bluuebunny/crossref_metadata_2025 huggingface dataset:
Myocardial TRPC6-mediated Zn2+ influx induces beneficial positive inotropy through β-adrenoceptors
Authors: Oda Sayaka , Nishiyama Kazuhiro , Furumoto Yuka , Yamaguchi Yohei , Nishimura Akiyuki , Tang Xiaokang , Kato Yuri , Numaga-Tomita Takuro , Kaneko Toshiyuki , Mangmool Supachoke , Kuroda Takuya , Okubo Reishin , Sanbo Makoto , Hirabayashi Masumi , Sato Yoji , Nakagawa Yasuaki , Kuwahara Koichiro , Nagata Ryu , Iribe Gentaro , Mori Yasuo , Nishida Motohiro
Published: October 2022

Baroreflex control of cardiac contraction (positive inotropy) through sympathetic nerve activation is important for cardiocirculatory homeostasis. Transient receptor potential canonical subfamily (TRPC) channels are responsible for α1-adrenoceptor (α1AR)-stimulated cation entry and their upregulation is associated with pathological cardiac remodeling. Whether TRPC channels participate in physiological pump functions remains unclear. We demonstrate that TRPC6-specific Zn2+ influx potentiates β-adrenoceptor (βAR)-stimulated positive inotropy in rodent cardiomyocytes. Deletion of trpc6 impairs sympathetic nerve–activated positive inotropy but not chronotropy in mice. TRPC6-mediated Zn2+ influx boosts α1AR-stimulated βAR/Gs-dependent signaling in rat cardiomyocytes by inhibiting β-arrestin-mediated βAR internalization. Replacing two TRPC6-specific amino acids in the pore region with TRPC3 residues diminishes the α1AR-stimulated Zn2+ influx and positive inotropic response. Pharmacological enhancement of TRPC6-mediated Zn2+ influx prevents chronic heart failure progression in mice. Our data demonstrate that TRPC6-mediated Zn2+ influx with α1AR stimulation enhances baroreflex-induced positive inotropy, which may be a new therapeutic strategy for chronic heart failure.
In Vivo 7-Tesla MRI Investigation of Brain Iron and Its Metabolic Correlates in Chronic Schizophrenia
Authors: Ravanfar Parsa , Syeda Warda T. , Jayaram Mahesh , Rushmore R. Jarrett , Moffat Bradford , Lin Alexander P. , Lyall Amanda E. , Merritt Antonia H. , Yaghmaie Negin , Laskaris Liliana , Luza Sandra , Opazo Carlos M. , Liberg Benny , Chakravarty M. Mallar , Devenyi Gabriel A. , Desmond Patricia , Cropley Vanessa L. , Makris Nikos , Shenton Martha E. , Bush Ashley I. , Velakoulis Dennis , Pantelis Christos
Published: October 2022

Brain iron is central to dopaminergic neurotransmission, a key component in schizophrenia pathology. Iron can also generate oxidative stress, which is one proposed mechanism for gray matter volume reduction in schizophrenia. The role of brain iron in schizophrenia and its potential link to oxidative stress has not been previously examined. In this study, we used 7-Tesla MRI quantitative susceptibility mapping (QSM), magnetic resonance spectroscopy (MRS), and structural T1imaging in 12 individuals with chronic schizophrenia and 14 healthy age-matched controls. In schizophrenia, there were higher QSM values in bilateral putamen and higher concentrations of phosphocreatine and lactate in caudal anterior cingulate cortex (caCC). Network-based correlation analysis of QSM across corticostriatal pathways as well as the correlation between QSM, MRS, and volume, showed distinct patterns between groups. This study introduces increased iron in the putamen in schizophrenia in addition to network-wide disturbances of iron and metabolic status.
Elaboration of a new framework for fine-grained epidemiological annotation
Authors: Valentin Sarah , Arsevska Elena , Vilain Aline , De Waele Valérie , Lancelot Renaud , Roche Mathieu
Published: October 2022

Event-based surveillance (EBS) gathers information from a variety of data sources, including online news articles. Unlike the data from formal reporting, the EBS data are not structured, and their interpretation can overwhelm epidemic intelligence (EI) capacities in terms of available human resources. Therefore, diverse EBS systems that automatically process (all or part of) the acquired nonstructured data from online news articles have been developed. These EBS systems (e.g., GPHIN, HealthMap, MedISys, ProMED, PADI-web) can use annotated data to improve the surveillance systems. This paper describes a framework for the annotation of epidemiological information in animal disease-related news articles. We provide annotation guidelines that are generic and applicable to both animal and zoonotic infectious diseases, regardless of the pathogen involved or its mode of transmission (e.g., vector-borne, airborne, by contact). The framework relies on the successive annotation of all the sentences from a news article. The annotator evaluates the sentences in a specific epidemiological context, corresponding to the publication date of the news article.
A dataset comprised of binding interactions for 104,972 antibodies against a SARS-CoV-2 peptide
Authors: Engelhart Emily , Emerson Ryan , Shing Leslie , Lennartz Chelsea , Guion Daniel , Kelley Mary , Lin Charles , Lopez Randolph , Younger David , Walsh Matthew E.
Published: October 2022

