively. This evidence revealed that betel leaf extracts can be used to combat against human pathogens.

Bangladesh J Microbiol, Volume 34 Number 2 December 2017, pp 125-127
Waarom het onderzoek naar veiligheidsbeleving een nieuwe impuls nodig heeft
Authors: Eysink Smeets Marnix
Published: January 2019

The need for a new impulse in fear of crime studies

The security landscape has changed rapidly. New or revived threats have emerged, such as terrorism and cybercrime, bringing new or revived fears and anxieties as well. Actors in security policy feel a need to address these fears, but do not know how. Can the criminological subdiscipline of fear of crime studies provide the knowledge and understanding that is needed? A quick scan of the state of the art in this research domain, gives two reasons why it cannot: (1) fear of crime studies have yielded much knowledge on operationalization, measurement and determinants of fear of crime, but far less in mechanisms, trends, effects and influenceability, whereas insight in the latter issues is what is mostly needed in security policy; and (2) fear of crime studies are still mainly focused on the ‘traditional’ fear of crime, while fear of new crimes and threats remains under-researched. A shift of focus in fear of crime studies is urgently needed.
Graven naar de wortels van onveiligheidsgevoelens
Authors: Spithoven Remco
Published: January 2019

In search of the roots of fear of crime. No neighborhood is the same

The aim of this article is to search for a more focused approach of fighting back against ‘the fear of crime’. It is based on a study of the backgrounds of risen levels of fear of crime in twelve neighborhoods in the regions of Utrecht and Rotterdam, the Netherlands. Eight central themes could be identified in the stories of 240 respondents: specific locations, avoidance behavior, social stability, social quality, superdiversity, negative neighborhood images, burglary, and societal pessimism. Despite the fact that these central themes appeared in the overall analysis, every neighborhood showed another mix of factors explaining risen levels of fear of crime. This means that policies to reduce ‘the fear of crime’ should focus on specific, local explanations and should always be tailor-made.
Etnische diversiteit en onveiligheidsgevoelens in de buurt
Authors: Glas Iris , Jennissen Roel
Published: January 2019

Ethnic diversity and fear of crime in the neighborhood

Living in a multicultural environment may be accompanied with an increased fear of crime. Residents may become alienated in a very diverse environment and withdraw themselves in their own social world. This ‘hunkering down’ may ensue feelings of unsafety. However, social scientists have done hardly any research on whether citizens who live in a multicultural environment in Western Europe actually feel more unsafe. This study seeks to contribute to fill in this knowledge gap. The authors’ research reveals that residents are more likely to feel unsafe in neighborhoods with a high degree of ethnic diversity. The aforementioned correlation is the most noticeable in neighborhoods consisting of people on medium incomes.
The impact of melatonin on antioxidant defense mechanisms in Alzheimer’s disease
Authors: Malicka Daria , Markowska Dominika , Nuszkiewicz Jarosław , Szewczyk-Golec Karolina
Published: January 2019

During aging, the increased risk of neurodegenerative disease development is observed. One of the most common and most serious disorders is Alzheimer’s disease manifested by the loss of nerve cell functions. In the course of the disease, extracellular senile plaques consisting of beta-amyloid and intracellular neurofibrillary tangles of hyper-phosphorylated tau protein are formed. As a result of aging, the repair potential of damaged nerve cells is reduced. Free radicals formed in excess generate augmented oxidative stress, which contributes to the damaging of biomolecules and the development of pathological changes. This mechanism is favored by a decrease in the efficiency of antioxidant enzymes and the deficiency of antioxidants,
observed in aging organism. With age, the secretion of the pineal hormone melatonin,
functioning as a biochemical biological clock, is significantly reduced. This compound has
been proved to be a very effective antioxidant that plays a key role in protecting cells against
excessive damage, especially in nervous tissue. Studies have shown that supplementation
with exogenous melatonin can prevent oxidative stress-induced degeneration of neurons.
Considering the action of melatonin and the pathogenesis of Alzheimer’s disease, the idea of
using the hormone supplementation in the prevention and alleviation of the effects of the
disease seems to be extremely interesting.
Citation.js: a format-independent, modular bibliography tool for the browser and command line
Authors: Willighagen Lars G
Published: January 2019

Background. Given the vast number of standards and formats for bibliographical data, any program working with bibliographies and citations has to be able to interpret such data. This paper describes the development of Citation.js (https://citation.js.org/), a tool to parse and format according to those standards. The program follows modern guidelines for software in general and JavaScript in specific, such as version control, source code analysis, integration testing and semantic versioning.

Results. The result is an extensible tool that has already seen adaption in a variety of sources and use cases: as part of a server-side page generator of a publishing platform, as part of a local extensible document generator, and as part of an in-browser converter of extracted references. Use cases range from transforming a list of Wikidata identifiers into a BibTeX file on the command line, to displaying RIS references on a webpage with added Altmetric badges to generating "How to cite this" sections on a blog.

