bluuebunny/crossref_metadata_2025 huggingface dataset:
Data-driven deep generative design of stable spintronic materials
Authors: Siriwardane Edirisuriya M. Dilanga , Zhao Yong , Hu Jianjun
Published: September 2023

A computational framework that integrates generative adversarial networks and machine learning classifiers to enable the discovery of novel magnetic materials.
Different flavors of exact-factorization-based mixed quantum-classical methods for multistate dynamics
Authors: Villaseco Arribas Evaristo , Vindel-Zandbergen Patricia , Roy Saswata , Maitra Neepa T.
Published: September 2023

Coupled electron–ion dynamics via the exact factorization approach gives improved mixed quantum classical methods due to trajectory-coupling.
Theoretical insights into the catalytic mechanism of propylene hydroformylation over Co–N–C materials
Authors: Chen Yifei , Zhu Yanan , Dou Huaiqiang , Gong Hao
Published: September 2023

The structure–activity relationship for propylene hydroformylation over five Co–N–C models.
Surface lattice resonances enhanced directional amplified spontaneous emission on plasmonic honeycomb nanocone array
Authors: Wu Dongda , Wang Yi , Xiao Jiamin , Hu Jiang , Zhao Xuchao , Gao Yuhao , Yuan Jiazhi , Wang Wenxin
Published: September 2023

A directionally amplified spontaneous emission is achieved on a tip-featured nanocone array of honeycomb lattice with dye molecules. Its iso-frequency properties of the 1st Brillouin zone are collected by a homemade momentum-space imaging system.
Dose-dependent binding behavior of anthraquinone derivative purpurin interacting with tau-derived peptide protofibril
Authors: Wu Xiaoxiao , Zhu Lili , Wang Gang , Zhang Qingwen , Qian Zhenyu
Published: September 2023

The octamer is identified as the minimal stable nucleus of PHF6 protofibril oligomers. Purpurin exhibits different coupling states. Contacts per purpurin with the octamer follows a power law, potentially indicating ligand binding efficiency.
Removal of hazardous diethyl phthalate released from plastics using mesoporous graphitic carbon nitride boosted with ferrocene (Fc/g-C3N4) under visible light
Authors: Bashiri Mohammad , Hosseini-Sarvari Mona , Gu Yanlong , Zheng Dengyue
Published: September 2023

The modification of the structure and surface of graphitic carbon nitride (g-C3N4) with transition organo-metallic compounds for photocatalytic applications has been expanded in recent years.
Observation of protonation-induced intra-molecular metal-to-metal charge transfer in cyano-bridged [Fe–CN–Mn/Ni] dinuclear complexes
Authors: Jia Shuwen , Zhu Xinrui , Li Dongfeng
Published: September 2023

The possibility of external stimulus induced intra-molecular metal-to-metal charge transfer by protonation in [(bbp)Fe(CN)3Mn(Py5Me2)]·2.5CH3OH and [(bbp)Fe(CN)3Ni(Py5Me2)]·2.5CH3OH molecules was investigated.
Electrocatalytic hydrogen evolution by a dinuclear copper complex and mechanistic elucidation through DFT studies
Authors: Raj Manaswini , Makhal Koushik , Raj Dev , Mishra Aman , Mallik Bhabani S. , Padhi Sumanta Kumar
Published: September 2023

A dinuclear copper catalyst was synthesized and employed for electrocatalytic proton reduction. At an applied potential of −1.9 V vs. SCE, a faradaic efficiency of 93% was afforded. DFT studies revealed that it follows a concerted PCET path.
Understanding the impact of catholyte flow compartment design on the efficiency of CO2 electrolyzers
Authors: Filippi Michael , Möller Tim , Liang Liang , Strasser Peter
Published: September 2023

Catholyte flow compartment design impacts the CO2RR product selectivity by influencing gas bubble transport and local pH. According to the hydrodynamic volcano model, an optimal catholyte fluid velocity enables the highest CO2 reduction selectivity.
Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif
Authors: Fang Lingyi , Zhang Yuyan , Cai Yaohang , Zhang Jing , Wei Yuefang , Yuan Yi , Wang Peng
Published: September 2023

A triple-helicene-based organic semiconductor was synthesized, with excellent solution-processability and exceptionally high glass temperature. This material excels as a heat-resistant hole transporter in perovskite solar cells.
Green-light wavelength-selective organic solar cells for agrivoltaics: dependence of wavelength on photosynthetic rate
Authors: Jinnai Seihou , Shimohara Naoto , Ishikawa Kazunori , Hama Kento , Iimuro Yohei , Washio Takashi , Watanabe Yasuyuki , Ie Yutaka
Published: September 2023

We report on the design and synthesis of new electron-accepting π-conjugated molecules containing cyclopentene-annelated thiophene with a spiro-substituted 2,7-bis(2-ethylhexyl)fluorene unit as a green-light wavelength-selective nonfullerene acceptor for use in agrivoltaics.
Effects of dietary polyphenols on maternal and fetal outcomes in maternal diabetes
Authors: Zhao Lu , Chang Qing , Cong Zhangzhao , Zhang Yalin , Liu Zhuxi , Zhao Yuhong
Published: September 2023

The incidences of short-term or long-term adverse maternal and fetal outcomes caused by maternal diabetes are increasing.
Effect of chewing ability on in vivo oral digestive characteristics and in vitro gastrointestinal starch hydrolysis of three different types of cooked rice
Authors: Yang Hui , Hou Yingying , Pan Yujie , Zhang Tingting , Meng Qi , Han Jianzhong , Liu Weilin , Qu Daofeng
Published: September 2023

