bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adsorption of Gases on Ruthenium Field Emitters II. Hydrogen
Authors: Kraemer K. , Menzel D. 
Published: October 2023

AbstractThe adsorption of hydrogen on ruthenium has been investigated in a field emission microscope. No strong face specificity is found for the full layer. The work function increment (0.65 eV at 100 K, 0.4 eV at 300 K) is very high for hydrogen. The initial sticking coefficient is high (of the order of 0.5) and decreases proportional to(1‐0)2 over at least the first half of the coverage. In ultrahigh vacuum, desorption is complete at about 360 K. The adsorption energy as determined by isosteric measurements is about 24 kcal/mol at 1/3 coverage and decreases with increasing coverage. At 260270 K a conversion in the adsorption layer occurs, which makes the resulting layer sensitive to redistribution by the high field; this effect shows up in visual pattern observations, Fowler‐Nordheim curves and isosteric measurements.
Der Einfluß von Eigen‐ und Fremddotierung des ZnTe auf den Reaktionsmechanismus der doppelten Umsetzung zwischen PbSe und ZnTe
Authors: Hornischer Rainer , Leute Volkmar 
Published: October 2023

AbstractDer Reaktionsmechanismus der doppelten Umsetzung zwischen PbSe‐Kristallen minimalen Dampfdrucks und verschieden vorbehandelten ZnTe‐Kristallen wird mit einer Mikrosonde und mit den Mitteln der opt. Auflichtmikroskopie im Temperaturbereich 500 < T < 700°C untersucht. Dabei zeigt sich, daß bei Te‐dotiertem und bei Zn‐dotiertem ZnTe der Reaktionsablauf durch die Interdiffusion der Chalkogene bestimmt wird, während bei ZnTe minimalen Dampfdrucks im unteren Temperaturbereich die Interdiffusion von Pb und Zn reaktionsbestimmend ist. Zur Deutung des beobachteten Reaktionsverhaltens wird für ZnTe ein Fehlordnungsmodell aufgestellt, das bei hohen Te‐Partialdrücken als wesentliche Komponente neutrale Chalkogenzwischengitterdefektenthält.Anhand dieses Modells lassen sich auch die Beobachtungen mit fremddotierten ZnTe‐Kristallen erklären, wenn man für Ag einen interstitiellen und für In einen substitutionellen Einbau ins ZnTe‐Gitter annimmt.
Experimentelle und theoretische Untersuchungen der Mehrkomponenten‐Diffusion mit stöchiometrisch gekoppelten Stoffstromdichten I. Ternäre Gasdiffusion
Authors: Hesse D. 
Published: October 2023

AbstractDas System der Transportgleichungen für die Mehrkomponenten‐Gasdiffusion wird für den Fall einer durch Gasgrenzschicht‐Diffusion bestimmten chemischen Umsetzung vom Typ v1 R1 + v2R2 ⇄ v3R3 gelöst. An drei Beispielen wird gezeigt, daß die Berechnung des Umsatzes mit den Gleichungen für die Mehrkomponenten‐Diffusion dann besonders zu empfehlen ist, wenn die am Transportprozeß beteiligten Gase stark verschiedene molekulare Transporteigenschaften aufweisen. In solchen Gemischen führt nämlich der üblicherweise verwendete  um den Stefan‐Strom erweiterte  Ficksche Transportansatz zu 2‐ bis 3mal so großen Umsätzen wie die Maxwell‐Stefanschen Diffusionsglcichungen, die den gemessenen Umsatz quantitativ vorhersagen.
Kernresonanzspektroskopische Untersuchungen an Isopropylsilanen‐I: Composite particle Analyse des AB6‐Spinsystems
Authors: Hägele Gerhard , Peters Wilfried , Weidenbruch Manfred 
Published: October 2023