Conclusions. Citation.js is a library supporting various formats of bibliographic information in a broad selection of use cases and environments. Given the support for plugins, more formats can be added with relative ease.
Implementering av PICC-line – en kvalitativ studie av anestesisykepleieres erfaringer
Authors: Thorvaldsen Smith Stine , Haraldstad Kristin
Published: January 2019

PICC-line, a peripherally inserted central venous catheter has been implemented by several Norwegian hospitals in recent years. Nurse Anesthetists play an important role in this process, and have been given new tasks as a result of PICC-line implementation. This study aimed to describe Nurse Anesthetists’ experiences with implementation of PICC-line in hospital. A qualitative design, the data are based on three focus groups interviews with fifteen nurse anesthetists. The interviews were analyzed using a hermeneutic approach. Being a PICC-line nurse led to a feeling of competence, independence, motivation and meaningfulness. The implementation required good structure and organization, as well as enthusiasm. Collaboration and support influenced the implementation process. Good organization and enough available personnel, as well as good collaboration and support from the Anesthesiologists and the management are essential for a successful implementation.
Palpitations After Transcatheter Atrial Septal Defect Closure
Authors: Međimurec Goran , Đurić Željko , Ivanac Vranešić Irena
Published: November 2024

This case report discusses a complication of transcatheter secundum atrial septal defect closure.
Substitutional Chemistry of MAPbI3: Gaining Control over Material Photostability and Photovoltaic Performance via Pb2+ Replacement
Authors: Ustinova Marina I. , Lobanov Maxim V. , Shilov Gennadii V. , Dremova Nadezhda N. , Akbulatov Azat F. , Gutsev Lavrenty G. , Zhidkov Ivan S. , Kurmaev Ernst Z. , Prudnov Fedor A. , Ivanov Andrei V. , Frolova Lyubov A. , Aldoshin Sergey M. , Troshin Pavel A.
Published: November 2024

The strategy of partial Pb2+ substitution is applied, in prototypical MAPbI3 perovskite, with a large array of metal cations in order to comprehensively explore their possible incorporation in the perovskite lattice at Pb2+ sites and thus obtain improved photostability of the absorber. An analysis of lattice parameters and optoelectronic properties of MAPb1‐xMxI∼3 compositions allowed authors to deduce which metal cations are partially incorporated in the perovskite structure and which are expelled in the form of secondary phases. Curious effects of metal incorporation are observed, such as a decrease in the tetragonal distortion ratio and a change in the band gap. This work reveals that the doping of 11 metal cations significantly improves the photostability of the MAPbI3 films. Multiple MAPb1‐xMxI∼3 formulations deliver superior power conversion efficiencies (PCEs) in solar cells. The DFT calculations further demonstrate a complex relationship between the synthetic conditions and doping patterns. The performed study is thus a stepping stone in the development of more stable perovskite absorbers with superior photovoltaic properties.
Enhancing Durability of Organic–Inorganic Hybrid Perovskite Solar Cells in High‐Temperature Environments: Exploring Thermal Stability, Molecular Structures, and AI Applications
Authors: Su Shimiao , Ahn Taekyu , Yang Yun
Published: November 2024

The commercialization of perovskite solar cells (PSCs), as an emerging industry, still faces competition from other renewable energy technologies in the market. It is essential to ensure that PSCs are durable and stable in high‐temperature environments in order to meet the varied market demands of hot regions or seasons. The influence of high temperatures on the PSCs is complex, encompassing factors such as lattice strain, crystal phase changes, the creation of defects, and ion movement. Furthermore, it intensifies lattice vibrations and phonon scattering, which in turn impacts the migration rate of charge carriers. This review focuses on the durability of organic–inorganic hybrid PSCs under high temperatures. It begins by analyzing the impact of external temperature variations on the internal energy dynamics of PSCs. Subsequently, it outlines the various mechanisms provided by different functional molecules, applied to interface stabilization, grain boundary passivation, crystal growth control, electrode protection, and the development of new hole transport layers, to enhance the thermal stability of PSCs. Additionally, machine learning (ML) is discussed for predicting crystal structure stability, PSCs operational stability, and material screening, with a focus on the potential of deep learning and explainable artifical intelligence (AI) techniques in the commercialization of PSCs.
Biosensor‐Based Microfluidic Platforms for Rapid Clinical Detection of Pathogenic Bacteria
Authors: Hou Ying , Liu Zhen , Huang Haina , Lou Chengming , Sun Zhiwei , Liu Xiaoyan , Pang Jinbo , Ge Shenguang , Wang Zenan , Zhou Weijia , Liu Hong
Published: November 2024

Pathogenic bacteria are commonly found in food, water, and soil, posing significant public health challenges globally. Therefore, early, rapid, and highly sensitive strategies for monitoring the bacterial proliferation are crucial for ensuring public health, medical diagnosis, and food safety. Compared to traditional techniques, microfluidic platforms provide powerful detective tools characterized by high integration, high throughput, ease of operation, low reagent consumption, and high sensitivity. Driven by substantial commercial demand, research and development in microfluidic‐based rapid detection methods and technologies has progressed significantly derived by the interdisciplinary integration of multiple disciplines. In this review, progress in clinical detection of pathogenic bacteria with microfluidic biosensors, including microfluidic devices for point‐of‐care (POC) testing, is summarized. Strategies for pathogenic bacteria detection, containing their advantages and disadvantages are discussed in detail. Advanced platforms for capturing and detecting pathogenic bacteria, such as microchannels, microarrays, digital microfluidics (DMF) and paper‐based platforms, are highlighted. The accomplishments and shortcomings of these microfluidic devices are also summarized. Additionally, case studies of biosensor‑based microfluidic devices used for detecting diseases caused by bacterial imbalances are listed. Finally, possible research perspectives for further development in highly effective biosensor‑based microfluidics for clinical detection of pathogenic bacteria are proposed.
1D Crystalline Assemblies Exhibiting Large Second Harmonic Generation Susceptibilities and Stacking‐/Polarization‐Driven Tunability
Authors: Yang Jingyu , Pan Jinbo , Zhang Yan‐Fang , Wan Guolin , Zhu Yongqian , Wei Zixuan , Li Yuhui , Du Shixuan
Published: November 2024