Chewing ability and rice variety can influence bolus properties, which in turn affects the gastric emptying and the degree of starch hydrolysis during digestion.
Speciation of potential-dependent fouling on copper foil electrodes during electrochemical hydrogenation and hydrogenolysis of furfural in strong acid
Authors: May Andrew S. , Biddinger Elizabeth J.
Published: September 2023

Electrode fouling can occur during furfural electroreduction to desired polymer intermediates and fuel additives in acidic electrolytes. The fouled material speciation is potential-dependent and can be mitigated by using lower concentrations of furfural.
Electrochemical N-acylation and N-α-ketoacylation of sulfoximines via the selective decarboxylation and dehydration of α-ketoacids
Authors: Kang Chen , Li Mingzhe , Huang Wenxiu , Wang Shoucai , Peng Mengyu , Zhao Longqiang , Jiang Guangbin , Ji Fanghua
Published: September 2023

We describe an electrochemical N-acylation and N-α-ketoacylation of sulfoximines via the selective decarboxylation and dehydration of α-ketoacids using electricity as a “traceless” oxidant and α-ketoacid as a selective “acyl” or “α-ketoacyl” source.
Development of a perfusable, hierarchical microvasculature-on-a-chip model
Authors: Chen Sophia W. , Blazeski Adriana , Zhang Shun , Shelton Sarah E. , Offeddu Giovanni S. , Kamm Roger D.
Published: September 2023

In this study, we have created a multi-compartmental model replicating a hierarchical vascular bed by combining two methods for vessel-on-chip preparation: viscous finger patterning and self-assembled vascular networks.
Synthesis, characterization, biological evaluation, DFT and molecular docking studies of (Z)-2-((2-bromo-4-chlorophenyl)imino)methyl)-4-chlorophenol and its Co(ii), Ni(ii), Cu(ii), and Zn(ii) complexes
Authors: Waziri Ibrahim , Masena Hlonepho M. , Yusuf Tunde L. , Coetzee Louis-Charl C. , Adeyinka Adedapo S. , Muller Alfred J.
Published: September 2023

An equimolar reaction of 5-chlorosalicylaldehyde and 2-bromo-4-chloroaniline yielded the Schiff base (Z)-2-((2-bromo-4-chlorophenyl)imino)methyl)-4-chlorophenol) (HL), which was used for complexation to Co2+, Ni2+, Cu2+, and Zn2+metal salts.
Palladium immobilized on guanidine functionalized magnetic nanoparticles: a highly effective and recoverable catalyst for ultrasound aided Suzuki–Miyaura cross-coupling reactions
Authors: Hegde Sumanth , Nizam Aatika , Vijayan Ajesh , Dateer Ramesh B. , Krishna Suresh Babu Naidu
Published: September 2023

The Fe3O4@SiO2-TCT-Gua-Pd catalyst anchored with guanidine moiety on Fe3O4 nanoparticles was synthesised for Suzuki–Miyaura cross coupling reaction.
Cobalt(ii) terpyridine complexes: synthesis, characterization, antiproliferative activity and molecular docking with proteins and DNA
Authors: Chen Min , Sun Dameng , Li Jiahe , Wang Zhiyuan , Liu Hongming , Pan Lixia , Chen Hailan , Ma Zhen
Published: September 2023

Nine Co(ii)-terpyridine complexes were synthesized and their anticancer activity was investigated. Their interaction with DNA has been experimentally and computationally studied.
Spin–orbit charge transfer intersystem crossing and thermal activation delayed fluorescence (TADF) studies of compact orthogonal anthraquinone phenothiazine derivatives
Authors: Lv LingLing , Yuan Kun , Zhao TianYu , Li HuiXue , Wang DongMei
Published: September 2023

Thermally activated delayed fluorescence (TADF) in compact electron donor–acceptor dyads has attracted great attention due to their potential application in organic light-emitting diodes.
Calcium-catalyzed dehydrative allylation of P-ylides and sequential Wittig reaction for streamlined access to versatile 1,4-dienes
Authors: Li Xiaohong , Zhang Dong , Wang Yan , Xiao Shiji , Wu Ying , Xie Peizhong , Loh Teck-Peng
Published: September 2023

Calcium-catalyzed dehydrative allylation of P-ylides with allylic alcohols and sequential Wittig reaction for streamlined access to versatile 1,4-dienes.
Multisubstituted naphthalene synthesis from 4-hydroxy-2-pyrones through [4+2] cycloaddition with o-silylaryl triflates
Authors: Numata Koyo , Tabata Shinya , Kobayashi Akihiro , Yoshida Suguru
Published: September 2023

An efficient synthetic method for multisubstituted naphthalenes from 4-hydroxy-2-pyrones through cycloaddition with aryne intermediates is disclosed.
Enhanced ORR performance to electrochemical lignin valorization in a mixture of ionic liquid/organic solvent binary electrolytes
Authors: Jiang Haomin , Li Ang , Sun Yanzhi , Wang Lei , Chen Yongmei
Published: September 2023