The dataset presented here contains quantitative binding scores of scFv-format antibodies against a SARS-CoV-2 target peptide collected via an AlphaSeq assay that can be used in the development and benchmarking of machine learning models. Starting from three seed sequences identified from a phage display campaign using a human naïve library, four sets of 29,900 antibodies were designed in silico by creating all k = 1 mutations and random k = 2 and k = 3 mutations throughout the complementary-determining regions (CDRs). Of the 119,600 designs, 104,972 were successfully built in to the AlphaSeq library and target binding was subsequently measured with 71,384 designs resulting in a predicted affinity value for at least one of the triplicate measurements. Data include antibodies with predicted affinity measurements ranging from 37 pM to 22 mM. To our knowledge, this dataset is the largest, publicly available dataset that contains antibody sequences, antigen sequence and quantitative measurements of binding scores and provides an opportunity to serve as a benchmark to evaluate antibody-specific representation models for machine learning.
Copper adorned magnetic nanoparticles as a heterogeneous catalyst for Sonogashira coupling reaction in aqueous media
Authors: Sheikh Safoora , Nasseri Mohammad Ali , Allahresani Ali , Varma Rajender S.
Published: October 2022

A nanomagnetic hydrophilic heterogeneous copper catalyst, termed γ-Fe2O3@PEG@PAMAM G0-Cu, has been successfully prepared and characterized using FT–IR, XRD, FE-SEM, TEM, EDX, mapping, TGA/DTG, VSM and ICP analyses. The catalyst displayed excellent activity for the palladium-free Sonogashira cross coupling reaction of various aryl iodides and bromides with phenylacetylene derivatives in pure water. The presence of polyethylene glycol coupled with hydrophilic character of the Cu-catalyst adorned on γ-Fe2O3 MNPs provides the ready dispersion of the catalyst particles in water, leading to higher catalytic performance as well as facile catalyst recovery via simple magnetic decantation. The recovered catalyst was reused for at least six successive runs with little reduction in its catalytic activity and any noticeable changes in its structure. The use of water as a green solvent, without requiring any additive or organic solvent, as well as the exploitation of abundant and low-cost copper catalyst instead of expensive Pd catalyst along with the catalyst recovery and scalability, make this method favorable from environmental and economic points of view for the Sonogashira coupling reaction.
Imported malaria definition and minimum data for surveillance
Authors: Arisco Nicholas J. , Peterka Cassio , Castro Marcia C.
Published: October 2022

The mobility of malaria-infected individuals poses challenges to elimination campaigns by way of spreading parasite drug resistance, straining country-to-country collaboration, and making routine data collection difficult, especially in resource-poor settings. Nevertheless, no concerted effort has been made to develop a common framework to define the spatial and temporal components of an imported malaria case and recommend the minimum data needed to identify it. We conducted a scoping review of imported malaria literature from 2010 to 2020 which showed that definitions vary widely, and local capabilities of detecting importation are often restricted in low-income countries. Following this, we propose a common definition for imported malaria and the minimum data required to identify a case, depending on the country’s capability of conducting an epidemiological investigation. Lastly, we utilize the proposed definition using data from Brazil to demonstrate both the feasibility and the importance of tracking imported cases. The case of Brazil highlights the capabilities of regular surveillance systems to monitor importation, but also the need to regularly use these data for informing local responses. Supporting countries to use regularly collected data and adopt a common definition is paramount to tackling the importation of malaria cases and achieving elimination goals set forth by the World Health Organization.
Relevance of plasma biomarkers to pathologies in Alzheimer’s disease, Parkinson’s disease and frontotemporal dementia
Authors: Chiu Pai-Yi , Yang Fu-Chi , Chiu Ming-Jang , Lin Wei-Che , Lu Cheng-Hsien , Yang Shieh-Yueh
Published: October 2022

Amyloid plaques and tau tangles are pathological hallmarks of Alzheimer’s disease (AD). Parkinson’s disease (PD) results from the accumulation of α-synuclein. TAR DNA-binding protein (TDP-43) and total tau protein (T-Tau) play roles in FTD pathology. All of the pathological evidence was found in the biopsy. However, it is impossible to perform stein examinations in clinical practice. Assays of biomarkers in plasma would be convenient. It would be better to investigate the combinations of various biomarkers in AD, PD and FTD. Ninety-one subjects without neurodegenerative diseases, 76 patients with amnesic mild cognitive impairment (aMCI) or AD dementia, combined as AD family, were enrolled. One hundred and nine PD patients with normal cognition (PD-NC) or dementia (PDD), combined as PD family, were enrolled. Twenty-five FTD patients were enrolled for assays of plasma amyloid β 1–40 (Aβ1–40), Aβ1–42, T-Tau, α-synuclein and TDP-43 using immunomagnetic reduction (IMR). The results show that Aβs and T-Tau are major domains in AD family. α-synuclein is highly dominant in PD family. FTD is closely associated with TDP-43 and T-Tau. The dominant plasma biomarkers in AD family, PD family and FTD are consistent with pathology. This implies that plasma biomarkers are promising for precise and differential assessments of AD, PD and FTD in clinical practice.
Brain–computer interface to predict impulse buying behavior using functional near-infrared spectroscopy
Authors: Bak SuJin , Jeong Yunjoo , Yeu Minsun , Jeong Jichai
Published: October 2022