Nonlinear optical (NLO) van der Waals (vdW) crystals containing 1D building blocks exhibit large NLO coefficients and birefringence that are crucial for their applications. In this work, 21 NLO 1D building blocks with large second harmonic generation (SHG) susceptibility from the Computational 1D Materials Database (C1DB) are screened. Among them, 14 are hitherto unreported and have SHG susceptibilities approaching theoretical upper limits. Forty‐five new vdW NLO crystals are then constructed by stacking one or two of the 21 building blocks. Eighteen of them inherit the large SHG susceptibilities of their corresponding 1D building blocks. Three stable crystals exhibit large SHG susceptibilities and birefringence, while one stable crystal possesses ferroelectricity. Interestingly, the SHG susceptibilities of the newly constructed NLO crystals are inversely proportional to the third power of their bandgaps. Further calculations show that the SHG susceptibilities of the vdW NLO crystals can be tuned either by stacking order or by reversing electric polarization, providing possibilities for their application in tunable nonlinear optics and NLO switches.
Room Temperature Strong Orbital Moments in Perpendicularly Magnetized Magnetic Insulator
Authors: Omar Ganesh Ji , Gargiani Pierluigi , Valvidares Manuel , Lim Zhi Shiuh , Prakash Saurav , Suraj T. S. , Ghosh Abhijit , Lim Sze Ter , Lourembam James , Ariando A.
Published: November 2024

The balance between the orbital and spin magnetic moments in a magnetic system is the heart of many intriguing phenomena. Here, experimental evidence of a large orbital moment is shown, which competes with its spin counterpart in a ferrimagnetic insulator thulium iron garnet, Tm3Fe5O12. Leveraging element‐specific X‐ray magnetic circular dichroism (XMCD), it is established that the dominant contribution to the orbital moment originates from 4f orbitals of Tm. Besides the large Tm orbital moment, intriguingly, the results also reveal a smaller but evident non‐zero XMCD signal in the O K edge, suggesting additional spin‐orbit coupling and exchange interactions with the nearest neighbor Fe atoms. The unquenched orbital moment is primarily responsible for a significant reduction in g‐factor, typically 2 in transition metals, as determined independently using ferromagnetic resonance spectroscopy. The findings reveal a non‐linear reduction in the g‐factor from 1.7 at 300 K to 1.56 at 200 K in Tm3Fe5O12 thin films. These results provide critical insights into the role of the f orbitals in long‐range magnetic order and stimulate further exploration in orbitronics.
Optimizing the Electrical Microenvironment Provided by 3D Micropillar Topography on a Piezoelectric BaTiO3 Substrate to Enhance Osseointegration
Authors: Sun Xiaowen , Guo Yaru , Zheng Xiaona , Bai Yunyang , Lu Yixuan , Yang Xue , Cai Ziming , Xu Erxiang , He Ying , Heng Boon Chin , Xu Mingming , Deng Xuliang , Zhang Xuehui
Published: November 2024

The electrical properties of bone implant scaffolds are a pivotal factor in regulating cellular behavior and promoting osteogenesis. The previous study shows that built‐in electric fields established between electropositive nanofilms and electronegative bone defect walls are beneficial for promoting bone defect healing. Considering that the physiological electrical microenvironment is spatially distributed in 3D, it is imperative to establish a 3D spatial charged microenvironment on bone scaffolds to optimize the efficacy of osseointegration. Nevertheless, this still poses a formidable challenge. Here, a bone repair strategy that utilizes micro‐scale 3D topography is developed on a piezoelectric BaTiO3 (BTO) substrate to provide 3D spatial electrical stimulation. The BTO micropillar arrays, especially with a height of 50 µm and positive‐charge distribution (50 µm positive), promote the spreading, cytoskeletal reorganization, focal adhesion maturation, and osteogenic differentiation of bone marrow mesenchymal stem cells (BMSCs). They enhanced the clustering of mechanosensing integrin α5 in BMSCs. The biomimetic 3D spatial electrical microenvironment accelerated bone repair and osseointegration in a rat femoral diaphysis defect repair model. The study thus reveals that implants with a 3D spatial electrical microenvironment can significantly enhance osseointegration, thereby providing a new strategy to optimize the performance of electroactive biomaterials for tissue regenerative therapies.
Spatial Isoforms Reveal the Mechanisms of Metastasis
Authors: Yin Yin , Wang Yuhao , Yu Xiao , Li Yang , Zhao Yahui , Wang Yanfeng , Liu Zhihua
Published: November 2024

