bluuebunny/crossref_metadata_2025 huggingface dataset:
Methyl formate as a hydrogen energy carrier
Authors: Sang Rui , Wei Zhihong , Hu Yuya , Alberico Elisabetta , Wei Duo , Tian Xinxin , Ryabchuk Pavel , Spannenberg Anke , Razzaq Rauf , Jackstell Ralf , Massa Jonas , Sponholz Peter , Jiao Haijun , Junge Henrik , Beller Matthias
Published: June 2023

The use of renewable energy is central for the realization of a circular economy, which is essential for further global economic development. In this background, hydrogen storage materials play an important role. Here we propose a previously overlooked, industrially available bulk chemical (methyl formate, MF) as an efficient and practical hydrogen storage material. Utilizing appropriate catalysts, hydrogen production from MF is significantly faster than with other established chemical hydrogen carriers, such as formic acid and methanol, under very mild conditions. The optimized MF dehydrogenation system presented here is highly active (maximum turnover frequency (TOFmax) > 44,000 h−1 and turnover number > 100,000) and selective (CO undetectable). Moreover, the solvent-free MF dehydrogenation demonstrates its application potential. Here we show the dehydrogenation reaction of MF. We expect that these insights will serve as an inspiration for the development of alternative energy materials and new catalytic transformations.
Lipophilic Nutraceuticals
Authors: Chen Yashu , Chen Hongjian , Deng Qianchun , Chen Long , McClements David Julian
Published: June 2023

Nutraceuticals are considered as components originating from foods, which are publicized to have health promoting effects beyond normal nutritional function due to their specific molecular structures. Certain therapeutic claims still lack further validation using controlled human trials or other long-term efficacy tests, which needs further research. Lipophilic nutraceuticals, which have poor water solubility, instability, etc., reveal the challenges of encapsulating them into the food matrix with improved bioavailability. Several kinds of delivery systems with delicate design can achieve controlled release with improved burst and sustained release of the encapsulated bioactive components. This chapter focuses on the characteristics of lipophilic nutraceuticals and possible challenges in their delivery process, which may contribute to the understanding of the design principle of protective and effective delivery systems for chemically labile lipophilic nutraceuticals.
High Internal Phase Emulsions
Authors: Wang Kaiyue , Guo Rao , Li Hao , Bai Long , McClements David Julian , Rojas Orlando J. , Huan Siqi , Wang Chengyu
Published: June 2023

Innovations in emulsion science, particularly the development and deployment of novel emulsion types, have gained considerable attention in the food industry recently. This chapter focuses on one of these advanced emulsion technologies: high internal phase emulsions (HIPEs). HIPEs have internal phase volume fractions exceeding the close packing limit (usually >74%), which leads to semi-solid textural properties and a high resistance to gravitational separation. HIPEs are usually stabilized by surfactants, polymers, colloidal particles, or their mixtures, which can be either synthetic or natural. We review the different approaches that have been utilized to produce HIPEs and highlight their advantages and disadvantages. We also discuss recent research on the impact of the composition and structure of HIPEs on their physicochemical and functional attributes, e.g., appearance, rheology, encapsulation, delivery, and gastrointestinal fate. Finally, future trends of HIPEs in the food industry are discussed.
Phytoglycogen-based Systems
Authors: Shi Yaning , Chen Shilei , Bai Hangyu , Chen Long , Miao Ming
Published: June 2023

Phytoglycogen (PG) is a natural amylopectin-like dendritic nanoparticle primarily biosynthesized by sugary 1 (su1) mutant grains that lack debranching enzymes (DBEs). Purified PG is obtained from su1 grains with easy, low-cost, and straightforward methods. PG nanoparticles possess excellent physicochemical properties and remarkable features, including water solubility, low viscosity, and biodegradability. Due to their unique hyperbranched structure, PG nanoparticles can encapsulate numerous hydrophobic bioactive compounds to improve their solubility, physicochemical stability, bioavailability, and bioactivity. The interactions between PG nanoparticles and the encapsulated bioactive compounds have been well understood, which is beneficial for designing tailor-made PG-based colloidal systems. Hence, PG nanoparticles have great potential as nanocarriers in oral delivery systems. In this chapter, detailed information about biosynthesis, extraction approaches, molecular characteristics, physicochemical properties, surface modification, and applications of PG is presented, which provides some new insights into PG nanoparticles for use in food nutrition, cosmetic, and biopharmaceutical industries.
Nanofiber-based Systems
Authors: Liu Fei , Ma Yun , TürkerSaricaoğlu Furkan , Chiou Bor-Sen
Published: June 2023

Nanofibers have become one of the most important bioactive delivery systems since they have high surface area and high porosity, and are considered safe. Phase separation, self-assembly, sol–gel methods, interfacial polymerization and electrospinning are commonly used for nanofiber fabrication. Among these methods, electrospinning surpasses the other methods in terms of efficiency and has emerged as the most efficacious technique for producing nanofibers. This chapter describes the structural composition, physicochemical properties, adhesion mechanism, modification methods, advantages and disadvantages and application scope of nanofiber-based bioactive delivery systems.
A flexible electrochemical glucose sensing platform based on an electrospun PVA mat covered with in situ grown silver nanoparticles and a mixed self-assembled monolayer of glucose oxidase and ferrocene
Authors: Wang Yu , Wang Qiyan , Chai Guobi , Fan Wu , Shi Qingzhao , Zhang Wenfen , Mao Jian , Xie Jianping , Wei Ronghan , Zhang Qidong
Published: June 2023

A mixed self-assembled monolayer of ferrocene and glucose oxidase was constructed on a flexible electrospun PVA mat decorated with Ag nanoparticles for electrochemical glucose sensing.
Employing bulk-heterostructure conductive polymer PFO/PFBT for the photoelectrochemical analysis of p-phenylenediamine
Authors: Guan Kangdi , Zhang Ziwei , Ling Pinghua , Gao Feng
Published: June 2023