Only 4 kinds of small molecule aromatic aldehydes and ketones observe after lignin electrochemical conversion, which demonstrates better selectivity in cleavage of the ether bonds attacked by superoxide radicals through controlling ORR in the binary electrolyte [BMIM]BF4/CH3CN.
Probing room-temperature reactivity of H2S, SO2, and NO on the Li2MnO3 crystal surface by experimental and first-principles studies
Authors: Rajput Kaptan , Hernández-Fontes Carlos , Gupta Nishesh Kumar , Mehta Bijal R. , Achary Srungarpu N. , Viltres Herlys , Pfeiffer Heriberto , Roy Debesh R. , Kim Kwang Soo
Published: September 2023

Chemisorption of H2S, SO2, and NO gas (100 ppm) over Li2MnO3 at room temperature.
Tribochemical mechanisms of abrasives for SiC and sapphire substrates in nanoscale polishing
Authors: Luo Qiufa , Lu Jing , Jiang Feng , Lin Jiaming , Tian Zige
Published: September 2023

Material removal mechanisms of abrasives for SiC and sapphire in nanoscale polishing.
Engineering endosomolytic nanocarriers of diverse morphologies using confined impingement jet mixing
Authors: Pagendarm Hayden M. , Stone Payton T. , Kimmel Blaise R. , Baljon Jessalyn J. , Aziz Mina H. , Pastora Lucinda E. , Hubert Lauren , Roth Eric W. , Almunif Sultan , Scott Evan A. , Wilson John T.
Published: September 2023

Confined impingement jet (CIJ) mixing was utilized to fabricate pH-responsive endosomolytic polymeric nanocarriers. Manipulation of polymer and formulation properties facilitated the production of multiple nanocarriers with distinct characteristics.
Unveiling sub-bandgap energy-level structures on machined optical surfaces based on weak photo-luminescence
Authors: Yang Dinghuai , Zhao Linjie , Cheng Jian , Chen Mingjun , Liu Henan , Wang Jinghe , Han Chengshun , Sun Yazhou
Published: September 2023

Based on the laser wavelength dependence of the photo-luminescence properties on fused silica surfaces, a sub-bandgap energy-level structure containing defect energy levels is unveiled for the first time.
Regulation of the electronic structure of a RuNi/MoC electrocatalyst for high-efficiency hydrogen evolution in alkaline seawater
Authors: Fan Xiaocheng , Li Bei , Zhu Chunling , Yan Feng , Chen Yujin
Published: September 2023

RuNi/MoC heterojunction catalyst was used for efficient and stable alkaline seawater electrolysis. The Ru and Ni sites of the heterojunction catalyst have the best suitable adsorption energy for hydrogen and water, respectively, which synergistically reduces the energy barrier of HER.
Metal and catalyst-free strategy to access 1,3-thio-heteroaryl BCP derivatives
Authors: Gupta Surbhi , Srinivasu Vinjamuri , Sureshkumar Devarajulu
Published: September 2023

A metal and photocatalyst-free strategy to synthesize thio-BCP derivatives, which serve as crucial precursors for the formation of the corresponding sulfoxides, sulfones, and sulfoximines with potential for large-scale applications is reported.
Hydroxyl covalent organic frameworks integrated on functionalized graphene for enhanced electrochemical energy storage
Authors: Cui Di , Xie Wei , Zhang Shuran , Jiang Nan , Xu Yanhong , Su Zhongmin
Published: September 2023

a-rGO@TD-COFs were obtained by in situ growth of a TAPT-DHTA-COF with a hydroxyl group on the surface of graphene.
Supramolecular alternating copolymers with highly efficient fluorescence resonance energy transfer
Authors: Chakraborty Anwesha , Das Pradipta Kumar , Jana Biman , Ghosh Suhrit
Published: September 2023

This article reports alternating supramolecular copolymerization of two naphthalene-diimide (NDI)-derived building blocks (NDI-1 and NDI-2) under thermodynamic control.
Asymmetric Friedel−Crafts reaction of unsaturated carbonyl-tethered heteroarenes via vinylogous activation of Pd0-π-Lewis base catalysis
Authors: Jiang Bo , Gui Wu-Tao , Wang Hao-Tian , Xie Ke , Chen Zhi-Chao , Zhu Lei , Ouyang Qin , Du Wei , Chen Ying-Chun
Published: September 2023

A variety of deactivated heteroarenes tethered to an unsaturated carbonyl motif can participate in asymmetric Friedel–Crafts reactions with diverse electrophilic reagents catalysed by a chiral Pd0-complex.
Flow measurement for CCUS applications
Authors: Zhdaneev O. V. , Zaitsev A. V.
Published: September 2023

The capture and utilization of CO2 gas are high on the global climate agenda today.
Linking Clinic With Classroom in Intensive Focused Preservice Education on Augmentative and Alternative Communication
Authors: Kim Sojung , Choe Yu-kyong
Published: September 2023

Purpose:

This article reports a pilot study that combined clinical training and academic instruction in a graduate-level augmentative and alternative communication (AAC) course. The authors aim to (a) provide a detailed description of the AAC course and (b) present preliminary data regarding the graduate students' perception on the AAC course and their own competencies in AAC.

Method:

Forty-three graduate students completed an intensive focused course that included AAC fieldwork (i.e., direct clinical service and caregiver training) as well as academic content. In delivering the clinical and academic content, the course instructor followed the principles of problem-based learning. During their final semester in the graduate program, the students completed a survey regarding the AAC course and their self-efficacy in AAC services.

Results:

Thirty-eight among the 43 students perceived that the AAC fieldwork, embedded into the AAC course, made them feel competent or strongly competent. The entire 43 respondents listed the AAC fieldwork as the component that they liked in the AAC course. When students were asked about their self-efficacy in AAC services at three different time points (i.e., before taking the AAC course, after taking the AAC course, and at the time of the survey), their ratings were significantly higher for after taking the AAC course and at the time of the survey, compared to before taking the course.