As the rate of vaccination against COVID-19 is increasing, demand for overseas travel is also increasing. Despite people’s preference for duty-free shopping, previous studies reported that duty-free shopping increases impulse buying behavior. There are also self-reported tools to measure their impulse buying behavior, but it has the disadvantage of relying on the human memory and perception. Therefore, we propose a Brain–Computer Interface (BCI)-based brain signal processing methodology to supplement these limitations and to reduce ambiguity and conjecture of data. To achieve this goal, we focused on the brain’s prefrontal cortex (PFC) activity, which supervises human decision-making and is closely related to impulse buying behavior. The PFC activation is observed by recording signals using a functional near-infrared spectroscopy (fNIRS) while inducing impulse buying behavior in virtual computing environments. We found that impulse buying behaviors were not only higher in online duty-free shops than in online regular stores, but the fNIRS signals were also different on the two sites. We also achieved an average accuracy of 93.78% in detecting impulse buying patterns using a support vector machine. These results were identical to the people's self-reported responses. This study provides evidence as a potential biomarker for detecting impulse buying behavior with fNIRS.
Impact of somatostatin interneurons on interactions between barrels in plasticity induced by whisker deprivation
Authors: Dobrzanski G. , Zakrzewska R. , Kossut M. , Liguz-Lecznar M.
Published: October 2022

The activity of inhibitory interneurons has a profound role in shaping cortical plasticity. Somatostatin-expressing interneurons (SOM-INs) are involved in several aspects of experience-dependent cortical rewiring. We addressed the question of the barrel cortex SOM-IN engagement in plasticity formation induced by sensory deprivation in adult mice (2–3 months old). We used a spared vibrissa paradigm, resulting in a massive sensory map reorganization. Using chemogenetic manipulation, the activity of barrel cortex SOM-INs was blocked or activated by continuous clozapine N-oxide (CNO) administration during one-week-long deprivation. To visualize the deprivation-induced plasticity, [14C]-2-deoxyglucose mapping of cortical functional representation of the spared whisker was performed at the end of the deprivation. The plasticity was manifested as an extension of cortical activation in response to spared vibrissae stimulation. We found that SOM-IN inhibition in the cortical column of the spared whisker did not influence the areal extent of the cortex activated by the spared whisker. However, blocking the activity of SOM-INs in the deprived column, adjacent to the spared one, decreased the plasticity of the spared whisker representation. SOM-IN activation did not affect plasticity. These data show that SOM-IN activity is part of cortical circuitry that affects interbarrel interactions underlying deprivation-induced plasticity in adult mice.
Mapping human disease-associated enzymes into Reactome allows characterization of disease groups and their interactions
Authors: Savojardo Castrense , Baldazzi Davide , Babbi Giulia , Martelli Pier Luigi , Casadio Rita
Published: October 2022

According to databases such as OMIM, Humsavar, Clinvar and Monarch, 1494 human enzymes are presently associated to 2539 genetic diseases, 75% of which are rare (with an Orphanet code). The Mondo ontology initiative allows a standardization of the disease name into specific codes, making it possible a computational association between genes, variants, diseases, and their effects on biological processes. Here, we tackle the problem of which biological processes enzymes can affect when the protein variant is disease-associated. We adopt Reactome to describe human biological processes, and by mapping disease-associated enzymes in the Reactome pathways, we establish a Reactome-disease association. This allows a novel categorization of human monogenic and polygenic diseases based on Reactome pathways and reactions. Our analysis aims at dissecting the complexity of the human genetic disease universe, highlighting all the possible links within diseases and Reactome pathways. The novel mapping helps understanding the biochemical/molecular biology of the disease and allows a direct glimpse on the present knowledge of other molecules involved. This is useful for a complete overview of the disease molecular mechanism/s and for planning future investigations. Data are collected in DAR, a database that is free for search and available at https://dar.biocomp.unibo.it.
Taguchi grey relational optimization of sol–gel derived hydroxyapatite from a novel mix of two natural biowastes for biomedical applications
Authors: Osuchukwu Obinna Anayo , Salihi Abdu , Abdullahi Ibrahim , Obada David Olubiyi
Published: October 2022

The comparative study of natural hydroxyapatite (NHAp) from bovine (B) and catfish (C) bones using different fabrication parameters has been extensively researched through traditional investigation. However, the quantitative effect optimization of a novel mix proportion of hydroxyapatite from these bones, and fabrication parameters have not been examined. Hence, this study presents the effect of the powder mixture, compaction pressure, and sintering temperature (as production parameters) on the experimental mechanical properties of naturally derived HAp. The bovine bone and catfish bone biowastes were used in mixed proportions to produce hydroxyapatite via the sol–gel synthesis protocol. The powders were calcined separately at 900 °C to convert the deproteinized biowaste. Next, the powders were combined chemically (sol–gel) in the appropriate ratios (i.e. 45 g of B: 15 g of C (B75/C25), 30 g of B: 30 g of C (B50/C50), and 15 g of B; 45 g of C (B25/C75)). Taguchi design supported by grey relational analysis was employed with an L9 orthogonal array. The Minitab 16 software was employed to analyze the Taguchi design. The result revealed an inconsistency in the powder mixture as the optimum state for individual mechanical properties, but the grey relational analysis (GRA) showed better mechanical properties with a powder mix of B50/C50, 500 Pa compaction pressure, and 900 °C sintering temperature. The obtained result further showed that the novel mix of these powders is a good and promising material for high-strength biomedical applications, having a contribution of 97.79% on hardness and 94.39% on compressive strength of HAp. The obtained experimental grey relational grade of 0.7958 is within the 95% confidence interval, according to confirmation analysis (CA). The optimum powder parameter was examined using X-ray diffraction (XRD), and its structure, size, and elemental makeup were examined using scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) analysis. The sample had a higher degree of crystallinity and mean crystallite size of 80.42% and 27.3 nm, respectively. The SEM images showed big, gritty grains that are not tightly packed.
Comparison of genetic susceptibility to lung adenocarcinoma and squamous cell carcinoma in Japanese patients using a novel panel for cancer-related drug-metabolizing enzyme genes
Authors: Ohnami Sumiko , Naruoka Akane , Isaka Mitsuhiro , Mizuguchi Maki , Nakatani Sou , Kamada Fukumi , Shimoda Yuji , Sakai Ai , Ohshima Keiichi , Hatakeyama Keiichi , Maruyama Kouji , Ohde Yasuhisa , Kenmotsu Hirotsugu , Takahashi Toshiaki , Akiyama Yasuto , Nagashima Takeshi , Urakami Kenichi , Ohnami Shumpei , Yamaguchi Ken
Published: October 2022