A film of conductive polymer heterostructures PFO/PFBT was designed as electrochemical material for the photoelectrochemical analysis of p-phenylenediamine.
Fluorescent core–shell magnetic nanoparticles by type II photoinitiated polymerisation
Authors: Garnier Maylis , Bicak Tugrul Cem , Sabbah Michèle , Griffete Nébéwia
Published: June 2023

Fluorescent magnetic nanoparticles are developed using type II photoinitiated polymerisation, where benzophenone (PB) acts as a photosensitiser and rhodmaine B(RhB) as a hydrogen donor.
Living on the edge: light-harvesting efficiency and photoprotection in the core of green sulfur bacteria
Authors: Klinger Alexander , Lindorfer Dominik , Müh Frank , Renger Thomas
Published: June 2023

Minimal model of light harvesting and photoprotection in the core of green sulfur bacteria.
Nitrogen rejection in natural gas using NaZSM-25 zeolite
Authors: Mousavi Seyed Hesam , Tamnanloo Javad , Mokarizadeh Abdol Hadi , Zavabeti Ali , Liu Jefferson Zhe , Li Gang Kevin
Published: June 2023

Na+ cations change the 8MR pore aperture and limit the accessibility of different gas molecules to the internal pores of ZSM-25.
Multiple promotion effect of mixed solvents on the oxidative degradation of thermosetting polymers
Authors: Long Yuwei , Su Zhishan , Bai Lan , Zhao Xu , An Wenli , Liu Xuehui , Xu Shimei , Wang Yu-Zhong
Published: June 2023

Mixed solvents significantly promote oxidative degradation of thermosets without heat input by improving mass transfer via promoting resin swelling while improving oxidation activity of oxidizer through coordination of organic solvent with metal.
Axis dependent conduction polarity in the air-stable semiconductor, PdSe2
Authors: Nelson Ryan A. , Deng Ziling , Ochs Andrew M. , Koster Karl G. , Irvine Cullen T. , Heremans Joseph P. , Windl Wolfgang , Goldberger Joshua E.
Published: June 2023

We establish PdSe2 as a robust, dopable, technologically viable semiconductor model system that simultaneously exhibits dominant p-type conduction cross-plane and n-type conduction in-plane.
Noncovalent interactions of antitumor cycloplatinated complexes containing trifluoroacetate ligands as the leaving group with bovine serum albumin. Implications for drug design
Authors: Aseman Marzieh Dadkhah , Negaresh Parisa , Shojaeifard Zahra , Hemmateenejad Bahram , Nabavizadeh S. Masoud
Published: June 2023

The cytotoxicity and biomolecular interactions of monofunctional cycloplatinated(ii) complexes, [Pt(C^N)(OCOCF3)(SMe2)], involving trifluoroacetate ligands as the leaving group are investigated by using different spectrophotometric techniques.
One-pot synthesis of polymer SiO2-PNPG electrodes as a transducer for the measurement of Pb(ii) in soil
Authors: Xu Luo , Yang Fang , Li Jiagen , Wang Qihui , Du Lin , Yang Min , Fu Xiaohong
Published: June 2023

In this work, an electrochemical sensor based on a highly efficient competitive method is proposed that uses SiO2-PNPG as an adsorbent for the efficient detection of Pb(ii) in soil.
Photoreforming of polyester plastics into added-value chemicals coupled with H2 evolution over a Ni2P/ZnIn2S4 catalyst
Authors: Liu Chu-Xuan , Shi Rui , Ma Wangjing , Liu Fulai , Chen Yong
Published: June 2023

The recycling of plastic waste has attracted increasing attention because of its negative effects on the ecological environment and human health.
Sustainability assessment of biojet fuel produced from pyrolysis oil of woody biomass
Authors: Fitriasari Eprillia Intan , Won Wangyun , Jay Liu J.
Published: June 2023

Biojet fuel production from woody biomass pyrolysis oil demonstrates economic viability at MFSP of $1.03 per L, while also reducing GHG emissions by up to 95.27% compared to conventional jet fuel production, providing environmental benefits.
Lignin-assembled zirconium-based PNA nanofiber for the catalytic transfer hydrogenation of furfural into furfuryl alcohol
Authors: Lin Wansi , Wang Yue , Zhang Junhua , Liu Huai , Peng Lincai
Published: June 2023

The concept of lignin-derived zirconium-functionalized PAN nanofiber synthesis.
The crumpling transition of active tethered membranes
Authors: Gandikota M. C. , Cacciuto A.
Published: June 2023

Active fluctuations of tethered membranes with no self-avoidance can be encapsulated by a simple rescaling of the background temperature. The self-avoiding membrane preserves its extended phase even in the presence of very large active fluctuations.
Searching for strong galaxy-scale lenses in galaxy clusters with deep networks
Authors: Angora G. , Rosati P. , Meneghetti M. , Brescia M. , Mercurio A. , Grillo C. , Bergamini P. , Acebron A. , Caminha G. , Nonino M. , Tortorelli L. , Bazzanini L. , Vanzella E.
Published: June 2023