Conclusion:

This study suggests the significance of compulsory fieldwork embedded in the AAC training as evidenced by the graduate students' subjective perception of competence and preparedness in AAC services following the AAC course.
Deep learning‐based methods for detecting defects in cast iron parts and surfaces
Authors: Wang Pengyu , Jing Peng
Published: September 2023

The large size tolerance and positional differences of burrs in cast iron blanks make it easy for traditional teaching polishing paths to cause overcutting or undercutting. Rapid and accurate identification of burrs and real‐time correction of polishing trajectories are key technical issues for achieving high‐precision polishing. Here, a deep learning‐based method for defect detection in cast iron parts and surfaces is proposed. Firstly, a self‐made dataset of cast iron parts and surface defects is created and annotated, and a variety of data augmentation methods are used to expand the number of samples in the original dataset, alleviating the problem of small sample size. Then, the coordinate attention mechanism is introduced into the backbone network to allocate more attention to the defect target. Finally, the bidirectional weighted feature pyramid network (BiFPN) is used in the feature fusion network to replace the original path aggregation network, improving the model's ability to fuse features of different sizes. Experimental results show that compared with the original model, the mean average precision (mAP) is increased by 3.1%, and the average precision (AP) in defect classification is increased by 7.6%, with an FPS of 112, achieving accurate and efficient real‐time detection of cast iron parts and surface defects.
Robust dynamic and algebraic state estimation for microgrids: A generalized approach
Authors: Pourkeivani Iraj , Abedi Mehrdad , Kouhsari Shahram Montaser , Yaqoubi Kazem , Fahimi Ali
Published: September 2023

Network control, optimization, and security analysis are facilitated by accurate microgrid state estimation. By utilizing phasor measurement units (PMUs), a combined robust centralized dynamic algebraic approach is proposed in this paper for estimating algebraic states (voltage phasors) as well as dynamic states (associated with synchronous generators and wind turbines). Assuming that a load is placed on each bus, an innovative PMU placement method is also presented to provide measurements for all dynamic and algebraic state variables. As a robust link between algebraic state estimation and dynamic state estimation, the output results of the least absolute value (LAV) estimator, which is robust against bad data, are fed to dynamic state estimators as pseudo measurements. Next, to address the nonlinearity of synchronous generator and wind turbine models, an unscented Kalman filter (UKF) is applied to estimate dynamic states precisely. The numerical tests on a microgrid test system show that the suggested approach is suitable for both algebraic and dynamic state estimation. Synchronous generators and wind turbines are modeled using nonlinear models of the 9th and third orders, respectively, and static loads are modeled as voltage‐frequency dependent ones.
Joint antenna selection and beamforming for frequency diverse multiple‐input multiple‐output radar in mainlobe spectrum interferences and signal‐dependent interferences coexistence scenarios
Authors: Shao Xiaolang , Hu Taiyang , Zhang Jinyu , Xiao Zelong
Published: September 2023

Due to the controllable degrees of freedom of frequency diverse array in the distance dimension, the frequency diverse multiple‐input multiple‐output (FDA‐MIMO) radar can easily deal with mainlobe interference, which is often difficult to solve in traditional phased arrays. Nevertheless, the performance of FDA‐MIMO radar will suffer from degradation in the scenario where spectrum interferences and signal‐dependent interferences coexist. In order to solve this problem, a novel FDA‐MIMO radar framework via antenna switching is proposed. Based on this framework, an effective method for jointly optimising antenna selection and beamforming against spectrum interferences and signal‐dependent interferences is developed. The resulting optimization problem is nonconvex and NP‐hard owing to the integer constraints caused by antenna selection. By relaxing the integer constraints, the original problem can be transformed into a convex optimization form and an iterative reweighting strategy is used to force the obtained solution to satisfy the integer constraints. Simulation examples show that the proposed algorithm has better performance in output signal‐to‐interference‐plus‐noise ratio (SINR) and beampattern radiation performance than the existing competitive methods.
Investigating the effects of uniaxial pressure on the preparation of MgTiO3–CaTiO3 ceramic capacitors for MRI systems
Authors: Jebri Zaineb , Taleb Ali Mahfoudh , Bord Majek Isabelle
Published: September 2023

Today's healthcare system relies on magnetic resonance imaging (MRI) for early diagnosis and treatment planning. For open MRI systems to achieve resolutions of about a hundred microns, a high voltage is required, as well as a specialized power supply. Negative–positive–zero (NP0) ceramic is selected for the fabrication of adjustable capacitors. Specifically, it stands for which is a classification based on the temperature coefficient of capacitance (TCC) of the ceramic material used in the capacitor. NP0 capacitors have a TCC of 0 ±30 ppm/°C, which means that their capacitance value does not change significantly with temperature and frequency. They are known for their stability and low losses, making them ideal for applications that require high accuracy and reliability, such as timing circuits for radio frequency (RF) applications. Here, MgTiO3–CaTiO3 ceramic is used to make an adjustable capacitor with desired properties for MRI systems. To enhance the dielectric properties of MgTiO3 ceramics, CaTiO3 was added in varying concentrations. After pressing and sintering, the resulting samples were tested using a vector network analyzer in the frequency range of 10–130 MHz. The adjustable capacitor fabricated using high co‐fired NP0 ceramic may have been used for MRI applications such as tuning circuits and matching networks, where precise capacitance values and low loss are critical. MRI systems with resonance frequencies of 128 MHz require trimmers with ceramic cores (VBreakdown = 3 kV @ 128 MHz, Cmin = 3 pF, CMax = 30 pF, and Cvariation step = 1.5 pF).
Bayesian radio interferometric imaging with direction-dependent calibration
Authors: Roth Jakob , Arras Philipp , Reinecke Martin , Perley Richard A. , Westermann Rüdiger , Enßlin Torsten A.
Published: September 2023