The differences in genetic susceptibility to lung adenocarcinoma and squamous cell carcinoma remain unclear. We developed a customized, targeted gene sequencing panel for efficient and sensitive identification of germline variants, including whole-gene deletion types for cancer-related drug-metabolizing enzyme genes in lung adenocarcinoma and squamous cell carcinoma. The minor allele frequencies of the variants, confirmed as clinically significant in the Japanese population, did not differ significantly from those of normal participants listed in the public database. Genotype analysis comparing lung adenocarcinoma (n = 559) and squamous cell carcinoma (n = 151) indicated that the variants of DPYD (rs190771411, Fisher’s exact test, P = 0.045; rs200562975, P = 0.045) and ALDH2 (rs568781254, P = 0.032) were associated with an increased risk of squamous cell carcinoma compared to adenocarcinoma. Conversely, whole-gene deletion of CYP2A6 was associated with adenocarcinoma but not squamous cell carcinoma. Notably, whole-gene deletion of CYP2A6 was confirmed in 22 patients with lung adenocarcinoma but not in any patients with squamous cell carcinoma. Most patients with whole-gene deletion of CYP2A6 were female non-smokers. The discovery of a whole-gene deletion of CYP2A6 in patients with lung adenocarcinoma may have an important role in clinical practice and advance our understanding of CYP2A6 germline variants and their association with carcinogenesis or their susceptibility to lung adenocarcinoma.
Growth mechanism of nano-plates structured SnS films on different substrates in glancing angle deposition method
Authors: Sazideh M. R. , Ehsani M. H. , Shahidi M. M. , Rezagholipour Dizaji H.
Published: October 2022

In this work, Tin (II) sulfide films have been deposited on glass, Indium Tin Oxide, and Fluorinated Tin Oxide substrates at the deposition angles of 0º, 65º, and 85º using Physical Vapor Deposition method equipped with Glancing Angle Deposition technique. Based on the results obtained from the X-ray diffraction technique, the crystalline structure of substrates and the angle of depositions along with their effects on the structure of SnS nano-plates have been investigated. Using Raman analysis, the phonons lifetime of the samples was found to change with the type of substrate and the employed deposition angle. Based Energy-dispersive X-ray spectroscopy analysis, the atomic ratio of Sn to S was observed to change with the change of deposition angle, substrate type and variation the diameter of nano-plates. This phenomenon resulted the formation of the second phase of Sn2S3 which was confirmed by Raman and X-ray diffraction patterns. The nano-sheets-like growth of all the samples has been confirmed using Felid Emission Scanning Electron Microscopy analysis. For further morphological studies, the Atomic Force Microscopy analysis has been applied, by which the direct relation between the substrate roughness and the final structure of the samples has been observed. The relation between the substrate roughness and the deposition angle in the growth process of SnS nano-sheets has been explained.
High-speed photonic neuromorphic computing using recurrent optical spectrum slicing neural networks
Authors: Sozos Kostas , Bogris Adonis , Bienstman Peter , Sarantoglou George , Deligiannidis Stavros , Mesaritakis Charis
Published: October 2022

Neuromorphic computing using photonic hardware is a promising route towards ultrafast processing while maintaining low power consumption. Here we present and numerically evaluate a hardware concept for realizing photonic recurrent neural networks and reservoir computing architectures. Our method, called Recurrent Optical Spectrum Slicing Neural Networks (ROSS-NNs), uses simple optical filters placed in a loop, where each filter processes a specific spectral slice of the incoming optical signal. The synaptic weights in our scheme are equivalent to the filters’ central frequencies and bandwidths. Numerical application to high baud rate optical signal equalization (>100 Gbaud) reveals that ROSS-NN extends optical signal transmission reach to > 60 km, more than four times that of two state-of-the-art digital equalizers. Furthermore, ROSS-NN relaxes complexity, requiring less than 100 multiplications/bit in the digital domain, offering tenfold reduction in power consumption with respect to these digital counterparts. ROSS-NNs hold promise for efficient photonic hardware accelerators tailored for processing high-bandwidth (>100 GHz) optical signals in optical communication and high-speed imaging applications.
Comment on “Real-time atomistic simulation of the Ostwald ripening of TiO2 supported Au nanoparticles” by B. Zhu, R. Qi, L. Yuan and Y. Gao, Nanoscale, 2020, 12, 19142
Authors: Zhdanov Vladimir P.
Published: October 2022

Using Monte Carlo simulations (MCS) in combination with an analytical model for the metal–metal interaction with the parameters based on density functional theory (DFT), Zhu, Qi, Yuan, and Gao predicted that the Ostwald ripening of Au nanoparticles on TiO2 occurs primarily via the detachment and attachment of Au dimers. I show that this and some other predictions are not properly validated because the parameters employed in the analytical model in order to describe the Au–Au interaction are in fact inconsistent both with DFT and experimental thermodynamical data.
Correction: Interrogating cardiac muscle cell mechanobiology on stiffness gradient hydrogels
Authors: Chin Ian L. , Hool Livia , Choi Yu Suk
Published: October 2022