In esophageal squamous cell carcinoma (ESCC), lymph node (LN) metastasis is associated with poor survival. Emerging evidence has demonstrated elevated CD8+ T‐cell levels in metastatic LNs following immunotherapy and increased chemoresistance. However, the underlying regulatory mechanisms of CD8+ T cells in chemoresistant/metastatic patients have not been elucidated. Given that metastasis is linked to aberrant splicing patterns, transcripts with alternative splicing forms also play a critical role. With spatial transcriptomics (ST), spatial isoform transcriptomics (SiT), single‐cell RNA sequencing (scRNA‐seq), and T‐cell receptor (TCR) sequencing, the spatial isoforms are analyzed quantitatively in human solid tumors and LNs. These isoforms are classified according to expression and spatial distribution patterns and proposed that the temporal heterogeneity in isoforms is attributed to isoform biogenesis dynamics. C1QC+ tumor‐associated macrophages (TAMs) contribute to the formation of metastases in the context of both immunotherapy and chemotherapy. Additionally, CD74 isoforms can be targeted by mRNA drugs, such as antisense oligonucleotides (ASOs) and RNA interference (RNAi), to prevent chemoresistance and metastasis. Overall, this work suggests that C1QC+ TAMs interact with CD8+ CXCL13+ Tex cells via enrichment with the CD74 isoform in the ESCC ‘s metastatic lymph node.
Emergent Self‐Adaptation in an Integrated Photonic Neural Network for Backpropagation‐Free Learning
Authors: Lugnan Alessio , Aggarwal Samarth , Brückerhoff‐Plückelmann Frank , Wright C. David , Pernice Wolfram H. P. , Bhaskaran Harish , Bienstman Peter
Published: November 2024

Plastic self‐adaptation, nonlinear recurrent dynamics and multi‐scale memory are desired features in hardware implementations of neural networks, because they enable them to learn, adapt, and process information similarly to the way biological brains do. In this work, these properties occurring in arrays of photonic neurons are experimentally demonstrated. Importantly, this is realized autonomously in an emergent fashion, without the need for an external controller setting weights and without explicit feedback of a global reward signal. Using a hierarchy of such arrays coupled to a backpropagation‐free training algorithm based on simple logistic regression, a performance of 98.2% is achieved on the MNIST task, a popular benchmark task looking at classification of written digits. The plastic nodes consist of silicon photonics microring resonators covered by a patch of phase‐change material that implements nonvolatile memory. The system is compact, robust, and straightforward to scale up through the use of multiple wavelengths. Moreover, it constitutes a unique platform to test and efficiently implement biologically plausible learning schemes at a high processing speed.
Effect of Inhomogeneous Temperature in Chip‐Scale Infrared Thermal Sources: A Revisited Blackbody Radiation Formula with Experimental Validation
Authors: Labib Shady R. , Sabry Yasser M. , Elsayed Ahmed. A. , Marty Frédéric , Bourouina Tarik , Khalil Diaa
Published: November 2024

Miniature and low‐cost light sources are highly desirable for numerous optical microsystems. Among these, devices based on blackbody radiation of a filament heated at a few hundred degrees, perfectly fit with the requirements of producing a broad spectral range falling in the infrared range, owing to Planck's law. These light sources are of primary interest for Fourier transform infrared (FTIR) spectroscopy. Although thermal light production is simple, achieving precise light intensity is not a trivial task. Herein, the impact of the inhomogeneous temperature on the emitted radiation is studied. Blackbody radiation formulae are revisited for miniature sources, taking into account the temperature distribution and using the principle of superposition of non‐coherent sources. A theoretical model is formulated by dividing the source into multiple annular elementary sources of different temperature. This results in effective, corrected blackbody emission. Analytical formulae are derived in the case of a quadratic temperature distribution. For the experimental validation, a silicon‐based source, made of a platinum resistive micro‐heater on top of heavily doped silicon, is fabricated and experimentally characterized at temperatures ranging from 300 to 520 K. The experimental results show good agreement with the model predictions in the explored wavelength range of (λ = 2.5–4.8 µm).
Community Diversity and Dynamics of Fish Assemblages in Lake Kanyaboli, Western Kenya
Authors: Kondowe Benjamin N. , Masese Frank O. , Raburu Phillip O. , Singini Wales , Sitati Augustine , Walumona Riziki Jacques
Published: November 2024