AbstractDas 100‐MHz‐Protonenresonanzspektrum von (CH3)3SiCH(CH3)2 wird nach der Methode der composite‐particle‐Theorie analysiert. Explicite algebraische Ausdrücke für Übergangsfrequenzen und relative Intensitäten des AB6‐Spinsystems werden angegeben.
Prenatal diagnosis: Hypoplastic left heart syndrome in combination with ventriculo‐coronary communication
Authors: Jiali Yu , Dongmei Liu , Jiangli Dong , Shi Zeng , Ming Zhang , Ganqiong Xu 
Published: October 2023

AbstractBackgroundBoth hypoplastic left heart syndrome and ventriculo‐coronary communication are extremely rare congenital cardiac conditions.CaseThe diagnosis of hypoplastic left heart syndrome combined with endocardial fibroelastosis and ventriculo‐coronary communication was made in a pregnant woman at 24 weeks of gestation. Interestingly, unlike diastolic flow from the coronary artery to the left ventricle in typical ventriculo‐coronary communication, this fetus showed a systolic flow from the left ventricle to the coronary artery.ConclusionTo the best of our knowledge, this is the first study to present only a systolic flow signal in hypoplastic left heart syndrome combined with ventriculo‐coronary communication in prenatal ultrasonography.
Heterologous expression of NoxA confers aerotolerance in Clostridium sporogenes
Authors: Sadr Sara , Zargar Bahram , Perez Justo , Aucoin Marc G. , Ingalls Brian 
Published: October 2023

AbstractClostridium is a genus of gram‐positive obligate anaerobic bacteria. Some species of Clostridium, including Clostridium sporogenes, may be of use in bacteria‐mediated cancer therapy. Spores of Clostridium are inert in healthy normoxic tissue but germinate when in the hypoxic regions of solid tumors, causing tumor regression. However, such treatments fail to completely eradicate tumors partly because of higher oxygen levels at the tumor's outer rim. In this study, we demonstrate that a degree of aerotolerance can be introduced to C. sporogenes by transfer of the noxA gene from Clostridium aminovalericum. NoxA is a water‐forming NADH oxidase enzyme, and so has no detrimental effect on cell viability. In addition to its potential in cancer treatment, the noxA‐expressing strain described here could be used to alleviate challenges related to oxygen sensitivity of C. sporogenes in biomanufacturing.
Acyclic Boryl Complexes of Copper(I)
Authors: Charman Rex S. C. , Hobson Josie A. , Jackson Ross A. , Mahon Mary F. , Neale Samuel E. , Liptrot David J. 
Published: October 2023

AbstractReaction of (6‐Dipp)CuOtBu (6‐Dipp=C{NDippCH2}2CH2, Dipp=2,6‐iPr2C6H3) with B2(OMe)4 provided access to (6‐Dipp)CuB(OMe)2 via σ‐bond metathesis. (6‐Dipp)CuB(OMe)2 was characterised by NMR spectroscopy and X‐ray crystallography and shown to be a monomeric acyclic boryl of copper. (6‐Dipp)CuB(OMe)2 reacted with ethylene and diphenylacetylene to provide insertion compounds into the Cu‐B bond which were characterised by NMR spectroscopy in both cases and X‐ray crystallography in the latter. It was also competent in the rapid catalytic deoxygenation of CO2 in the presence of excess B2(OMe)4. Alongside π‐insertion, (6‐Dipp)CuB(OMe)2 reacted with LiNMe2 to provide a salt metathesis reaction at boron, giving (6‐Dipp)CuB(OMe)NMe2, a second monomeric acyclic boryl, which also cuproborated diphenylacetylene. Computational interrogation validated these acyclic boryl species to be electronically similar to (6‐Dipp)CuBpin.
Benzylic C(sp3)−H Bond Oxidation with Ketone Selectivity by a Cobalt(IV)‐Oxo Embedded in a β‐Barrel Protein
Authors: Wang Dong , Ingram Aaron A. , Okumura Akira , Spaniol Thomas P. , Schwaneberg Ulrich , Okuda Jun 
Published: October 2023