Strong galaxy-scale lenses in galaxy clusters provide a unique tool with which to investigate the inner mass distribution of these clusters and the subhalo density profiles in the low-mass regime, which can be compared with predictions from ΛCDM cosmological simulations. We search for galaxy–galaxy strong-lensing systems in theHubbleSpace Telescope (HST) multi-band imaging of galaxy cluster cores by exploring the classification capabilities of deep learning techniques. Convolutional neural networks (CNNs) are trained utilising highly realistic simulations of galaxy-scale strong lenses injected into the HST cluster fields around cluster members (CLMs). To this aim, we take advantage of extensive spectroscopic information available in 16 clusters and accurate knowledge of the deflection fields in half of these from high-precision strong-lensing models. Using observationally based distributions, we sample the magnitudes (down toF814W = 29 AB), redshifts, and sizes of the background galaxy population. By placing these sources within the secondary caustics associated with the cluster galaxies, we build a sample of approximately 3000 strong galaxy–galaxy lenses, which preserve the full complexity of real multi-colour data and produce a wide diversity of strong-lensing configurations. We study two deep learning networks, processing a large sample of image cutouts, in three bands, acquired by HST Advanced Camera for Survey (ACS), and we quantify their classification performance using several standard metrics. We find that both networks achieve a very good trade-off between purity and completeness (85%–95%), as well as a good stability, with fluctuations within 2%–4%. We characterise the limited number of false negatives (FNs) and false positives (FPs) in terms of the physical properties of the background sources (magnitudes, colours, redshifts, and effective radii) and CLMs (Einstein radii and morphology). We also demonstrate the high degree of generalisation of the neural networks by applying our method to HST observations of 12 clusters with previously known galaxy-scale lensing systems.
Mechanism and control strategy of large-area concrete shrinkage cracks in the underground railway section
Authors: Yu Meilin
Published: June 2023

The cracks of the large-area concrete structure in the underground railway section directly affect the structural safety and service life. How to take effective measures to control concrete shrinkage cracks is a difficulty to be solved in the project.In view of the crack control demand of large-area concrete structure cracks in a vehicle section of Wuhan metro, based on the existing engineering cases of large-area concrete structure, shrinkage crack mechanism and control strategies, the corresponding measures are proposed to prevent crack production from two aspects of concrete raw materials and construction technology.The results show that through the regulation of concrete materials,maintenance,casting,post-pouring belt, temperature monitoring and other links, the reduction of shrinkage cracks of large-area concrete structure in the underground railway section is realized.These results can provide references for similar projects to lessen cracks, ensure structural safety and construction quality.
Protéger l’environnement pour se gouverner ? Repolitiser les « subjectivités environnementales » dans les aires protégées (San Andrés, Colombie)
Authors: Berthod Justine
Published: June 2023

L’article discute la notion de « subjectivités environnementales » d’Arun Agrawal. Elle permet d’analyser la construction d’identités environnementales dans l’évolution des relations entre l’État et ses marges. Nous proposons d’appliquer la notion à l’appropriation conflictuelle de la conservation par les pêcheurs de la réserve de biosphère Seaflower (Colombie). L’article propose d’illustrer la pluralité des « subjectivités environnementales » qui naissent de dispositifs de conservation peu participatifs, au cœur des contradictions de la conservation bioculturelle. Il remet en question la subjectivation environnementale comme adoption d’un environnementalisme consensuel. Il décrira plutôt un processus social contraint et conflictuel – finalement, politique – de redéfinition des bons usages de la nature.
Natural light optimization in an existing primary school: human centred design and daylight retrofitting solutions for students wellbeing
Authors: Balocco Carla , Ancillotti Irene , Trombadore Antonella
Published: June 2023

How the human centred design solutions will implement the benefit of daylighting in an existing primary school? This paper shows research experiences on students visual comfort inside the school building Don Milani, in Prato (Italy). The layout of training spaces, distribution and functional organization is also re-designed as flexible/resilient space/place, with a focus on the control of natural light effects for the luminous environment quality, vision and perception, but also an energy consumption reduction. The project is based on a human centred design approach, fostering the integration between sustainable lighting, human perception and biological clock (i.e. circadian rhythm) connected to the Sun daily path. Results showed the importance of natural light optimization to assure different children activities and behaviour, reorganization of the indoor environment and work/observation stations, combining the light colour variability of different materials. Findings highlighted that natural light quality assessment is fundamental to achieve not only a good lighting quality and energy consumption reduction, but also high level of visual comfort in learning spaces, implementing both the students wellbeing and their proactive behaviour, as it should be in a sustainable school building.
Sprechen wir noch eine Sprache?
Authors: Schlemmer Jutta
Published: June 2023

Der Gebrauch einer Fachsprache dient der eindeutigen Informationsvermittlung. In
der Regel werden Fachbegriffe vom Gegenüber verstanden, sie vereinfachen
die Beschreibung und Lösung eines Problems. Doch nicht immer ist
sichergestellt, dass das Gegenüber das gleiche Verständnis des
Begriffs hat. Dieser Beitrag soll ein Denk- und Diskussionsanstoß dazu
sein, in welchem Umfang und mit welcher Priorität die osteopathische
Fachsprache weiter vorangetrieben werden kann, damit Diskussionen
präziser geführt werden können.
Die Lebendigkeit des Selbst – das gesunde
Immunsystem
Authors: Wagner Gudrun
Published: June 2023

Die osteopathische Behandlung des Immunsystems, prophylaktisch, regenerativ nach einer
Infektion, ausgleichend nach Impfreaktionen oder unterstützend bei Long Covid,
ist wieder aktuell. Eine gute Funktion des Immunsystems bedeutet, zuerst das Selbst zu
erkennen und sich dann vom Nicht-Selbst abzugrenzen oder sich zu verteidigen. Die
Komplexität des Immunsystems führt zu verschiedensten therapeutischen
Ansätzen. Durch diese können wir das Immunsystem nicht nur in seiner
gesamten Funktion erfassen, sondern es bei der (Wieder-)Herstellung eines funktionalen
Gleichgewichts begleiten. Die Auswirkungen sind enorm, ist doch die Entität des
Patienten in ihrem fluiden Ganz-Sein innerhalb der Grenzen des Selbst und in ihrer
Lebendigkeit in der Lage, sich vollkommen neu zu orientieren. So kann im gesamten
zellulären Kontinuum und darüber hinaus Gesundheit entfaltet und eine
(neue) Integrität stabilisiert werden.
Editorial
Authors: Grasmück Jürgen
Published: June 2023