Although Lake Kanyaboli provides a sanctuary for fish species that are considered extinct (e.g., Oreochromis esculentus, Oreochromis variabilis and Haplochromis spp.) in Lake Victoria, comprehensive data on species diversity and abundance are lacking. This study, conducted over a year (February 2020 to February 2021), addressed this gap by assessing the temporal variation in fish diversity, abundance and catch (biomass) in Lake Kanyaboli. The primary fish data collected in the lake were supplemented with secondary data, and physico‐chemical variables were used to correlate with fish assemblages. Fish catches decreased over time from 1981 to 2020, with the highest catch observed in 1981 (250 mt). Fish species composition data showed heterogeneity over the years, ranging from 9 to 15 species. O. esculentus, haplochromines, Oreochromis niloticus, Protopterus aethiopicus and Clarias sp. were present in all the reviewed years (from 1981 to 2020), whereas Coptodon zillii was non‐existent post‐1981 results. The February 2020 to February 2021 survey recorded 14 species dominated by Cichlidae (10 species), whereas Protopteridae and Anabantidae recorded one taxon each. Interestingly, Bagrus sp. was recorded in the current study, suggesting fish movement from the Yala River to the lake. The annual fish catch in the lake comprised tilapias (50%, O. esculentus, O. variabilis, O. niloticus and Oreochromis leucostictus), Clarias sp. (23%), P. aethiopicus (20%), haplochromines (7%), Cyprinids (0.03%) and Anabantidae (0.01%). There were no significant monthly differences in fish abundance and fish catches. The decline in fish catch in Lake Kanyaboli over the years is consistent with most tropical lakes and reservoirs in developing countries due to overexploitation. This study highlights the need for biomonitoring in Lake Kanyaboli to protect its fish population, including the endangered O. esculentus and O. variabilis, and ensure the long‐term sustainability of the ecosystem.
Synthesis of γ‐Alkenylated δ‐Sultones Via Brønsted Base‐Catalyzed Annulative SuFEx Reaction of Allyl Ketones and Ethenesulfonyl Fluorides
Authors: Zhang Qichao , Zhang Fang , Wei Zhihang , Shi Xiangyi , He Lin , Liu Jichang , Du Guangfen
Published: November 2024

A tandem annulation reaction of allyl ketones and β‐aryl ethenesulfonyl fluorides has been described. Under the catalysis of Brønsted base, allyl ketones reacted with β‐aryl ethenesulfonyl fluorides through a tandem intermolecular Michael addition‐intramolecular SuFEx process to afford γ‐alkenylated δ‐sultones in good to excellent yields. In this reaction, no additional base was needed, and 4 Å molecular sieves were used as efficient HF scavenger to restrict the neutralization and deactivation of the Brønsted base catalyst.
Palladium‐Catalyzed, Regio‐/Stereo‐ and Enantiospecific Anti‐Carboxylation of Unactivated Internal Allenes
Authors: Jayadev Nagtilak Prajyot , Rajeshbhai Hirapara Deveen , Mane Manoj V. , Jain Akshat , Kapur Manmohan
Published: November 2024

We report herein a directing group‐controlled, palladium‐catalyzed, regio‐, stereo‐, and enantiospecific anti‐carboxylation of unactivated, internal allenes enabled via the synergistic interplay of a rationally designed bidentate directing group, palladium catalyst, and a multifunctional acetate ligand. The corresponding trans allyl ester was obtained in excellent yields with exclusive δ‐regioselectivity and anti‐carboxypalladation stereocontrol. The acetate ligand of the palladium catalyst controls the regio‐, stereo‐ and enantioselectivity in the desired transformation. The potential of this concept has been demonstrated by the development of the chiral version of this transformation by using axial‐to‐central chirality transfer with good yields and enantioselectivities. Detailed investigations, including kinetic studies, order studies, and DFT studies, were performed to validate the ligand‐assisted nucleopalladation process and the rationale behind the observed racemization of chiral allenes. The studies also indicated that the anti‐carboxypalladation step was the rate‐limiting as well as the stereo‐ and enantiodetermining step.
Screened d‐p Orbital Hybridization in Turing Structure of Confined Nickel for Sulfion Oxidation Accelerated Hydrogen Production
Authors: Zhu Yin , Wang Shao , Chen Yanxu , Zhang Yangyang , Feng Yafei , Zhang Genqiang
Published: November 2024

The sulfion oxidation reaction (SOR) could offer an energy‐efficient and tech‐economically favorable alternative to the oxygen evolution reaction (OER) for H2 production. Transition metal (TM) based catalysts have been considered promising candidates for SOR but suffer from limited activity due to the excessive bond strength from TM‐S2− d‐p orbit coupling. Herein, we propose a feasible strategy of screening direct d‐p orbit hybridization between TM and S2− by constructing the Turing structure composed of lamellar stacking carbon‐confined nickel nanosheets. The optimized p‐p orbit coupling between electron‐injected carbon and S2− enables exceptional catalytic activity and stability for sulfion degradation and energy‐efficient yet value‐added H2 production. Specifically, it achieves a current density of 500 mA cm−2 at an ultralow potential of 0.67 V vs. RHE for alkaline SOR. Theoretical calculations indicate that the electron transfer from Ni imparts metallicity and a higher p‐band center to carbon shells, thereby contributing to optimized p‐p orbit hybridization and a thermodynamically favorable stepwise sulfion degradation. Practically, a two‐electrode flow cell achieves an industrial current density of 1 A cm−2 at an unprecedented low voltage of 0.91 V while maintaining stability for over 300 hours, and exhibits high productivities of 3.83 and 0.32 kg h−1 m−2 for sulfur and H2, respectively.
Stabilization Strategies of Buried Interface for Efficient SAM‐Based Inverted Perovskite Solar Cells
Authors: Yu Xinyu , Sun Xianglang , Zhu Zonglong , Li Zhong'an
Published: November 2024