AbstractArtificial metalloenzymes have emerged as biohybrid catalysts that allow to combine the reactivity of a metal catalyst with the flexibility of protein scaffolds. This work reports the artificial metalloenzymes based on the β‐barrel protein nitrobindin NB4, in which a cofactor [CoIIX(Me3TACD‐Mal)]+X− (X=Cl, Br; Me3TACD=N,N',N''‐trimethyl‐1,4,7,10‐tetraazacyclododecane, Mal=CH2CH2CH2NC4H2O2) was covalently anchored via a Michael addition reaction. These biohybrid catalysts showed higher efficiency than the free cobalt complexes for the oxidation of benzylic C(sp3)−H bonds in aqueous media. Using commercially available oxone (2KHSO5 ⋅ KHSO4 ⋅ K2SO4) as oxidant, a total turnover number of up to 220 and 97 % ketone selectivity were achieved for tetralin. As catalytically active intermediate, a mononuclear terminal cobalt(IV)‐oxo species [Co(IV)=O]2+ was generated by reacting the cobalt(II) cofactor with oxone in aqueous solution and characterized by ESI‐TOF MS.
Conjugated Olefin Enabled Rollover Cyclometallation of Distant C‐H Bonds: Regioselective Annulation of o‐Alkenyl Phenols with Alkynes
Authors: Nagireddy Attunuri , Naveen Kumar Muniganti , Babu Nanubolu Jagadeesh , Sridhar Reddy Maddi 
Published: October 2023

AbstractAlthough challenging, the distant C−H functionalization with precision is quite rewarding and has long been intriguing. Tailoring an appropriate template accomplishes the job but the prerequisite sets the limitation. We herein unveil our discovery of annulation of alkynes on to two distant (from directing group) C−H bonds through rollover cyclometallation assisted by conjugated C=C bond. The annulation follows a concomitant cyclization rewarding a rare triple C−H functionalization. The annulation is totally regioselective with an array of unsymmetrical alkynes, taking the leverage of an extended conjugation or a tertiary hydroxyl co‐ordination. The mechanism is supported by control experiments, KIE & labelling studies and Mass spectrometry.
Soft Riemann‐Hilbert problems and planar orthogonal polynomials
Authors: Hedenmalm Haakan 
Published: October 2023

AbstractRiemann‐Hilbert problems are jump problems for holomorphic functions along given interfaces. They arise in various contexts, for example, in the asymptotic study of certain nonlinear partial differential equations and in the asymptotic analysis of orthogonal polynomials. Matrix‐valued Riemann‐Hilbert problems were considered by Deift et al. in the 1990s with a noncommutative adaptation of the steepest descent method. For orthogonal polynomials on the line or on the circle with respect to exponentially varying weights, this led to a strong asymptotic expansion in the given parameters. For orthogonal polynomials with respect to exponentially varying weights in the plane, the corresponding asymptotics was obtained by Hedenmalm and Wennman (2017), based on the technically involved construction of an invariant foliation for the orthogonality. Planar orthogonal polynomials are characterized in terms of a certain matrix ‐problem (Its, Takhtajan), which we refer to as a soft Riemann‐Hilbert problem. Here, we use this perspective to offer a simplified approach based not on foliations but instead on the ad hoc insertion of an algebraic ansatz for the Cauchy potential in the soft Riemann‐Hilbert problem. This allows the problem to decompose into a hierarchy of scalar Riemann‐Hilbert problems along the interface (the free boundary for a related obstacle problem). Inspired by microlocal analysis, the method allows for control of the solution in such a way that for real‐analytic weights, the asymptotics holds in the L2 sense with error in a fixed neighborhood of the closed exterior of the interface, for some constant , where . Here, m is the degree of the polynomial, and in terms of pointwise asymptotics, the expansion dominates the error term in the exterior domain and across the interface (by a distance proportional to ). In particular, the zeros of the orthogonal polynomial are located in the interior of the spectral droplet, away from the droplet boundary by a distance at least proportional to .
Mechanochemistry for Healthcare: Revealing the Nitroso Derivatives Genesis in the Solid State
Authors: Basoccu Francesco , Cuccu Federico , Porcheddu Andrea 
Published: October 2023