Liebe Leserinnen, liebe Leser,

in dieser Ausgabe präsentiere ich Ihnen einen hoffentlich interessanten Mix
aus Beiträgen zur praktischen Umsetzung und Berichten über Themen,
die vielleicht bei dem einen oder anderen nicht zum osteopathischen Alltag
gehören.
Switching Regioselectivity in the Asymmetric Bromocyclization of Difluoroalkenes Catalyzed by a Chiral Bisphosphine Oxide
Authors: Hamashima Yoshitaka , Nakahara Yuki , Hirokawa Ryo , Uchida Shotaro , Yamashita Kenji
Published: June 2023

We present an efficient approach for the enantioselective synthesis of difluoromethylene-containing oxazine compounds through 6-endo-selective bromocyclization of difluoroalkenes by using a chiral proton-bridged bisphosphine oxide complex as a catalyst precursor. The regioselectivity is significantly influenced by the solvent and the catalyst structure, and 6-endo cyclization products can be obtained preferentially with moderate to high enantioselectivity. This protocol offers complementary regioselectivity to our previously reported 5-exo-selective reaction, permitting the synthesis of diverse medicinally interesting compounds.
A Comparison of Optical Biometers Used in Children for Myopia Control
Authors: Mattern Ann-Isabel , Neller Kai , Devenijn Machteld , Schwahn Hartmut , Langenbucher Achim , Seitz Berthold , Kaymak Hakan
Published: June 2023

Purpose To assess the reproducibility (i.e., inter-device reliability) of the biometers Topcon MYAH, Oculus Myopia Master, and Haag-Streit Lenstar LS900 with the Carl Zeiss IOLMaster
700 and the intra-subject repeatability in myopic children in order to reliably detect axial growth for myopia management.

Methods Twenty-two myopic children (11.1 ± 2.4 yr) with a spherical equivalent of − 3.53 ± 2.35 D were examined with each of the biometers to assess axial length (AL) and corneal
parameters (steepK, flatK, meanK, vectors J0, J45), and16 of these children agreed to a second round of measurements. Reproducibility of the first measurements between the IOLMaster and
every other biometer was assessed employing a Bland-Altman approach and paired Studentʼs t-test. Repeatability was assessed as intra-subject standard deviation and was used to estimate the
minimum time interval required between two AL measurements to reliably detect axial growth of an eye of at least 0.1 mm/year.

Results Repeatability for AL measurements was as follows: IOLMaster: 0.05 mm, Myopia Master: 0.06 mm, Myah: 0.06 mm, Lenstar: 0.04 mm; the respective minimal time interval for axial
growth assessment in myopia management was estimated as 5.6, 6.6, 6.7, and 5.0 months, respectively. Best reproducibility of the AL measurement was found between IOLMaster and Lenstar [95%
Limits of Agreement (LoA) for reproducibility − 0.06 to 0.02]. As regards to the measured means, Lenstar gave measures of AL that were longer than with the IOLMaster by 0.02 mm
(p < 0.001). Myopia Master measures of meanK were significantly lower (by 0.21 D with p < 0.001) than the values from the IOLMaster. As for J0, all biometers deviated significantly
from IOLMaster measurements (p < 0.05).

Conclusion Generally good agreement was observed between all the biometers. When assessing myopia progression in children, a time frame of at least 6 months between the AL
measurements is advisable in order to reliably determine any deviation from a normal growth pattern.
Pd-Catalyzed Homologation of Arylboronic Acids as a Platform for the Diversity-Oriented Synthesis of Benzylic C–X Bonds
Authors: Watson Allan J. B. , Bastick Kane A. C.
Published: June 2023

We report a synthetic platform for the formation of benzylic C–X bonds. Benzylboronic acid pinacol (Bpin) esters are useful synthetic intermediates but are commercially uncommon, leading to preparations that typically rely upon stoichiometric metalation. Pd-catalyzed formal homologation of arylboronic acids provides access to these compounds that, in turn, allow the formation of C–C, C–O, and C–N bonds from Pd- and Cu-mediated cross-coupling or oxidative processes. This affords a wide variety of benzylic alcohols, diarylmethanes, benzyl amines, and benzyl ethers. Limitations are disclosed, and the utility is further demonstrated by the generation of analogues of meclizine.
Sustainable Organocatalyzed Enantioselective Catalytic Michael Additions in Betaine-Derived Deep Eutectic Solvents
Authors: Burke Anthony J. , Fonseca Daniela P. , Amorim Ana C. , Carreiro Elisabete P. , Ramalho João P. Prates , Hermann Gesine J. , Federsel Hans-Jürgen , Duarte Ana Rita C.
Published: June 2023

The organocatalyst cinchonidine-squaramide was immobilized within three different deep eutectic solvents (DESs): betaine:d-sorbitol:water, betaine: d-xylitol:water, and betaine:d-mannitol:water and evaluated in a well-known asymmetric Michael addition. These reactions provided excellent yields (up to 99%) and enantioselectivities (up to 98%) using only 1 mol% of organocatalyst. It was also possible to achieve 9 cycles in reactions with DES (betaine:d-sorbitol:water), proving the high recyclability of this system. In the reactions realized with only 0.5 mol% of organocatalyst, it was possible to achieve 5 cycles, and the products were obtained with high yields (up to 95%) and excellent enantioselectivities (up to 94%), using DES (betaine:d-sorbitol:water).
A Double-Blind, Randomized, Placebo-Controlled Clinical Trial to Evaluate the Efficacy of Individualized Homeopathic Medicines in Pre-diabetes
Authors: Guha Nilanjana , Ghosh Shubhamoy , Mandal Sanjukta , Das Aakash Deep , Palanisamy Chithra , Maiti Shukdeb , Ghosh Priyanka , Singh Navin Kumar , Koley Munmun , Saha Subhranil
Published: June 2023

Background Pre-diabetes (PD) contributes importantly to the disease burden worldwide and is a precursor to stroke, cardiovascular diseases, as well as type-2 diabetes mellitus.