In recent years, self‐assembled monolayers (SAMs) anchored on metal oxides (MO) have greatly boosted the performance of inverted (p‐i‐n) perovskite solar cells (PVSCs) by serving as hole‐selective contacts due to their distinct advantages in transparency, hole‐selectivity, passivation, cost‐effectiveness, and processing efficiency. While the intrinsic monolayer nature of SAMs provides unique advantages, it also makes them highly sensitive to external pressure, posing a significant challenge for long‐term device stability. At present, the stability issue of SAM‐based PVSCs is gradually attracting attention. In this minireview, we discuss the fundamental stability issues arising from the structural characteristics, operating mechanisms, and roles of SAMs, and highlight representative works on improving their stability. We identify the buried interface stability concerns in three key aspects: 1) SAM/MO interface, 2) SAM inner layer, and 3) SAM/perovskite interface, corresponding to the anchoring group, linker group, and terminal group in the SAMs, respectively. Finally, we have proposed potential strategies for achieving excellent stability in SAM‐based buried interfaces, particularly for large‐scale and flexible applications. We believe this review will deepen understanding of the relationship between SAM structure and their device performance, thereby facilitating the design of novel SAMs and advancing their eventual commercialization in high‐efficiency and stable inverted PVSCs.
Applicable Descriptors under Weak Metal‐Oxygen d–p Interaction for the Oxygen Evolution Reaction
Authors: Fan Fangshi , Lei Bohan , Song Xiaomin , Liang Jiayuan , Cai Weiwei , Zhong Yu , Wu Yongjun , Bao Ningzhong , Zhang Lingjie
Published: November 2024

The oxygen evolution reaction (OER) plays a crucial role in water electrolysis and renewable energy conversion processes. Descriptors are utilized to elucidate the structure‐performance relationships of OER catalytic materials, yet each descriptor exhibits specificity to particular systems. Currently, there is a lack of effective descriptors to describe the relationship between electronic structure and OER performance in ionic systems. This study reveals for the first time that widely used OER descriptors, the d‐band center and charge transfer energy, are limited in their effectiveness for oxide systems dominated by ionic bonds, in which ionic interactions significantly enhance or suppress the catalytic activity. Furthermore, composite descriptors tailored for ionic systems are proposed, with findings extended to complex multi‐component and high‐entropy oxides. The results indicate that the metal d‐band unoccupied states parameter and the active states parameter can serve as effective OER descriptors for ionic catalytic materials. This work addresses the gap in OER descriptors for ionic systems, offering a new theoretical foundation and guidance for the development of efficient OER catalytic materials.
Azopyridine Polymers in Organic Phase Change Materials for High Energy Density Photothermal Storage and Controlled Release
Authors: Liang Rihui , Yuan Bo , Zhang Fei , Feng Wei
Published: November 2024

Azo‐compounds molecules and phase change materials offer potential applications for sustainable energy systems through the storage and controllable release photochemical and phase change energy. Developing novel and highly efficient Azo‐based solar thermal fuels (STFs) for photothermal energy storage and synergistic cooperation with organic phase change materials present significant challenges. Herein, three types of (ortho‐, meta‐, and para‐) azopyridine polymers hinged with flexible alkyl chain are synthesized, in which meta‐azopyridine polymer exhibits striking photothermal storage capacity of 430 J/g, providing a feasibility solution for developing high energy density Azo‐based STFs. Furthermore, a stable two‐phase hybrid system was innovatively constructed by combining the meta‐azopyridine polymer with organic phase change materials leveraging hydrogen bonds and van der Waals interactions to collectively harness phase change energy and photothermal energy. The organic phase change material not only supplies additional phase change latent heat but also serves as a solvent, offering abundant free volume for the photo‐induced isomerization of the azopyridine chromophores, which successfully circumvents the low charging efficiency in the condensed state and reliance on solvent‐assisted charging in traditional Azo‐based STFs. This study demonstrates the energy distribution and utilization for household consumers and the photothermal‐assisted insulation strategy, achieving more extensive potential implementation for STFs.
Flexible ZSM‐5 Zeolite Membrane for High‐Performance Helium Separation
Authors: Deng Yongyan , Qiu Fuxin , Wu Jiaxing , Li Jialu , Li Ziyi , Huang Qinglin , Zhu Guangshan , Zou Xiaoqin
Published: November 2024

Flexible zeolite membranes are promising for scalable and adaptable separation of critical gases such as helium; however, the synthesis of such membranes remains a significant challenge. In this study, we report the successful fabrication of crack‐free ZSM‐5 zeolite membranes on polytetrafluoroethylene (PTFE) supports using a seeded growth method. PTFE‐supported membranes exhibit unprecedented helium permeance of over 6.7×10−7 mol m−2 s−1 Pa−1 and high He/N2 and He/CH4 separation factors of 17 and 83 respectively, surpassing current state‐of‐the‐art membranes. These flexible membranes maintain excellent separation performance even after bending and stretching. Furthermore, large‐scale membranes demonstrate stable helium separation from multicomponent gas mixtures, showcasing their significant potential for practical helium extraction from natural gas.
Interface‐Engineering‐Induced C−C Coupling for C2H4 Photosynthesis from Atmospheric‐Concentration CO2 Reduction
Authors: Du Peijin , Ding Jinyu , Liu Chengyuan , Li Peipei , Liu Wenxiu , Yan Wensheng , Pan Yang , Hu Jun , Zhu Junfa , Li Xiaodong , Chen Qingxia , Jiao Xingchen
Published: November 2024