AbstractNitroso derivatives with unique characteristics have been extensively studied in various fields, including biology and clinical research. Although there has been substantial investigation of “nitrosable” components in many drugs and commonly consumed nutrients, there is still a need for a higher awareness about their formation and characterization. This study demonstrates how these derivatives can be produced through a mechanochemical procedure under solid‐state conditions. The results include synthesizing previously unknown compounds with potential biological and pharmaceutical applications, such as a nitrosamine derived from a Diclofenac‐like structure.
Developmental changes in endogenous testosterone have sexually‐dimorphic effects on spontaneous cortical dynamics
Authors: Picci Giorgia , Ott Lauren R. , Penhale Samantha H. , Taylor Brittany K. , Johnson Hallie J. , Willett Madelyn P. , Okelberry Hannah J. , Wang Yu‐Ping , Calhoun Vince D. , Stephen Julia M. , Wilson Tony W. 
Published: October 2023

AbstractThe transition from childhood to adolescence is associated with an influx of sex hormones, which not only facilitates physical and behavioral changes, but also dramatic changes in neural circuitry. While previous work has shown that pubertal hormones modulate structural and functional brain development, few of these studies have focused on the impact that such hormones have on spontaneous cortical activity, and whether these effects are modulated by sex during this critical developmental window. Herein, we examined the effect of endogenous testosterone on spontaneous cortical activity in 71 typically‐developing youth (ages 10–17 years; 32 male). Participants completed a resting‐state magnetoencephalographic (MEG) recording, structural MRI, and provided a saliva sample for hormone analysis. MEG data were source‐reconstructed and the power within five canonical frequency bands (delta, theta, alpha, beta, and gamma) was computed. The resulting power spectral density maps were analyzed via vertex‐wise ANCOVAs to identify spatially specific effects of testosterone and sex by testosterone interactions, while covarying out age. We found robust sex differences in the modulatory effects of testosterone on spontaneous delta, beta, and gamma activity. These interactions were largely confined to frontal cortices and exhibited a stark switch in the directionality of the correlation from the low (delta) to high frequencies (beta/gamma). For example, in the delta band, greater testosterone related to lower relative power in prefrontal cortices in boys, while the reverse pattern was found for girls. These data suggest testosterone levels are uniquely related to the development of spontaneous cortical dynamics during adolescence, and such levels are associated with different developmental patterns in males and females within regions implicated in executive functioning.
Barriers to preschool aged children's participation in swimming lessons in New South Wales, Australia
Authors: Ananthapavan Vidthyany , Peden Amy E. , Angell Blake , Macniven Rona 
Published: October 2023

AbstractIssue AddressedTo understand barriers to uptake of subsidised swimming lessons by children aged 3–6 years old (‘preschool aged children’), including from priority populations, in New South Wales (NSW).MethodsA thematic analysis of 4191 qualitative responses from parents/carers of preschool aged children describing barriers that resulted in their child's non‐participation in subsidised swimming lessons in the past 12 months was conducted. Data, including parent/carer sociodemographic variables, were collected through registrations for the NSW Government's First Lap voucher program.ResultsSeven overarching barriers to participation were identified: (1) child's disability or health needs; (2) swimming lesson affordability; (3) family or personal circumstances; (4) lack of or poor availability of swimming lessons; (5) parent/carer availability, including to fulfil participation requirements; (6) COVID‐19 and (7) deprioritisation of formal swimming lessons due to parent/carer perceptions relating to its importance. These may limit the uptake of swimming lessons in preschool aged children, particularly those who are Aboriginal and Torres Strait Islander, from culturally and linguistically diverse backgrounds, living with a disability, from low socioeconomic families and living in regional and remote areas.ConclusionStructural barriers must be addressed to increase uptake of swimming lessons in preschool aged children, particularly in priority populations, to reduce drowning risk.So What?Evidence‐based policy initiatives, with robust evaluation, should seek to address the availability and flexibility of swimming lessons, including for priority populations; complexities associated with supervision requirements; poor awareness of parents/carers of the importance of swimming for preschool aged children and the lack of continuity of swimming for children in out of home care.
Treatment of PTSD and SUD for the incarcerated population with EMDR: A pilot study
Authors: Bashir Huma A , Wilson Josephine F. , Ford Jo Ann , Hira Nainika 
Published: October 2023