Objective In this project, the efficacy of individualized homeopathic medicines (IHMs) was explored against placebos in the treatment of PD.

Methods A 6-month, double-blind, randomized, placebo-controlled trial was conducted at the outpatient departments of a homeopathic medical college and hospital in India. Sixty participants with PD were randomized to receive either IHMs (n = 30) or identical-looking placebos (n = 30). Concomitant care measures were advised to both groups of participants in terms of dietary advice, yoga, meditation and exercise. The primary outcome measures were fasting blood sugar (FBS) and the oral glucose tolerance test (OGTT); the secondary outcome was the Diabetes Symptom Checklist-Revised (DSC-R) score. All the outcomes were measured at baseline and after 3 and 6 months of treatment. Inter-group differences and effect sizes (Cohen's d) were calculated using two-way repeated measures analysis of variance models after adjusting baseline differences using analysis of co-variance on the intention-to-treat data.

Results Between-group differences for FBS were statistically significant, favoring IHMs against placebos (F
1,58 = 7.798, p = 0.007), but not for OGTT (F
1,58 = 1.691, p = 0.199). The secondary outcome, DSC-R total score, favoring IHMs significantly compared with placebos (F
1,58 = 15.752, p < 0.001). Calcarea Carbonicum, Thuja occidentalis and Sulphur were the most frequently prescribed medicines. No harm or serious adverse events were recorded from either of the participant groups.

Conclusion IHMs produced significantly better results than placebos in FBS and in DSC-R scores but not in OGTT. Independent replications with larger sample sizes are warranted to substantiate the findings.

Trial registration CTRI/2019/10/021711
Diffusion in a rough potential: Dual-scale structure and regime crossovers
Authors: Colosqui Carlos E.
Published: June 2023

Diffusion in a “rough” potential parameterized by a reaction coordinate q is relevant to a wide spectrum of problems ranging from protein folding and charge transport in complex media to colloidal stabilization and self-assembly. This work studies the case of a potential having a coarse-scale structure with characteristic energy barrier ΔU and period ℓ and fine-scale “roughness” of magnitude ΔU′ ≲ ΔU and small period ℓ′ ≪ ℓ. The numerical solution of the Smoluchowski equation and analytical predictions from Kramers theory document distinct regimes at different distances |Δq| = |q − qE| from stable equilibrium at q = qE. The physical diffusivity D prescribed by dissipative effects can be observed farther than a distance |Δq′| ∝ (ΔU′/ℓ′ + ΔU/ℓ). Rescaling the physical diffusivity to account for the fine-scale “roughness” is strictly valid when |Δq| < ΔqI ∝ (ΔU′/ℓ′ − ΔU/ℓ). Farther than a critical distance ΔqII ∝ ΔU/ℓ, the diffusion process is free of coarse-scale metastable states, which facilitates determining the effective diffusivity D′ from the reaction coordinate trajectory. Closer to equilibrium, the coarse-scale structure induces two diffusive regimes: nearly logarithmic evolution for ΔqII > |Δq| > ΔqIII and exponential decay over time for |Δq| < ΔqIII ∝ 1/ℓ. The effective diffusivity derived in this work is sensitive to the coarse- and fine-scale energy barriers and periods and for ℓ′/ℓ → 0 and ΔU′/kBT ≫ 1 agrees closely with mean first-passage time estimates currently employed, which depend solely on the fine-scale energy barrier.
Assignment of polar nanoregions influence from relaxor/ergodic states on the rare-earth optical emissions
Authors: Correr G. I. , Badillo F. A. L. , Milton F. P. , Garcia D. , de Godoy M. P. F.
Published: June 2023

Polar state transitions are one of the most intriguing phenomena in relaxor ferroelectric research, motivating many phenomenological models and experimental analyses. In addition to many electrical techniques that permit the evaluation of characteristic temperatures, this manuscript shows that the changes in rare-earth luminescence properties can act as an alternative probe. Here, we explore the luminescence properties of erbium-doped PLMN–13PT (lanthanum-modified lead magnesium niobate–lead titanate) under temperature and electric field-induced polar state transitions. In analogy to the magnetism setups, four electric field conditions were carried out during the cooldown and heating procedures: no-field, poled, zero-field-cooled (ZFC), and field-cooled (FC). The intensities of visible Er3+ emissions 4S3/2 → 4I15/2 and 2H11/2 → 4I15/2 exhibit peculiar behavior at the freezing temperature (TF) for the no-field condition, as nonlinear to linear transition, and a maximization. In an external electric field, these features shift to higher temperatures for the poled condition, and the amplitude evolves with a higher slope below TF for ZFC. However, in the FC condition, the emissions behave similarly to the no-field case, indicating competition between the modes of depolarization. Our results show that rare-earth ion emissions correlate with the polar nanoregion dynamics and probe the ergodic, non-ergodic, and paraelectric transitions.
Large area matrix of MXene/MoSe2 nanohybrid-based flexible piezoresistive pressure sensors for artificial e-skin application
Authors: Adepu Vivek , Yoo Changhyeon , Jung Yeonwoong , Sahatiya Parikshit
Published: June 2023