Correction for ‘Interrogating cardiac muscle cell mechanobiology on stiffness gradient hydrogels’ by Ian L. Chin et al., Biomater. Sci., 2021, 9, 6795–6806, https://doi.org/10.1039/D1BM01061A.
Collision-induced torque mediates the transition of chiral dynamic patterns formed by active particles
Authors: Hiraiwa Tetsuya , Akiyama Ryo , Inoue Daisuke , Kabir Arif Md. Rashedul , Kakugo Akira
Published: October 2022

The authors theoretically investigated chiral dynamic self-organization caused by collision-induced torque and compared it with that caused by self-propelled torque.
Applications of covalent chemistry in targeted protein degradation
Authors: Lu Dong , Yu Xin , Lin Hanfeng , Cheng Ran , Monroy Erika Y. , Qi Xiaoli , Wang Meng C. , Wang Jin
Published: October 2022

This review summarizes the recent work of covalent chemistry in targeted protein degradation and describes the concept, pros and cons, development, and the outlook of covalent PROTACs.
Comparative elemental characterization of atmospheric fine and coarse PM samples by PIXE and ICP-MS/MS: results from a one-year measurement campaign in a coal-powered thermal power plant city
Authors: Dawood Abdallah Munır Abdallah , Lucarelli Franco , Arı Akif , Can Emre , Ertürk Arı Pelin , Döğeroğlu Tuncay , Gaga Eftade O.
Published: October 2022

Method matters! Precise elemental characterization of PM is crucial to air quality studies. Here, we compared the elemental concentrations of fine and coarse PM, quantified by both PIXE and ICP-MS/MS in a thermal power plant affected city.
Sulfur incorporation into NiFe oxygen evolution electrocatalysts for improved high current density operation
Authors: Wang Jiaying , Barforoush Joseph M. , Leonard Kevin C.
Published: October 2022

This work shows that S incorporation into FeNi catalysts leads to high current density performance due to the availability of vacant sites under OER conditions.
Preparation of porous biochar and its application in supercapacitors
Authors: Ding Mingtao , Ma Ziwen , Su Hao , Li Ye , Yang Kuo , Dang Lianfa , Li Fangfei , Xue Bing
Published: October 2022

In this study, economical porous biochar was prepared from an apricot shell and used as an electrode material for a supercapacitor, showing excellent capacitance, cycling stability and rate performance.
Achieving higher thermoelectric performance of n-type PbTe by adjusting the band structure and enhanced phonon scattering
Authors: Wu Wei , Zhu Chen , Ming Hongwei , Chen Tao , Li Di , Qin Xiaoying , Zhang Jian
Published: October 2022

A large ZT ≈ 1.58 is achieved for an n-type Pb0.97Sb0.03Te-based composite due to a 1.63 times increase in the power factor and 40% decrease of lattice thermal conductivity, which is realized through incorporating Cu12Sb4S13 nanoparticles.
Catalytically active silver nanoparticles stabilized on a thiol-functionalized metal–organic framework for an efficient hydrogen evolution reaction
Authors: Muhamed Shamna , Aparna Ravari Kandy , Karmakar Arun , Kundu Subrata , Mandal Sukhendu
Published: October 2022

Nearly monodispersed Ag nanoparticles of variable sizes were anchored on a post-synthetically modified thiol-functionalized NU-1000 metal–organic framework, which exhibited very good activity in the hydrogen evolution reaction.
New tertiary amine-derived C2-symmetric chiral pyridine-N,N′-dioxide ligands and their applications in asymmetric catalysis
Authors: Liu Ren-Ming , Wang Yu-Heng , Chen Zi-Yue , Zhang Lei , Shi Qing-Hui , Zhou Ying , Tian You-Ping , Liu Xiong-Li
Published: October 2022

Developing efficient methods for preparing privileged chiral ligands is an important endeavor in synthetic chemistry.
Formation of exceptional monomeric YPhos–PdCl2complexes with high activities in coupling reactions
Authors: Rodstein Ilja , Kelling Leif , Löffler Julian , Scherpf Thorsten , Sarbajna Abir , Andrada Diego M. , Gessner Viktoria H.
Published: October 2022

Ylide-substituted phosphines form monomer, air-stable PdCl2complexes which feature a unique bonding situation between the metal and the phosphine and ylide donor and exhibit high efficiencies as precatalysts in C–C and C–X cross-coupling reactions.
Correlations between experiments and simulations for formic acid oxidation
Authors: Bagger Alexander , Jensen Kim D. , Rashedi Maryam , Luo Rui , Du Jia , Zhang Damin , Pereira Inês J. , Escudero-Escribano María , Arenz Matthias , Rossmeisl Jan
Published: October 2022

Electrocatalytic conversion of formic acid oxidation to CO2 and the related CO2 reduction to formic acid represent a potential closed carbon-loop based on renewable energy.
Tuning iron spin states in single-atom nanozymes enables efficient peroxidase mimicking
Authors: Wei Xiaoqian , Song Shaojia , Song Weiyu , Wen Yating , Xu Weiqing , Chen Yifeng , Wu Zhichao , Qin Ying , Jiao Lei , Wu Yu , Sha Meng , Huang Jiajia , Cai Xiaoli , Zheng Lirong , Hu Liuyong , Gu Wenling , Eguchi Miharu , Asahi Toru , Yamauchi Yusuke , Zhu Chengzhou
Published: October 2022