Context.Radio interferometers measure frequency components of the sky brightness, modulated by the gains of the individual radio antennas. Due to atmospheric turbulence and variations in the operational conditions of the antennas, these gains fluctuate. Thereby the gains do not only depend on time, but also on the spatial direction on the sky. To recover high-quality radio maps, an accurate reconstruction of the direction and time-dependent individual antenna gains is required.

Aims.This paper aims to improve the reconstruction of radio images, by introducing a novel joint imaging and calibration algorithm including direction-dependent antenna gains.

Methods.Building on the resolve framework, we designed a Bayesian imaging and calibration algorithm utilizing the image domain gridding method for numerically efficient application of direction-dependent antenna gains. Furthermore, by approximating the posterior probability distribution with variational inference, our algorithm can provide reliable uncertainty maps.

Results.We demonstrate the ability of the algorithm to recover high resolution high dynamic range radio maps from VLA data of the radio galaxy Cygnus A. We compare the quality of the recovered images with previous work relying on classically calibrated data. Furthermore, we compare the results with a compressed sensing algorithm also incorporating direction-dependent gains.

Conclusions.Including direction-dependent effects in the calibration model significantly improves the dynamic range of the reconstructed images compared to reconstructions from classically calibrated data. Compared to the compressed sensing reconstruction, the resulting sky images have a higher resolution and show fewer artifacts. For utilizing the full potential of radio interferometric data, it is essential to consider the direction dependence of the antenna gains.
Stability and instability of strange dwarfs
Authors: Di Clemente Francesco , Drago Alessandro , Char Prasanta , Pagliara Giuseppe
Published: September 2023

Aims. More than 20 years ago, the existence of stable white dwarfs with a core of strange quark matter was proposed. More recently, via the study of radial modes, it has been concluded instead that such objects are unstable. We aim to clarify this issue.

Methods. We investigated the stability of these objects by looking at their radial oscillations while incorporating boundary conditions at the quark–hadron interface, which correspond to either a rapid or a slow conversion of hadrons into quarks.

Results. Our analysis shows that objects of this type are stable if the star is not strongly perturbed and ordinary matter cannot transform into strange quark matter because of the Coulomb barrier separating the two components. On the other hand, ordinary matter can be transformed into strange quark matter if the star undergoes a violent process, as in the preliminary stages of a type Ia supernova, and this causes the system to become unstable and collapse into a strange quark star. In this way, the accretion-induced collapse of strange dwarfs can be facilitated, and kilometre-sized objects with sub-solar masses can be produced.
Local characterisation of biomagnetic materials
Authors: Asenjo Agustina
Published: September 2023

Magnetic materials offer attractive applications in biomedicine with a variety of applications from sensors to diagnosis and treatment. Special attention deserves the nanofeature elements as the nanostructured surfaces or the nanoparticles that have been proposed as alternatives for drug delivery vectors, bactericide treatments, lab-on-a-chip sensors, hyperthermiabased cancer therapy, magnetic bio-separation or emerging magnetic resonance imaging (MRI) contrast agents.
Pathogenese der Schizophrenie(n)
Authors: Yakimov Vladislav , Falkai Peter , Wagner Elias
Published: September 2023

Bei Schizophrenie(n) handelt es sich um eine psychische Störung, die
sowohl auf phänomenologischer als auch auf neurobiologischer Ebene durch
ausgeprägte Heterogenität gekennzeichnet ist. Deren
diagnostische Entflechtung würde zu einer präziseren Behandlung
und Verbesserung der Prognose bei Menschen mit Schizophrenie führen.
Hierfür benötigt man ein tieferes Verständnis
über die pathophysiologischen Mechanismen der Schizophrenie(n).
Decagram-Scale Synthesis of N-{2-[4-(β-d-Glucopyranosyloxy)-2-methylphenyl]-1,1-dimethyl-2-oxoethyl}-3-methylthiophene-2-carboxamide (GPTC), a Metabolite of the Fungicide Isofetamid
Authors: Jang Hongjun , Kwak Soo Yeon , Baek Seung-Hoon , Lee Dongjoo , Kim Hyoungsu , Kim Young Hoon , Han Jae-hyuk , Park Youngjik
Published: September 2023

A decagram-scale synthesis of N-{2-[4-(β-d-glucopyranosyloxy)-2-methylphenyl]-1,1-dimethyl-2-oxoethyl}-3-methylthiophene-2-carboxamide (GPTC), a metabolite of the fungicide isofetamid, has been achieved in a highly straightforward manner from the known compound 1-(4-hydroxy-2-methylphenyl)-2-methylpropan-1-one in eight steps with a 20% overall yield to provide a standard certified reference material for residue analysis in food.
Role of Computed Tomography and Magnetic Resonance Imaging in the Diagnosis of Coronary Artery Disease: Indications and Applications
Authors: Bhatia Mona , Kumar Parveen
Published: September 2023