In this study, a MoSe2/Ti3C2Tx nanohybrid-based fabricated flexible physical sensor demonstrates an elevated pressure sensitivity of 14.70 kPa−1 and a highly robust nature withstanding up to ∼2500 cycles. The fabricated pressure sensor's underlying transduction mechanism is elucidated by exploiting the inherent piezoresistive effect and the variation of the Schottky barrier height unveiled by the MoSe2/Ti3C2Tx interface with the assistance of comprehensive band structures that are appreciated by ultraviolet photoelectron spectroscopy. Also, sensors were employed as a 7 × 7 sensor matrix with a large area for tactile sensing and incorporated onto the volunteer hand to determine the artificial skin application.
Flexible magnetoelectric sensor and nonvolatile memory based on magnetization-graded Ni/FSMA/PMN-PT multiferroic heterostructure
Authors: Arora Diksha , Kumar Pradeep , Singh Shalini , Goswami Ankur , Kaur Davinder
Published: June 2023

Flexible multiferroic heterostructures are promising to unveil technological developments in wearable magnetic field sensing, nonvolatile memory, soft robotics, and portable energy harvesters. Here, we report an enhanced and a zero-biased magnetoelectric (ME) effect in flexible, cost-effective, and room temperature sensitive Ni/FSMA/PMN-PT magnetization-graded ME heterostructure. Flexible Ni foil with −q (piezomagnetic coefficient) and the ferromagnetic shape memory alloy (FSMA; Ni-Mn-In) layer with +q offers the desired q-grading. The temperature-dependent dielectric behavior shows an anomaly in the martensite transformation regime of the FSMA layer. The Ni/FSMA/PMN-PT ME heterostructure exhibits noteworthy ME output of ∼3.7 V/cm Oe, significantly higher than Ni/PMN-PT (∼1 V/cm Oe). The q-grading-induced bending moment impedes the asymmetry-related flexural strain and strengthens the ME interaction. The zero-bias ME output of ∼0.4 V/cm Oe is ascribed to the interaction between q-grading-induced transverse magnetization and AC magnetic field. Ni/Ni-Mn-In/PMN-PT ME heterostructure displays excellent magnetic field sensing parameters: correlation coefficient, sensitivity, inaccuracy, and hysteresis of 0.99916, ∼0.74 mV/Oe, 1.5% full-scale output (FSO), and 1.8% FSO, respectively. The reversible and repeatable nonvolatile switching of the ME coefficient obtained with positive and negative electric fields is useful for next-generation memory devices. The flexible ME heterostructure shows no degradation in performance up to 1500 bending cycles. Such Ni/FSMA/PMN-PT based ME heterostructures are propitious for multifunctional flexible magnetic field sensors and nonvolatile memory applications.
Peculiar thickness dependence of perpendicular magnetic anisotropy in epitaxial NiCo2O4 spinel films
Authors: Xi Zhongnan , Wang Yuqi , Wu Yang , Hou Pengxiang , Jiao Peijie , Deng Yu , Yang Yurong , Wu Di
Published: June 2023

We reported a peculiar thickness dependence of perpendicular magnetic anisotropy (PMA), stronger in thinner films, in spinel NiCo2O4 (NCO) films deposited epitaxially on MgAl2O4 (001) single crystalline substrates. The effective PMA field is about 3 T in 23.0 nm-thick films but increases dramatically to about 7 T in 4.5 nm-thick films. X-ray absorption spectra reveal an inhomogeneous distribution of Co2+ cations along the film's normal with more Co2+ adjacent to the film/substrate interface. X-ray linear dichroism spectra reveal that the PMA in NCO films is associated with electrons occupying the x2–y2 orbital of Co cations at the tetrahedral sites. This work demonstrates the potential of ultrathin NCO films in all-oxide spintronic devices.
Three Lagrangians for the complete-active space coupled-cluster method
Authors: Kvaal Simen
Published: June 2023

Three fully variational formulations of the complete-active space coupled-cluster method are derived. The formulations include the ability to approximate the model vectors by smooth manifolds, thereby opening up the possibility for overcoming the exponential wall of scaling for model spaces of complete-active space type. In particular, model vectors of matrix-product states are considered, and it is argued that the present variational formulation allows not only favorably scaling multireference coupled-cluster calculations but also systematic correction of tailored coupled-cluster calculations and of quantum chemical density-matrix renormalization group methods, which are fast and polynomial scaling but lack the ability to properly resolve dynamical correlation at chemical accuracy. The extension of the variational formulations to the time domain is also discussed, with derivations of abstract evolution equations.
Ultrahigh breakdown current density of van der Waals one dimensional PdBr2
Authors: Das Bikash , Dolui Kapildeb , Paramanik Rahul , Kundu Tanima , Maity Sujan , Ghosh Anudeepa , Palit Mainak , Datta Subhadeep
Published: June 2023

One-dimensional (1D) van der Waals (vdW) materials offer nearly defect-free strands as channel materials in the field-effect transistor devices and probably, a better interconnect than conventional copper with higher current density and resistance to electro-migration with sustainable down-scaling. We report a theoretically predicted halide based 1D few-chain atomic thread, PdBr2, isolable from its bulk which crystallizes in a monoclinic space group C2/c. Liquid phase exfoliated nanowires with mean length (20 ± 1)μm transferred onto a SiO2/Si wafer with a maximum aspect ratio (length:width) of ≈5000 confirm the lower cleavage energy perpendicular to the chain direction. Moreover, an isolated nanowire can also sustain a current density of 200 MA/cm2, which is atleast one-order higher than typical copper interconnects. However, local transport measurement via the conducting atomic force microscopy (CAFM) tip along the cross direction of the single chain records a much lower current density due to the anisotropic electronic band structure. While 1D nature of the nanoobject can be linked with a non-trivial collective quantum behavior, vdW nature could be beneficial for possible pathways in an interconnect fabrication strategy with better control of placement in an integrated circuit.
Magnetoelectric response in laminated BaFe12O19/Pb(Zr,Ti)O3 composites
Authors: Pan Qi , Zhang Xiaoyan , Xia Baoju , Chu Baojin
Published: June 2023