Spin-state engineering was proposed to enhance the peroxidase-like activity of single-atom nanozymes through the electron-withdrawing properties of Pd nanoclusters, which facilitates the heterolysis process of H2O2 and the desorption of H2O.
High-precision laser spectroscopy of H2S for simultaneous probing of multiple-sulfur isotopes
Authors: Chaillot Justin , Dasari Sanjeev , Fleurbaey Hélène , Daeron Mathieu , Savarino Joël , Kassi Samir
Published: October 2022

The simultaneous monitoring of the triple stable S-isotopes (32S, 33S and 34S) of hydrogen sulfide has been conducted with a VCOF-CRDS set-up (a V-shaped cavity for optical feedback coupled to a cavity ring down spectrometer).
Semi‐Paired Semi‐Supervised Deep Hashing for cross‐view retrieval
Authors: Wang Yi , Shen Xiaobo , Tang Zhenmin , Zhang Ming
Published: October 2022

Due to its fast computational speed and low storage cost, hashing has been effectively applied to large‐scale multimedia retrieval tasks, such as medical video and security video retrieval. Most existing cross‐view hashing methods require good matching information, however, this exact pairing relationship is difficult to fully realise in practice. The association between views is incomplete, as is the label information. This task of missing paired and labelled information is very challenging, but less explored in research. In this study, a semi‐supervised semi‐paired deep hashing for large‐scale data is proposed, named Semi‐Paired Semi‐Supervised Deep Hashing (SPSDH) to solve this challenging task. SPSDH is a novel end‐to‐end deep neural network model with high‐order affinity. A non‐local higher‐order affinity measure that better considers the multimodal neighbourhood structure is proposed. A common representation to associate different modalities is introduced, which combined with the labelled information greatly maintains the consistency within the modalities. SPSDH is evaluated on three benchmark datasets for large‐scale cross‐view approximate nearest neighbour search and compared with several state‐of‐the‐art hashing methods. Extensive experimental results demonstrate the superior performance of our proposed SPSDH in semi‐supervised semi‐paired retrieval tasks.
Frequency‐to‐voltage converter based dual‐loop phase‐locked loop with variable phase locking capability
Authors: Saifullah Z. M. , Furth Paul M. , Pakala SriHarsh , Roman‐Loera Alejandro
Published: October 2022

A novel frequency‐to‐voltage converter based phase‐locked loop (PLL) is proposed to overcome the inability of a frequency‐to‐voltage converter based frequency‐locked loop to lock phase. The proposed dual‐loop PLL adds variable phase‐locking capability, such that the phase locking angle can vary from 0–360°. The additional variable phase‐locking can be applied in data communication in the form of phase modulation. The design is targeted for a 0.5‐μm CMOS process. The proposed design generates a 480 MHz clock from a reference clock of 15 MHz. In simulation, the proposed PLL locks within 3.56 μs while consuming 1.61 mW of power.
Analysis of time‐frequency characteristic parameters of electromagnetic interference sources in the basic commutation unit
Authors: Hao Bin , Peng Cheng , Tang Xinling , Zhao Zhibin
Published: October 2022

Establishing accurate electromagnetic interference (EMI) sources of the basic commutation unit is the key to accurately predicting the EMI of the converter equipment. To compensate for the insufficiency of the reported works, that is to use asymmetric trapezoidal waveforms (ATW) as common mode (CM) and differential mode (DM) EMI sources, this paper analyzed the switching transient process of insulated gate bipolar transistor (IGBT) device in the basic commutation unit, and then proposed the equivalent waveform of EMI sources with multi‐polylines‐damped oscillation waveform (MP‐DOW). The spectrum envelop characteristic parameters of MP‐DOW were obtained by the frequency domain analysis method, and its correctness was experimentally verified. Comparison with the reported works shows that the proposed spectrum envelope of MP‐DOW can take into account the voltage and current overshoot during the switching transients of IGBT devices, and the spectrum characteristic parameters are more accurate. This paper is beneficial to the prediction of EMI for the converter already in operation, and can also provide theoretical guidance for the converter to be designed in conjunction with the analytical formula of the EMI source.
Channel scintillations of array global navigation satellite system receiver under distributed intermittent interferences
Authors: Wang Jie , Liu Wenxiang , Ou Gang , Xiao Wei , Wang Haibin , Dong Tianbao
Published: October 2022

Non‐stationary interferences are parts of the global navigation satellite system (GNSS) threats; this paper focusses on the impact of intermittent interferences on the baseband processing of the array GNSS receiver. We call the jitters of channel response caused by distributed intermittent interferences as channel scintillations. The inevitability of the channel scintillations under intermittent interferences was illustrated first. Then, the characteristics of channel scintillations were analysed through theory analysis and simulations. Finally, the impact of channel scintillations on the receiver baseband processing was assessed. The results show that though the intermittent interferences power can be suppressed completely by the anti‐jamming filter, the phase lock loop may lose lock due to channel scintillations.
Staggered Setting of Latissimus Dorsi and Serratus Anterior Flaps for the Treatment of Scalp Avulsions: A Retrospective Study
Authors: Liu Jiaxi , Zhang Juan , Song Baoqiang
Published: October 2022