Producing ethylene (C2H4) from carbon dioxide (CO2) photoreduction under mild conditions is primarily restricted by the difficulty of C−C coupling. Herein, we designed highly active metal atom clusters anchored on semiconductor nanosheets, which established heteroatom sites on the interface to steer C−C coupling, realizing air‐concentration CO2 photoreduction into C2H4 in pure water. As an example, the Pd nanoclusters loaded on ZnO nanosheets are prepared, demonstrated by the X‐ray photoelectron spectroscopy and high‐angle annular dark‐field image. In situ Fourier transform infrared spectroscopy confirms the C−C coupling step over the Pd‐ZnO nanosheets, while quasi in situ X‐ray photoelectron spectroscopy illustrates the active sites of Pd and Zn atoms on the Pd‐ZnO nanosheets during CO2 photoreduction. Density functional theoretical calculations unveil the transition state energy barrier of C−C coupling of CO* and COH* intermediates are only 0.998 eV, hinting the easy C−C coupling to produce C2 fuels. Therefore, the Pd‐ZnO nanosheets realize C2H4 photosynthesis by atmospheric‐concentration CO2 reduction with the formation rate of 1.03 μmol g−1 h−1, while the ZnO nanosheets only acquired the carbon monoxide product.
Transition Metal Anchored Novel Holey Boron Nitride Analogues as Single‐Atom Catalysts for the Hydrogen Evolution Reaction
Authors: Karthikraja Esackraj , Chowdhury Chandra , Nulakani Naga Venkateswara Rao , Ramanujam Kothandaraman , Vaidyanathan V. G. , Subramanian Venkatesan
Published: November 2024

The increasing global energy demand and environmental pollution necessitate the development of alternative, sustainable energy sources. Hydrogen production through electrochemical methods offers a carbon‐free energy solution. In this study, we have designed novel boron nitride analogues (BNyne) and investigated their stability and electronic properties. Furthermore, the incorporation of transition metals (TM) at holey sites in these analogues was explored, revealing their potential as promising electrocatalysts for the hydrogen evolution reaction (HER). The inclusion of transition metals significantly enhances their structural stability and electronic properties. The TM‐anchored BNynes exhibit optimal Gibbs free energy changes (ΔGH) for effective HER performance. Additionally, the favorable alignment of d‐band centers near the Fermi level supports efficient hydrogen adsorption. Machine learning models, particularly the Random Forest model, have also been employed to predict ΔGH values with high accuracy, capturing the complex relationships between material properties and HER efficiency. This dual approach underscores the importance of integrating advanced computational techniques with material design to accelerate the discovery of effective HER catalysts. Our findings highlight the potential of these tailored boron nitride analogues to enhance electrocatalytic applications and improve HER efficiency.
Three‐body confrontation differential game for an aggressive attacker
Authors: Luo Hongbing , Li Kun , Di Jian
Published: November 2024

In this work, we study the three‐body confrontation differential game, in which an Attacker attempts to capture a Target while a Defender guards the latter. We decompose the three‐body game into two subgames based on the game of kind theory: the included angle game and the distance ratio game. By integrating the Apollonius circle with these subgames, we define the semipermeable surface and infer the optimal guidance strategies for the three players on this surface. Unlike existing methods, our method effectively addresses the coupling relationship between the target, defender, and attacker, resulting in greater applicability. Based on the derived semipermeable surface, the conditions for the three players to win the game are also presented. These winning conditions are comprehensively considered from both lines of sight, including the angle and the ratio between the Attacker–Target distance and the Attacker–Defender distance, thereby providing a game solution through an analysis of the players' dynamics. From the perspective of viewing angle ratio, our method bridges the gap in the viewing angle game outcomes compared to existing methods. To demonstrate the effectiveness of our method, we provide simulation examples that illustrate the three‐body confrontation game in various scenarios.
Epigenetic and Immune Profile Characteristics in Sinonasal Undifferentiated Carcinoma
Authors: Ryu Hyang Joo , Lee Chung , Yoon Sun Och
Published: November 2024

Introduction

Sinonasal undifferentiated carcinoma (SNUC) is a rare and highly aggressive malignancy originating in the nasal cavity and paranasal sinuses. Its pathogenesis and immune characteristics remain poorly understood.

Objectives

This study investigates the molecular aspects of SNUC, focusing on tumorigenesis and immunity.

Methods

For this purpose, spatial transcriptome analysis was employed to compare the gene expression profiles of SNUC tumor cells with those of normal epithelial cells, as well as to compare tumor‐infiltrating immune cells with immune cells from normal, tumor‐free tissue areas. For validation, next‐generation sequencing tests and clinical sample studies were conducted.