Coronary artery disease (CAD) is the leading cause of death worldwide. The diagnosis of CAD relies on the clinical history, electrocardiographic changes, and imaging findings. The available imaging methods include transthoracic echocardiography, computed tomography (CT), cardiac magnetic resonance (CMR) imaging, and invasive angiography. Over the last two decades, cardiac CT and CMR have emerged as promising noninvasive modalities in the assessment of patients with suspected and established CAD. Both the modalities have their own advantages and disadvantages which complement each other in comprehensive evaluation of CAD aiding in the diagnosis, guiding clinical decision-making, and improving risk stratification. In this article, we provide an overview of the techniques and clinical applications of cardiac CT and CMR imaging in the assessment of patients with CAD.
Fatty Liver Disease: Pathophysiology and Imaging Features
Authors: Maheshwari Sharad , Kumar Sachin , Nakshiwala Bharatbhai V. , Srivastav Ayush , Chavan Vinaya , Raut Abhijit , Maheshwari Anoushka
Published: September 2023

Fatty liver is a benign condition to start with and is characterized by excess triglyceride in the hepatocytes. However, in the long term, it can lead to increased oxidative stress & inflammation, with resultant steatohepatitis. This can subsequently progress to cirrhosis and eventually an increased risk of developing hepatocellular carcinoma (HCC). Liver biopsy is the gold standard for quantification of fat and assessing the degree of fibrosis, however, it is invasive and cannot be applied to a wider patient population. Conventional modalities like ultrasound offer a qualitative assessment of fat and are more subjective. Non-enhanced CT scan has been effectively used for fat quantification based on Hounsfield values. MRI & more recently MRI PDFF (proton density fat fraction) offers accurate diagnosis, quantification, and monitoring of fatty liver disease in a noninvasive manner. This acts like an Imaging biomarker. Newer techniques like USG Elastography & MR Elastography help in the detection of fibrosis. Steatohepatitis and early liver fibrosis are reversible and it is crucial to detect and quantify to guide disease management. The radiologist can play a vital role in quantifying fat, detecting fibrosis, and early signs of chronic liver disease.
Genetic Predisposition to Adverse Neurodevelopmental Outcome of Extremely Low Birth Weight Infants
Authors: Varner Michael W. , Thom Elizabeth A. , Cotten C. Michael , Hintz Susan R. , Page Grier P. , Rouse Dwight J. , Mercer Brian M. , Costantine Maged M. , Sorokin Yoram , Thorp John M. , Ramin Susan M. , Carpenter Marshall W. , O'Sullivan Mary J. , Peaceman Alan M. , Saade George R. , Dudley Donald J. , Caritis Steve N. ,   for the Eunice Kennedy Shriver National Institute of Child Health Human Development Maternal-Fetal Medicine Units Network Neonatal Research Network
Published: September 2023

Objective This study aimed to evaluate whether there are genetic variants associated with adverse neurodevelopmental outcomes in extremely low birth weight (ELBW) infants.

Study Design We conducted a candidate gene association study in two well-defined cohorts of ELBW infants (<1,000 g). One cohort was for discovery and the other for replication. The discovery case–control analysis utilized anonymized DNA samples and evaluated 1,614 single-nucleotide polymorphisms (SNPs) in 145 genes concentrated in inflammation, angiogenesis, brain development, and oxidation pathways. Cases were children who died by age one or who were diagnosed with cerebral palsy (CP) or neurodevelopmental delay (Bayley II mental developmental index [MDI] or psychomotor developmental index [PDI] < 70) by 18 to 22 months. Controls were survivors with normal neurodevelopment. We assessed significant epidemiological variables and SNPs associated with the combined outcome of CP or death, CP, mental delay (MDI < 70) and motor delay (PDI < 70). Multivariable analyses adjusted for gestational age at birth, small for gestational age, sex, antenatal corticosteroids, multiple gestation, racial admixture, and multiple comparisons. SNPs associated with adverse neurodevelopmental outcomes with p < 0.01 were selected for validation in the replication cohort. Successful replication was defined as p < 0.05 in the replication cohort.

Results Of 1,013 infants analyzed (452 cases, 561 controls) in the discovery cohort, 917 were successfully genotyped for >90% of SNPs and passed quality metrics. After adjusting for covariates, 26 SNPs with p < 0.01 for one or more outcomes were selected for replication cohort validation, which included 362 infants (170 cases and 192 controls). A variant in SERPINE1, which encodes plasminogen activator inhibitor (PAI1), was associated with the combined outcome of CP or death in the discovery analysis (p = 4.1 × 10−4) and was significantly associated with CP or death in the replication cohort (adjusted odd ratio: 0.4; 95% confidence interval: 0.2–1.0; p = 0.039).

Conclusion A genetic variant in SERPINE1, involved in inflammation and coagulation, is associated with CP or death among ELBW infants.