Although the incidence of scalp avulsion has decreased in recent years, it remains a major concern among plastic surgeons. We therefore aimed to introduce an improved free flap technique for repairing scalp avulsion with less tissue from the donor site. This method can achieve maximum primary closure of the donor site and improve its appearance and function as well as reduce the donor-site morbidity by ensuring that a smaller free flap can completely cover the scalp defect. Eight patients with scalp avulsion who had undergone staggered placement of the free flaps were evaluated. Data on the age, cause of scalp avulsion, scalp defect size, degree of avulsion, postoperative complications, and follow-up duration were analyzed. The postoperative evaluation criteria were donor-site sensation, latissimus dorsi muscle strength, upper extremity function, and quality of life. Patients' mean age was 38.7 years. The main cause of scalp avulsion was occupation-related accidents. The mean scalp defect size and postoperative follow-up duration were 26 cm × 20.4 cm and 41.5 months, respectively. One patient developed flap congestion postoperatively. The wounds at the recipient site healed well in all patients. There was no significant difference in the sensation between the surgical and nonsurgical sides. However, the latissimus dorsi muscle strength significantly differed between both sides. The mental component score, which was used to assess quality of life, did not significantly differ between the patients and healthy population, whereas the physical component score significantly differed between the two groups. None of the included patients had severe upper extremity functional limitation. Staggered placement of free flaps achieved maximum primary closure of the donor site and greater scalp avulsion defect coverage with less tissue excised from the donor site. Importantly, donor-site appearance improved and some donor-site functions were preserved postoperatively.
Quantitative similarities between the banjo and a diverse collection of West African lutes
Authors: Fulwood Ethan L.
Published: October 2022

The banjo entered world musical culture through the ingenuity of communities of enslaved Africans in the Caribbean. The banjo is rooted within the lute-playing traditions of West Africa, where several remarkably banjo-like instruments and playing styles exist today. The banjo is a creation of the Black diaspora, however, and has no obvious single ancestor among extant West African lutes. Understanding the relative similarities between extant West African lutes and the gourd banjo may shed light on the cultural context of banjo origins. This study examines structural similarities between the gourd banjo and 61 West African lutes using two quantitative approaches for measuring and representing similarity among entities (UGPMA and NeighborNet). The banjo groups with a cluster of lutes from peoples in the Senegambia region speaking Bakic languages, which includes the Jola ekonting, an instrument that has garnered considerable recent attention as a banjo relative, but also shows similarities to lutes from the Niger Basin. This suggests that the relatively egalitarian social context of lute playing seen in Bakic language-speaking cultures may have been especially influential on the development of the banjo among enslaved populations in the Caribbean, but that the banjo draws on heterogeneous cultural influences and that more attention should be paid to the influence of eastern Sahel musical cultures on the evolution of the instrument.
The future of quantum computing with superconducting qubits
Authors: Bravyi Sergey , Dial Oliver , Gambetta Jay M. , Gil Darío , Nazario Zaira
Published: October 2022

For the first time in history, we are seeing a branching point in computing paradigms with the emergence of quantum processing units (QPUs). Extracting the full potential of computation and realizing quantum algorithms with a super-polynomial speedup will most likely require major advances in quantum error correction technology. Meanwhile, achieving a computational advantage in the near term may be possible by combining multiple QPUs through circuit knitting techniques, improving the quality of solutions through error suppression and mitigation, and focusing on heuristic versions of quantum algorithms with asymptotic speedups. For this to happen, the performance of quantum computing hardware needs to improve and software needs to seamlessly integrate quantum and classical processors together to form a new architecture that we are calling quantum-centric supercomputing. In the long term, we see hardware that exploits qubit connectivity in higher than 2D topologies to realize more efficient quantum error correcting codes, modular architectures for scaling QPUs and parallelizing workloads, and software that evolves to make the intricacies of the technology invisible to the users and realize the goal of ubiquitous, frictionless quantum computing.
Identification and differentiation between olive oil from different Al Jouf olive field areas by optical spectroscopic techniques
Authors: Khedr Amal Abdelfattah , Imam Hisham , Alhajoj Abdullah M. , El-Hussein Ahmed
Published: October 2022

Identification and determination of the authenticity of the produced oliveoil by potential spectroscopic techniques have become of nutritional importance to human diet. The study of olive oil is significantly important in trade and business due to the commercial fraud that occurs in the associated business. Al Jouf city, which lies in the northern part of the Kingdom of Saudi Arabia, is famous for its production of the finest quality of olive oil in the kingdom. There is a need to develop feasible in situ identification techniques for the recognition of and discrimination between different olive oil products. One main laser spectroscopic technique known for its superiority over other conventional techniques as an elemental analytical tool is laser induced breakdown spectroscopy (LIBS). Inductive couple plasma mass spectrometry is also a well-known conventional technique with very high sensitivity to most of the elements to the range of parts per billion. However, it requires extensive sample preparation and consumes a lot of time. It has been used as a reference technique to validate the results of the LIBS technique. Moreover, phenolic compounds, which are essential in various types of functional food and folk medicine, were investigated using conventional vibrational analytical tools such as Fourier transform infrared spectroscopy.
Volume-matched piezoelectric LaN/REN superlattices from first-principles
Authors: Yang Xiaoqing , Su Tianhao , Hu Minglang , Li Yongchang , Gao Heng , Jia Fanhao , Fang Le , Chen Yangyang , Zhou Bin , Su Haijun , Bellaiche L. , Ren Wei
Published: October 2022