Results

Spatial transcriptome analysis revealed notable upregulation of EZH2 and the histone family gene such as H3C2 (H3‐clustered histone 2) in SNUC tumor cells. Additionally, gene set enrichment analysis identified significant activations in the histone deacetylase (HDAC) signaling pathway, histone acetyltransferase (HAT) pathway, polycomb repressive complex 2 (PRC2), and DNA methylation pathways. A notable decrease was observed in downregulated genes and pathways, including the mucin family of protein genes, the keratin protein gene, and the mucin glycosylation pathway. Next‐generation sequencing did not reveal specific genetic mutations within these pathways, although mutations such as IDH2 R172S were noted. Clinical SNUC tissues confirmed increased immunoexpression of EZH2 and PRC2 markers. Analysis of tumor immunity revealed a characteristic immune cell signature, with a notable predominance of naïve B cells, macrophages, CD8 memory T cells, and Tregs in the SNUC microenvironment, alongside the increased expression of LAG3 in tumor‐infiltrating immune cells.

Conclusion

Our study suggests epigenetic mechanisms, particularly via EZH2, play a crucial role in SNUC carcinogenesis. Furthermore, distinctive immune cell profiles in SNUC point to potential immune‐related characteristics of this malignancy.
A Facial Motion Retargeting Pipeline for Appearance Agnostic 3D Characters
Authors: Zhu ChangAn , Joslin Chris
Published: November 2024

3D facial motion retargeting has the advantage of capturing and recreating the nuances of human facial motions and speeding up the time‐consuming 3D facial animation process. However, the facial motion retargeting pipeline is limited in reflecting the facial motion's semantic information (i.e., meaning and intensity), especially when applied to nonhuman characters. The retargeting quality heavily relies on the target face rig, which requires time‐consuming preparation such as 3D scanning of human faces and modeling of blendshapes. In this paper, we propose a facial motion retargeting pipeline aiming to provide fast and semantically accurate retargeting results for diverse characters. The new framework comprises a target face parameterization module based on face anatomy and a compatible source motion interpretation module. From the quantitative and qualitative evaluations, we found that the proposed retargeting pipeline can naturally recreate the expressions performed by a motion capture subject in equivalent meanings and intensities, such semantic accuracy extends to the faces of nonhuman characters without labor‐demanding preparations.
Photodynamic Inactivation of Bacteria Using Nickel(II) Complexes with Catecholate and Phenanthroline Ligands
Authors: Devraj Prakashchandra Raval , Rai Rohit , Ali Mandal Arif , Dhar Prodyut , Banerjee Samya , Sarkar Tukki , Nagendra Babu Bathini
Published: November 2024

Metal complexes activated by light can combat infections by triggering the photodynamic inactivation of bacteria. Herein, we report six mixed‐ligand nickel(II) complexes with the formulation [Ni(NN)2(L)] (1–6), where NN represents an N,N‐donor phenanthroline ligand, specifically 1,10‐phenanthroline (phen in 1, 2), dipyrido[3,2‐d:2’,3’‐f]quinoxaline (dpq in 3, 4), and dipyrido[3,2‐a:2’,3’‐c]phenazine (dppz in 5, 6), while L is an O,O donor bidentate ligand derived from catechol (cat2−, in 1, 3, 5) or esculetin (esc2−, in 2, 4, 6). The paramagnetic d8 octahedral complexes demonstrated good dark and photostability in the solution phase and exhibited significant light absorption in the visible (400–700 nm) region. When exposed to low‐energy visible light, these complexes demonstrated significant photodynamic inactivation activity against both Gram‐(+) Staphylococcus aureus (S. aureus) and Gram‐(−) Escherichia coli (E. coli) bacteria. This resulted in minimum inhibitory concentration (MIC) values ranging from 0.31–9.49 μM. The activity was caused by the cell‐damaging singlet oxygen species produced by the complexes under light exposure. Notably, the complexes showed no bacterial inhibition activity under dark conditions. This study marks the first examples of Ni(II) complexes designed for light‐triggered antibacterial activity, illuminating the path for Ni(II)‐based non‐macrocyclic complexes for antibacterial PDT applications.
Improved Oxygen Reduction Reaction Activity of Graphene via Mechanochemical Activation and Halogen‐Doping
Authors: Prado Desiree Mae S. , Li Guangfu , del Rosario Julie Anne D. , Ocon Joey D. , Abel Chuang Po‐Ya
Published: November 2024

There has been an increased effort to replace the expensive and rare platinum and platinum group metals to speed up the sluggish oxygen reduction reaction (ORR) kinetics, which limits the efficiency of fuel cells. One class of promising Pt‐alternative catalysts for ORR is metal‐free halogen‐doped carbon materials. Herein, bromine‐doped and iodine‐doped graphene were synthesized via mechanochemical activation. The synthesized samples exhibited sub‐rounded particles. Mechanical activation via ball milling increased the specific surface area of graphene by reducing particle size. Ball milling also enhanced dopant dispersibility and increased surface roughness, though it reduced surface area compared to ball‐milled graphene, likely due to the size difference between carbon and halogen atoms. Among the synthesized catalysts, iodine‐doped graphene exhibits the highest limiting current density of 1.806 mA cm−2 with the highest ORR onset potential of 0.74 V vs reversible hydrogen electrode (RHE). The iodine‐doped graphene also showed good stability after 1000 cycles of accelerated degradation test. The enhanced ORR performance of iodine‐doped graphene was reached using the optimized iodine‐to‐graphene mass ratio of 4 : 1 after 48 h ball milling time.