The magnetoelectric (ME) response of laminated composites consisting of BaFe12O19 and Pb(Zr,Ti)O3 ceramics is systematically investigated. A butterfly-shaped curve of a magnetoelectric coefficient emerges in both three-layer and multilayer composites. We show that the appearance of a 7 ppm residual strain in the BaFe12O19 layer after magnetization is the main reason for this special curve. We also observe the self-biasing effect of the composites and a maximum ME response from 0.6 to 5 mV/(Oe cm) in laminated composites with magnetic and ferroelectric layers of different thicknesses that can be measured at a zero-bias magnetic field. The repeatable and stable maximum and minimum values of the magnetoelectric coefficient can be obtained under periodically applied biasing magnetic fields, which is important for a practical device application. An electric-field control of ferromagnetism, evidenced by a 17%–19% enhancement in the magnetization of the BaFe12O19 layer after Pb(Zr,Ti)O3 is polarized, is observed in the composites, implying potential applications in memory devices for the composites. Our work indicates that both magnetic field-controlled polarization and electric-field-controlled magnetization exist in BaFe12O19/Pb(Zr,Ti)O3 laminated composites.
Serially improved GTOs for molecular applications (SIGMA): Basis sets from H to Ne
Authors: Ema López Ignacio , Ramírez Moreno Guillermo , López Fernández Rafael , García de la Vega José Manuel
Published: June 2023

A new approach for generating Gaussian basis sets is reported and tested for atoms from H to Ne. The basis sets thus calculated, named SIGMA basis sets, range from DZ to QZ sizes and have the same composition per shell as Dunning basis sets but with different treatment of the contractions. The standard SIGMA basis sets and their augmented versions have proven to be very suitable for providing good results in atomic and molecular calculations. The performance of the new basis sets is analyzed in terms of total, correlation, and atomization energies, equilibrium distances, and vibrational frequencies in several molecules, and the results are compared at several computational levels with those obtained with the corresponding Dunning and other basis sets.
Numerical study of electrohydrodynamic atomization considering liquid wetting and corona discharge effects
Authors: Mai Luan Ngoc , Vu Trung Hieu , Dinh Thien Xuan , Vu Hoai Duc , Tran Canh-Dung , Dau Van Thanh , Ngo Hieu Khanh
Published: June 2023

In this paper, the behavior of the cone-jet mode of fluid by electrohydrodynamic atomization (electrospray) is numerically simulated and investigated with the effect of liquid wetting and corona discharge effects. The simulation was performed with contact angle condition to fit the Taylor cone shape by experiments. Experimental data are provided to verify and validate the numerical method, followed by additional analyses on the effects of electrical conductivity, surface tension, flow rate, and fluid viscosity on the electrospray characteristics, including spray current and jet diameter. Numerical results by simulations are in reasonable agreement with experiments and consistent with the literature. Analyses on different contact angles suggest potentially major impacts of this factor on the cone-jet mode in high voltage and low flow rate circumstances. Furthermore, the influence of corona discharge on electrospray is also investigated by both electrospray–corona simulation and experiment using a high-speed camera, yielding a significant improvement in the numerical prediction for Taylor cone formation. Numerical results indicate that liquid wetting on capillary nozzles would be a vital factor for the Taylor cone formation in numerical electrospray–corona discharge studies.
Enhancing spin-transfer torque in magnetic tunnel junction devices: Exploring the influence of capping layer materials and thickness on device characteristics
Authors: Sadat Parvini Tahereh , Paz Elvira , Böhnert Tim , Schulman Alejandro , Benetti Luana , Oberbauer Felix , Walowski Jakob , Moradi Farshad , Ferreira Ricardo , Münzenberg Markus
Published: June 2023

We have developed and optimized two categories of spin-ransfer torque magnetic tunnel junctions (STT-MTJs) that exhibit a high tunnel magnetoresistance ratio, low critical current, high outputpower in the micro-watt range, and auto-oscillation behavior. These characteristics demonstrate the potential of STT-MTJs for low-power, high-speed, and reliable spintronic applications, including magnetic memory, logic, and signal processing. The only distinguishing factor between the two categories, denoted as A-MTJs and B-MTJs, is the composition of their free layers, two CoFeB/0.21 Ta/6 CoFeSiB for A-MTJs and two CoFeB/0.21 Ta/7 NiFe for B-MTJs. Our study reveals that B-MTJs exhibit lower critical currents for auto-oscillation than A-MTJs. We found that both stacks have comparable saturation magnetization and anisotropy field, suggesting that the difference in auto-oscillation behavior is due to the higher damping of A-MTJs compared to B-MTJs. To verify this hypothesis, we employed the all-optical time-resolved magneto-optical Kerr effect technique, which confirmed that STT-MTJs with lower damping exhibited auto-oscillation at lower critical current values. Additionally, our study aimed to optimize the STT-MTJ performance by investigating the impact of the capping layer on the device’s response to electronic and optical stimuli.
Versatile tabletop setup for picosecond time-resolved resonant soft-x-ray scattering and spectroscopy
Authors: Borchert Martin , Braenzel Julia , Gnewkow Richard , Lunin Leonid , Sidiropoulos Themistoklis , Tümmler Johannes , Will Ingo , Noll Tino , Reichel Oliver , Rohloff Dirk , Erko Alexei , Krist Thomas , von Korff Schmising Clemens , Pfau Bastian , Eisebitt Stefan , Stiel Holger , Schick Daniel
Published: June 2023