LaN/rare earth nitride (REN) superlattices, having magnetic REN as one of the parent components, are constructed and studied by first-principles calculations. In particular, they are found to be mechanically and dynamically stable with (anti-)ferromagnetic and ferroelectric orderings. We reveal that the volume matching condition is applicable to these superlattices, which results in the elastic constant C33 softening and, when combined with a small c/a value, induces a huge piezoelectric response near the unstrained state. We also show that in-plane biaxial strain can precisely control the nature (indirect or direct) and value of the electronic bandgap. Moreover, the unpaired magnetically active 4f-electrons reduce the c-direction off-centric distortion of the wurtzite structure, making possible the switching of the ferroelectric polarization. This work, therefore, reveals that the volume matching condition also applies to magnetic materials and provides guidance for the design of multiferroic rare-earth nitride superlattices in piezoelectric devices.
Experimental study on the transmission characteristics of near-field detonation noise into water
Authors: Qiang Wei , Li Ning , Kang Yang , Huang Xiao-long , Li Can , Liu Wei , Shao Xin-ke , Weng Chun-sheng
Published: October 2022

To study the transmission characteristics of near-field detonation noise into water, the detonation noise transmission system is built on a laboratory-scale water tank using a detonation tube with a diameter of 30 mm. The interaction of the detonation gas jet with the air–water interface, the development of the cavity, and the growth of the liquid column are experimentally observed by a high-speed camera. The spectral distribution characteristics of detonation noise above and below the interface are recorded by a microphone, a hydrophone, and an underwater blast sensor. Analysis of the experimental images shows that the size of the cavity increases with increasing filling pressure and decreases with increasing nozzle height. By normalizing the evolution time of the cavity with the cavity lifetime, it is concluded that the time for the cavity to develop to the deepest is about 0.27, independent of the filling pressure. The pressure field data analysis results show that the main frequencies of the detonation sound waves are 100 and 400 Hz, and the frequency distribution has nothing to do with the filling pressure. Through the defined acoustic wave energy transmission coefficient, it is demonstrated that the detonation acoustic wave transmission coefficient decreases with the increase in the frequency, and the shock wave transmission coefficient decreases with the increase in the angle.
On the effect of flow regime and pore structure on the flow signatures in porous media
Authors: Vasheghani Farahani Mehrdad , Mousavi Nezhad Mohaddeseh
Published: October 2022

In this study, lattice Boltzmann method (LBM) is utilized for three-dimensional simulation of fluid flow through two porous structures, consisting of grains with the same diameter: (i) a homogeneous porous domain, in which the grains are placed with a simple cubic packing configuration, and (ii) a randomly packed porous domain. An ultra-fine mesh size is considered to perform the simulations in three orders of magnitude of Reynolds number (Re), covering laminar to turbulent flow regimes, and capture different flow signatures. Pore velocity fields are derived, and their sample probability density functions (PDF) are analyzed vs time to investigate the dynamics of the flow. The analysis of the PDFs clearly shows that stagnant zones play a significant role in the formation of the pore flow fields, manifested by multimodal PDFs, and the distribution of the velocities in porous media at various Re cannot be characterized by a single PDF model regardless of the pore structure. While the velocities at the stagnant regions and in the vicinity of the solid boundaries are primarily affected by the viscous forces and exhibit a power-law PDF at different Re, the velocities in the main (preferential) flow pathways away from the boundaries are shown to be influenced by the inertial forces, hence having an exponential PDF when Re is low. At high Re, however, depending on the tortuosity of the porous structure, the velocities may exhibit an exponential or even Laplace PDF.
When is a hydrophobic gate not a hydrophobic gate?
Authors: Seiferth David , Biggin Philip C. , Tucker Stephen J.
Published: October 2022

The flux of ions through a channel is most commonly regulated by changes that result in steric occlusion of its pore. However, ion permeation can also be prevented by formation of a desolvation barrier created by hydrophobic residues that line the pore. As a result of relatively minor structural changes, confined hydrophobic regions in channels may undergo transitions between wet and dry states to gate the pore closed without physical constriction of the permeation pathway. This concept is referred to as hydrophobic gating, and many examples of this process have been demonstrated. However, the term is also now being used in a much broader context that often deviates from its original meaning. In this Viewpoint, we explore the formal definition of a hydrophobic gate, discuss examples of this process compared with other gating mechanisms that simply exploit hydrophobic residues and/or lipids in steric closure of the pore, and describe the best practice for identification of a hydrophobic gate.
Single Step Electrosynthesis of Co-Ferrite Thin Films from Alkaline Non-Aqueous Bath
Authors: Kale M R
Published: October 2022

Electrosynthesis in a single step was used to obtain high-quality Co-ferrite thin films from an alkaline non-aqueous bath at room temperature. Several preparative parameters were optimized to obtain smooth and adherent Co-ferrite thin films. From XRD studies, cubic crystal formation was confirmed. IR studies confirmed spinel structure formation in Co-ferrite thin films. From SEM and AFM studies, smooth, uniform, and compact film formation was observed. From magnetic measurements, the value of saturation magnetization was (304 emu/cm3) obtained it is in good agreement with that of bulk value.
Template assisted green synthesis of nickel oxide nanoparticles for photocatalytic applications
Authors: Nimisha OK , Mary A P Reena , Ramanarayanan Rajita
Published: October 2022

Nickel oxide nanomaterials are a highly researched class of magnetic nanomaterials showing tremendous applications in catalysis, sensing, batteries, solar cells and magnetic devices. This work shows the green synthesis of nickel oxide nanoparticles using vermicelli as template and black tea as reducing agent. The obtained product was analysed by XRD, UV and SEM measurements. The sample showed good photocatalytic behaviour when tested under solar cell illumination in the degradation of Methylene Blue dye. Further the nanosheet morphology of the material has potential to be used in energy generation and storage applications.