AbstractAdverse childhood experiences predict recidivism. In incarcerated individuals, post‐traumatic stress disorder (PTSD) rates are higher. A study with 122 inmates with PTSD and substance use disorder explored eye movement desensitization and reprocessing (EMDR)’s effectiveness. EMDR worked across gender and race, reducing PCL‐C scores posttreatment and at 2 and 4 weeks. IER‐R scores lowered from weeks 1 to 9. EMDR boosted affect, reasoning, and attitudes posttreatment.
Effect of preharvest melatonin applications at dusk on quality and bioactive compounds content of early sweet cherries
Authors: Cortés‐Montaña Daniel , Bernalte‐García María Josefa , Palomino‐Vasco Mónica , Serradilla Manuel Joaquín , Velardo‐Micharet Belén 
Published: October 2023

AbstractBACKGROUNDEarly sweet cherries have a high economic impact on cherry growers but have poorer quality characteristics and shorter shelf‐life than late cherries. Melatonin has been proposed as a biostimulant that regulates plant and fruit growth and increases fruit quality and shelf‐life but, in general in fruit and vegetables, there is controversy about its effects. Therefore, this work aimed to evaluate the impact of exogenous preharvest melatonin applications at dusk on the quality and bioactive compounds of two early sweet cherry cultivars.RESULTSThe M3 and M5 (3 × 10−4 and 5 × 10−4 mol L−1 melatonin, respectively) treatments effectively enhanced the endogenous melatonin and hydroxycinnamic acid concentration, enhancing the functional properties of the fruit. Additionally, the M5 treatment enhanced skin colour and consumer acceptance of ‘Samba’ cherries, while the M3 treatment improved cherry size in ‘Sandon Rose’.CONCLUSIONPreharvest melatonin applications at dusk could be included in the scheduled preharvest treatments for early cherry cultivars in order to improve the quality and to stimulate the functionality of the fruit. However, further studies are needed to adjust the concentration depending on the cultivar and the objective pursued. © 2023 Society of Chemical Industry.
Fractures in glaciers—Crack tips and their stress fields by observation and modeling
Authors: Humbert Angelika , Gross Dietmar , Sondershaus Rabea , Müller Ralf , Steeb Holger , Braun Matthias , Brauchle Jörg , Stebner Karsten , Rückamp Martin 
Published: October 2023

AbstractHigh‐resolution optical camera systems are opening new opportunities to study fractures in ice. Here, we present data obtained from the Modular Aerial Camera System camera system operated onboard of Alfred Wegener Institute Helmholtz Centre for Polar and Marine Research (AWI) polar aircraft in northeast Greenland in 2022. In addition, we are using optical and radar satellite imagery. The study area is the 79°N Glacier (Nioghalvfjerdsbræ, 79NG), an outlet glacier of the Northeast Greenland Ice Stream. We found that crack tips are exhibiting additional isolated cracks ahead of the main crack. Subsequent crack propagation is starting from those isolated cracks, leading to an advance of the crack, with bridges between crack faces. The bridges provide information of the episodic crack propagation. Fractures have typically a length scale of kilometers and the distance of crack faces is in the order of meters to tenths of meters. Fracture modes will be inferred from stress fields computed by an inverse modeling approach using the Ice Sheet and Sea Level System Model. To this end, a surface velocity field derived from satellite remote sensing is used for the optimal control method that constrains model parameters, for example, basal friction coefficient or rheology.
Small Joint Organoids 3D Bioprinting: Construction Strategy and Application
Authors: Zhang Yuan , Li Guangfeng , Wang Jian , Zhou Fengjin , Ren Xiaoxiang , Su Jiacan 
Published: October 2023