We present a laser-driven, bright, and broadband (50 to 1500 eV) soft-x-ray plasma source with <10 ps pulse duration. This source is employed in two complementary, laboratory-scale beamlines for time-resolved, magnetic resonant scattering and spectroscopy, as well as near-edge x-ray absorption fine-structure (NEXAFS) spectroscopy. In both beamlines, dedicated reflection zone plates (RZPs) are used as single optical elements to capture, disperse, and focus the soft x rays, reaching resolving powers up to E/ΔE > 1000, with hybrid RZPs at the NEXAFS beamline retaining a consistent E/ΔE > 500 throughout the full spectral range, allowing for time-efficient data acquisition. We demonstrate the versatility and performance of our setup by a selection of soft-x-ray spectroscopy and scattering experiments, which so far have not been possible on a laboratory scale. Excellent data quality, combined with experimental flexibility, renders our approach a true alternative to large-scale facilities, such as synchrotron-radiation sources and free-electron lasers.
Confined Tamm plasmon light-emitting diodes
Authors: Symonds C. , Toanen V. , Gassenq A. , Benoit J.-M. , Pereira A. , Cleyet-Merle E. , Fulcrand R. , Bessueille F. , Minot S. , Morassi M. , Lemaitre A. , Bellessa J.
Published: June 2023

In this Letter, we describe a fabrication process for current injection into micrometer-size Ag/GaAs Tamm emitting diodes. It requires a special care to minimize surface damages as the Tamm mode is localized very close to the surface. Electroluminescence from GaAs quantum wells is demonstrated at room temperature, with a dispersion that follows the Tamm mode. For small diameters Tamm structures, in-plane confinement leads to electroluminescence into discretized energy modes. The observation of electrically excited emission from a confined diode is an important step toward the development of Tamm plasmon optical devices with new functionalities.
Epitaxial growth of EuNiO3 on SrTiO3 and its application to stacked protonation resistance switching devices
Authors: Taniguchi Yuki , Li Hao-Bo , Shimoyama Kohei , Hattori Azusa N. , Tanaka Hidekazu
Published: June 2023

The application of strongly correlated oxides as electronic devices is crucial issues to both modern physics and industry. In this work, the strongly correlated oxides EuNiO3 epitaxial thin film on SrTiO3 is synthesized, and the metal–insulator transition at 193 °C is identified. By injecting proton into EuNiO3 via a Pt catalyst, the huge resistance modulation up to six orders of magnitude is achieved. Moreover, the resistance switching is also observed in a prototype device built by protonated EuNiO3 and Nb-SrTiO3. Due to the intrinsic low activation energy of proton diffusion, comparing with oxygen-driven devices with the same structure, the switching speed of the proton-driven prototype device is 102–103 faster and might be further enhanced by optimizing the device design.
Altering the wake dynamics of a circular cylinder with harmonic forcing
Authors: Joshi Kamlesh , Latrobe Benjamin , Bhattacharya Samik
Published: June 2023

The time-averaged velocity profile in the wake of a circular cylinder resembles a “U” type or a “V” type profile due to a velocity defect. Bhattacharya and J. W. Gregory [“The effect of spatially and temporally modulated plasma actuation on cylinder wake,” AIAA J. 58, 3808–3818 (2020)] showed experimentally that the wake dynamics could be altered with harmonic forcing in such a way that instead of a velocity defect, a “jet-like” profile emerged with a characteristic “W” profile. The harmonic forcing was created by modulating the waveform of a dielectric barrier discharge plasma actuators' supply signal with a frequency twice that of the shedding frequency. However, the reason for the appearance of the “W” profile was not clear in S. Bhattacharya and J. W. Gregory [“The effect of spatially and temporally modulated plasma actuation on cylinder wake,” AIAA J. 58, 3808–3818 (2020).] In this paper, we use numerical simulation to recreate the test conditions implemented by Bhattacharya and J. W. Gregory [“The effect of spatially and temporally modulated plasma actuation on cylinder wake,” AIAA J. 58, 3808–3818 (2020).] We apply large-eddy simulation to study the impact of the pulsed, harmonic forcing on the wake of a circular cylinder at a subcritical Reynolds number of 4700. The plasma actuators are modeled with a body-force approach. The frequency of the driving signal of the plasma actuator is modulated at twice the shedding frequency. The amplitude of the signal is set at 6 kV peak to peak to create a blowing ratio of 0.8. The goal is to understand how the wake changes in three dimensions and the impact on separation on the cylinder surface due to the harmonic forcing. Results show that pulsed forcing causes vortices from one side of the wake to cross the centerline. This crossing creates an effective jet-like velocity along the centerline, resulting in a W velocity profile. Such a W profile is observed at least up to a streamwise distance of five cylinder diameters. Additionally, the pulsed actuation significantly increases the magnitude of primary and secondary frequencies throughout the wake. Forcing caused a 50% increase in the transverse velocity fluctuations at the centerline of the wake at the streamwise location of x/d=5. There was a similar increase in 33% at the centerline in the streamwise velocity fluctuations at the same location.
Observation of half-integer Shapiro steps in graphene Josephson junctions
Authors: Huang Zhujun , Elfeky Bassel Heiba , Taniguchi Takashi , Watanabe Kenji , Shabani Javad , Shahrjerdi Davood
Published: June 2023

We study quantum transport and AC Josephson effect of hexagonal boron nitride encapsulated graphene (BGB) Josephson junctions (JJs). Our experiments reveal the emergence of the half-integer Shapiro steps in the n-type regime with high electron carrier densities. We attribute this observation to the gate-tunable transmission probability of the graphene junction. Our numerical simulations are consistent with the appearance of half-integer Shapiro steps at high transparency, which suggests a skewed current phase relationship in the graphene JJ.