Key Points
Car enthusiasm during the second and fourth waves of COVID-19 pandemic
Authors: Suchanek Michał , Szmelter-Jarosz Agnieszka
Published: September 2023

This paper investigates the car enthusiasm of Polish residents during the second and fourth waves of the pandemic. We try to answer if the car enthusiasm has changed between October 2020 and October 2021. Furthermore, we looked into the attitudes and beliefs of respondents about transport modes and their use, their perceived quality of life, and their opinions about sustainability and ecological lifestyle. We use a computer-assisted web interview (CAWI) survey in two rounds (October 2020 and October 2021). For data analysis, a structural equation modeling (SEM) model was proposed. We observe important changes in car enthusiasm between those two waves of the pandemic. Firstly, car enthusiasm was higher in 2021 than in 2020. Secondly, it was positively correlated with the ecological orientation of respondents. Thirdly, Y-generation respondents were less car enthusiastic. Fourthly, the influence of life quality on car enthusiasm was stronger in the fourth pandemic wave than during the second one.
Local projections on Einstein–Podolsky–Rosen states
Authors: Huang Siendong
Published: September 2023

The nonlocality of Einstein–Podolsky–Rosen (EPR) states is discussed in the framework of Weyl algebras. To include all possible limits of expectation values, the associated canonical cyclic representations of EPR states are considered. The momentum and position operators of individual particles do not exist in such representations, which explains the uncertainty principle in these cases. However, there are still one-to-one correspondences between the local Weyl operators associated with individual particles. The local observable algebras of individual particles are Type II1 von Neumann algebras and have numerous projection operators. The states obtained by applying local projection operations to the EPR states have perfect correlations between local subalgebras. Bell’s inequality is maximally violated by these states. The lack of atomic projections of Type II1 von Neumann algebras implies that the EPR states cannot be disentangled by local projection operations.
An integrable model of a planar tri-atomic molecule
Authors: Iwai Toshihiro
Published: September 2023

A model of a planar tri-atomic molecule is presented, which is integrable in the Born–Oppenheimer adiabatic approximation. The molecular Hamiltonian is the sum of a nuclear vibrational energy operator and an electronic Hamiltonian, where vibrations of nuclei are defined to be motions with vanishing total angular momentum in the center-of-mass system, and where the electronic Hamiltonian is assumed to be a traceless 2 × 2 Hermitian matrix defined on Ṙ3, the shape space of the planar three-body system. Once an eigenvalue of the electronic Hamiltonian is chosen, vibrational-electronic interaction is introduced through covariant differential operators acting on sections of the eigen-line bundle associated with the chosen eigenvalue. The Hamiltonian for nuclear motion coupled with electronic state is then described in terms of these covariant differential operators together with the chosen eigenvalue as a potential for nuclear motion. The eigenvalues of the nuclear Hamiltonian are evaluated for bound states. In the case that vibrational-electronic interaction is restricted to small vibrational-electronic one around a symmetric configuration of the nuclei, a remark is made on a relation to a well-known Hamiltonian describing the dynamic Jahn–Teller effect for a planar tri-atomic molecule X3.
CO2-mineralization and carbonation reactor rig: Design and validation for in situ neutron scattering experiments—Engineering and lessons learned
Authors: Mortazavi Ali , Song Fu , Dudman Michael , Evans Michael , Copcutt Robert , Romanelli Giovanni , Demmel Franz , Farrar David H. , Parker Stewart F. , Tian Kun V. , Di Tommaso Devis , Chass Gregory A.
Published: September 2023

CO2 mineralization via aqueous Mg/Ca/Na-carbonate (MgCO3/CaCO3/Na2CO3) formation represents a huge opportunity for the utilization of captured CO2. However, large-scale mineralization is hindered by slow kinetics due to the highly hydrated character of the cations in aqueous solutions (Mg2+ in particular). Reaction conditions can be optimized to accelerate carbonation kinetics, for example, by the inclusion of additives that promote competitive dehydration of Mg2+ and subsequent agglomeration, nucleation, and crystallization. For tracking mineralization and these reaction steps, neutron scattering presents unprecedented advantages over traditional techniques for time-resolved in situ measurements. However, a setup providing continuous solution circulation to ensure reactant system homogeneity for industrially relevant CO2-mineralization is currently not available for use on neutron beamlines. We, therefore, undertook the design, construction, testing and implementation of such a self-contained reactor rig for use on selected neutron beamlines at the ISIS Neutron and Muon Source (Harwell, UK). The design ensured robust attachment via suspension from the covering Tomkinson flange to stabilize the reactor assembly and all fittings (~25 kg), as well as facilitating precise alignment of the entire reactor and sample (test) cell with respect to beam dimension and direction. The assembly successfully accomplished the principal tasks of providing a continuous flow of the reaction mixture (~500 mL) for homogeneity, quantitative control of CO2 flux into the mixture, and temperature and pressure regulation throughout the reaction and measurements. The design is discussed, with emphasis placed on the reactor, including its geometry, components, and all technical specifications. Descriptions of the off-beamline bench tests, safety, and functionality, as well as the installation on beamlines and trial experimental procedure, are provided, together with representative raw neutron scattering results.
Resistive switching localization by selective focused ion beam irradiation
Authors: Ghazikhanian Nareg , del Valle Javier , Salev Pavel , El Hage Ralph , Kalcheim Yoav , Adda Coline , Schuller Ivan K.
Published: September 2023

Materials displaying resistive switching have emerged as promising candidates for implementation as components for neuromorphic computing. Under an applied electric field, certain resistive switching materials undergo an insulator-to-metal transition through the formation of a percolating filament, resulting in large resistance changes. The location and shape of these filaments are strongly influenced by hard-to-control parameters, such as grain boundaries or intrinsic defects, making the switching process susceptible to cycle-to-cycle and device-to-device variation. Using focused Ga+ ion beam irradiation, we selectively engineer defects in VO2 and V2O3 thin films as a case study to control filament formation. Using defect pre-patterning, we can control the position and shape of metallic filaments and reduce the switching power significantly. A greater than three orders of magnitude reduction of switching power was observed in V2O3, and a less than one order of magnitude reduction was observed in VO2. These experiments indicate that selective ion irradiation could be applied to a variety of materials exhibiting resistive switching and could serve as a useful tool for designing scalable, energy efficient circuits for neuromorphic computing.
Generation of direct current electrical fields as regenerative therapy for spinal cord injury: A review
Authors: Matter Lukas , Harland Bruce , Raos Brad , Svirskis Darren , Asplund Maria
Published: September 2023