AbstractOsteoarthritis (OA) is a chronic disease that causes pain and disability in adults, affecting ≈300 million people worldwide. It is caused by damage to cartilage, including cellular inflammation and destruction of the extracellular matrix (ECM), leading to limited self‐repairing ability due to the lack of blood vessels and nerves in the cartilage tissue. Organoid technology has emerged as a promising approach for cartilage repair, but constructing joint organoids with their complex structures and special mechanisms is still challenging. To overcome these boundaries, 3D bioprinting technology allows for the precise design of physiologically relevant joint organoids, including shape, structure, mechanical properties, cellular arrangement, and biological cues to mimic natural joint tissue. In this review, the authors will introduce the biological structure of joint tissues, summarize key procedures in 3D bioprinting for cartilage repair, and propose strategies for constructing joint organoids using 3D bioprinting. The authors also discuss the challenges of using joint organoids’ approaches and perspectives on their future applications, opening opportunities to model joint tissues and response to joint disease treatment.
Unlocking the Potential of Amorphous Prussian Blue with Highly Active Mn Sites at Room Temperature for Impressive Oxygen Evolution Reaction and Super Capacitor Electrochemical Performance
Authors: Wei Lihai , Meng Dexing , Mao Sui , Wu Xiaodong , Huang Huabo , Jiang Qianqian , Tang Jianguo 
Published: October 2023

AbstractThe key to increasing the rate of oxygen evolution reaction (OER) lies in accelerated four‐electron dynamics, while the key to facilitating the development of supercapacitors lies in the design of electrode materials. This paper synthesized manganese‐iron Prussian blue (MnFe‐PBA@IF) at room temperature, and hexagonal concave structures w ere prepared using a fast‐reducing matrix. Interestingly, MnFe‐PBA@IF has an amorphous structure favorable to exposing more active surfaces. According to Gibbs free energy calculations on MnFe‐PBA, charge depletion of manganese atoms can greatly enhance the adsorption of electron‐rich oxygen‐containing groups on the surface. Furthermore, the overpotential in 1 m KOH is 280 mV. Also, it can be used as a supercapacitor with a stable operating voltage range of −0.9–0 V and a specific capacity of 1260 F g−1. This work provides new insights into the synthesis of OER catalysts for Prussian blue ferromanganese at room temperature. Non‐gold‐bonded adsorption, highly active metal centers and active surfaces are the underlying reasons for the superior performance of supercapacitors. Therefore, Prussian blue with good energy storage performance and high active surface can be used as multifunctional energy storage and conversion electrodes.
Surface‐Ligand Tuned Reversible Transformations in Aqueous Environments Between CdSe Magic‐Size Clusters and Their Precursor Compounds
Authors: Chen Qingyuan , Zhang Yu , Chen Shuo , Liu Yuehui , Zhang Chunchun , Zhang Meng , Yu Kui 
Published: October 2023

AbstractThat magic‐size clusters (MSCs) have their counterpart precursor compounds (PCs) has not been generally accepted by expertise circles. Here, experimental evidence to support this new concept is presented. With aqueous‐phase CdSe MSCs as a model system, it is shown that when the MSCs are dispersed in water containing a certain amount of L‐cysteine (Cys), the MSCs disappear slowly. Upon the addition of CdCl2, the MSCs recover. It is proposed that after dispersing, the MSCs transform to their quasi‐isomeric, non‐absorbing PCs upon Cys addition. In the presence of CdCl2, the PCs transform back to the MSCs due to Cys elimination. The surface ligand Cys of the MSCs plays a significant role in the reversible transformations. The present study provides compelling evidence that absorbing MSCs have their non‐absorbing PCs. The study findings suggest that the transformation between two MSCs that display absorption spectral shifts in a stepwise pattern is assisted by their PCs.