Electrical stimulation (ES) shows promise as a therapy to promote recovery and regeneration after spinal cord injury. ES therapy establishes beneficial electric fields (EFs) and has been investigated in numerous studies, which date back nearly a century. In this review, we discuss the various engineering approaches available to generate regenerative EFs through direct current electrical stimulation and very low frequency electrical stimulation. We highlight the electrode–tissue interface, which is important for the appropriate choice of electrode material and stimulator circuitry. We discuss how to best estimate and control the generated field, which is an important measure for comparability of studies. Finally, we assess the methods used in these studies to measure functional recovery after the injury and treatment. This work reviews studies in the field of ES therapy with the goal of supporting decisions regarding best stimulation strategy and recovery assessment for future work.
Pressure-induced evolution of stoichiometries and electronic structures of host–guest Na–B compounds
Authors: Guo Zixuan , Li Xing , Bergara Aitor , Ding Shicong , Zhang Xiaohua , Yang Guochun
Published: September 2023

Superionic and electride behaviors in materials, which induce a variety of exotic physical properties of ions and electrons, are of great importance both in fundamental research and for practical applications. However, their coexistence in hot alkali-metal borides has not been observed. In this work, we apply first-principles structure search calculations to identify eight Na–B compounds with host–guest structures, which exhibit a wide range of building blocks and interesting properties linked to the Na/B composition. Among the known borides, Na-rich Na9B stands out as the composition with the highest alkali-metal content, featuring vertex- and face-sharing BNa16 polyhedra. Notably, it exhibits electride characteristics and transforms into a superionic electride at 200 GPa and 2000 K, displaying unusual Na atomic diffusion behavior attributed to the modulation of the interstitial anion electrons. It demonstrates semiconductor behavior in the solid state, and metallic properties associated with Na 3p/3s states in the superionic and liquid regions. On the other hand, B-rich NaB7, consisting of a unique covalent B framework, is predicted to exhibit low-frequency phonon-mediated superconductivity with a Tc of 16.8 K at 55 GPa. Our work advances the understanding of the structures and properties of alkali-metal borides.
Verification of spinwave excitation in coaxial gyromagnetic nonlinear transmission lines
Authors: Deng G. J. , Wang D. H.
Published: September 2023

The knowledge of physical mechanism of microwave generation in coaxial gyromagnetic nonlinear transmission lines (GNLTLs) is not complete up until now, especially the action of spinwave excitation during this process. In this paper, control experiments on different groups of GNLTLs with a single variable of NiZn ferrite material spinwave linewidth ΔHk are proposed as an indirect way to demonstrate this microscopic process. Comparative analyses of different groups of GNLTL experimental results are conducted to clarify the existence and effect of spinwave excitation. Theoretical treatment of conditions of spinwave excitation in GNLTLs is derived to explain the experimental results. It is illustrated that spinwave can be excited when the synchronism condition between the working frequency of GNLTL and the spinwave frequency spectrum is satisfied. The unstable spinwave excitation will consume the RF energy of GNLTLs heavily and cause a rapid decrease in RF oscillation.
Interior spacetimes sourced by stationary differentially rotating irrotational cylindrical fluids. Perfect fluids
Authors: Célérier M.-N.
Published: September 2023

In a recent series of papers new exact analytical solutions of the Einstein equations representing interior spacetimes sourced by stationary rigidly rotating cylinders of different kinds of fluids have been displayed, [Phys. Rev. D 104, 064040 (2021); J. Math. Phys. 64, 022501 (2023); J. Math. Phys. 64, 032501 (2023); J. Math. Phys. 64, 042501 (2023); and J. Math. Phys. 64, 052502 (2023)]. This work is currently being extended to the cases of differentially rotating irrotational fluids. The results are presented in a new series of papers considering in turn the same three anisotropic pressure cases, as well as a perfect fluid source. Here, the perfect fluid case is considered, and different classes are identified as directly issuing from the field equations. Among them, an explicit analytical set of solutions is selected as displaying perfect fluid spacetimes. Its mathematical and physical properties are analyzed. Its matching to an exterior Lewis-Weyl vacuum and the conditions for avoiding an angular deficit are discussed.
Quartz–cristobalite alloy-like model of SiO2 film growth on Si (100) substrate
Authors: Kamiyama Eiji , Sueoka Koji
Published: September 2023

To qualify the nature of a SiO2 film grown on a Si single crystal substrate by surface oxidation, we originally propose a quartz–cristobalite (Q–C) alloy-like model of SiO2 film growth on a Si (100) substrate. We treat two types of Si–SiO2 transformations as reactions when oxidizing a Si wafer surface: Si–quartz transformation with Si emissions and Si–cristobalite transformation without Si emission. Expanding into a Q–C alloy-like model using the Hakoniwa method enables us to estimate both the ratio of Si emitting from the SiO2/Si interface among involved Si atoms in the thermally oxidized Si wafer surface and molecular volume expansion ratio from Si to SiO2. In addition, SiO2 film stress generated during oxidation is also discussed.