bluuebunny/crossref_metadata_2025 huggingface dataset:
Design Wave Period Estimation Using the Wave Height Information
Authors: Cho Hong-Yeon , Jeong Weon Mu , Kang Ju Whan , Lee Gi-Seop
Published: August 2023

The wave height and period regression curve is widely used to estimate the design wave period. In this study, the parameters of the curves are estimated, compared, and evaluated using the linear, robust linear, and nonlinear regression methods, respectively. The data used in the design wave height estimation are the annual maxima (AM) wave height and period data sets divided by typhoon and non-typhoon conditions, provided by the Ministry of Oceans and Fisheries (2019). The estimation parameters show significant differences in the local coastal waters and the estimation methods. The estimation parameters based on the Suh et al. (2008, 2010) method show the apparent bias, under-estimation in the intercept (scale) parameter, and over-estimation in the slope (exponent) parameter, respectively.
Cidades africanas em 6000 anos de africanos construindo cidades
Authors: Junior Henrique Cunha
Published: August 2023

As disciplinas sobre cidades no ocidente determinaram um conjunto de elementos formais, temporais e conceituais que embora utilizados como parte da história universal, não são adequados para o estudo das cidades e do urbanismo africano. Partindo do pressuposto da inadequação dos referenciais ocidentais foi desenvolvida uma pesquisa para produção de uma formulação do urbanismo e da compreensão das cidades africanas num período de 6000 anos, vinculadas aos princípios societários africanos, tendo como base a filosofia e a religiosidade das sociedades africanas. O postulado de partida é a existência dos princípios societários e não o questionamento sobre a sua formulação. Do resultado da pesquisa foi produzida a proposta de disciplina sobre a formação das cidades africanas e do seu urbanismo apresentando uma exposição conceitual sobre as mesmas. Tal disciplina percorreu uma fase de consolidação e aprovação que culminou com a sua apresentação formal no Programa de Pós-Graduação em Arquitetura e Urbanismo da Universidade Federal da Bahia. Neste artigo são apresentados o conjunto de elementos conceituais da supracitada disciplina e os fatos relativos à validação científica deste campo do conhecimento referente ao pan-africanismo, destacando que a formulação produzida é autônoma com relação ao afrocentrismo e ao eurocentrismo. Portanto, não faz parte de nenhuma dessas duas grandes correntes do pensamento e sim propõe uma via alternativa.
Reporting and Representation of Participant Race and Ethnicity in National Institutes of Health–Funded Pediatric Clinical Trials
Authors: Lee Lois K. , Narang Claire , Rees Chris A. , Thiagarajan Ravi R. , Melvin Patrice , Ward Valerie , Bourgeois Florence T.
Published: August 2023

Importance

Enrolling racially and ethnically diverse pediatric research participants is critical to ensuring equitable access to health advances and generalizability of research findings.

Objectives

To examine the reporting of race and ethnicity for National Institutes of Health (NIH)–funded pediatric clinical trials and to assess the representation of pediatric participants from different racial and ethnic groups compared with distributions in the US population.

Design, Setting, and Participants

This cross-sectional study included NIH-funded pediatric (ages 0-17 years) trials with grant funding completed between January 1, 2017, and December 31, 2019, and trial results reported as of June 30, 2022.

Exposures

National Institutes of Health policies and guidance statements on the reporting of race and ethnicity of participants in NIH-funded clinical trials.

Main Outcomes and Measures

The main outcome was reporting of participant race and ethnicity for NIH-funded pediatric clinical trials in publications and ClinicalTrials.gov.

Results

There were 363 NIH-funded pediatric trials included in the analysis. Reporting of race and ethnicity data was similar in publications and ClinicalTrials.gov, with 90.3% (167 of 185) of publications and 93.9% (77 of 82) of ClinicalTrial.gov reports providing data on race and/or ethnicity. Among the 160 publications reporting race, there were 43 different race classifications, with only 3 publications (1.9%) using the NIH-required categories. By contrast, in ClinicalTrials.gov, 61 reports (79.2%) provided participant race and ethnicity using the NIH-specified categories (P < .001). There was racially and ethnically diverse enrollment of pediatric participants, with overrepresentation of racial and ethnic minority groups compared with the US population.

Conclusions and Relevance

This cross-sectional study of NIH-funded pediatric clinical trials found high rates of reporting of participant race and ethnicity, with diverse representation of trial participants. These findings suggest that the NIH is meeting its directive of ensuring diverse participant enrollment in the research it supports.
Prefrontal γ-Aminobutyric Acid Levels in Never-Medicated Individuals With Chronic Schizophrenia
Authors: Reyes-Madrigal Francisco , González-Manríquez Luz , Martínez de Velasco Francisco , Mora-Durán Ricardo , Edden Richard A. E. , León-Ortiz Pablo , de la Fuente-Sandoval Camilo
Published: August 2023

This cross-sectional study analyzes spectroscopy data for long-term, never-medicated patients with schizophrenia to examine their levels of γ-aminobutyric acid (GABA) compared with those of healthy controls.
Surgeon Sex and Long-Term Postoperative Outcomes Among Patients Undergoing Common Surgeries
Authors: Wallis Christopher J. D. , Jerath Angela , Aminoltejari Khatereh , Kaneshwaran Kirusanthy , Salles Arghavan , Coburn Natalie , Wright Frances C. , Gotlib Conn Lesley , Klaassen Zachary , Luckenbaugh Amy N. , Ranganathan Sanjana , Riveros Carlos , McCartney Colin , Armstrong Kathleen , Bass Barbara , Detsky Allan S. , Satkunasivam Raj
Published: August 2023

Importance

Sex- and gender-based differences in a surgeon’s medical practice and communication may be factors in patients’ perioperative outcomes. Patients treated by female surgeons have improved 30-day outcomes. However, whether these outcomes persist over longer follow-up has not been assessed.

Objective

To examine whether surgeon sex is associated with 90-day and 1-year outcomes among patients undergoing common surgeries.

Design, Setting, and Participants

A population-based retrospective cohort study was conducted in adults in Ontario, Canada, undergoing 1 of 25 common elective or emergent surgeries between January 1, 2007, and December 31, 2019. Analysis was performed between July 15 and October 20, 2022.

Exposure

Surgeon sex.

Main Outcomes and Measures

An adverse postoperative event, defined as the composite of death, readmission, or complication, was assessed at 90 days and 1 year following surgery. Secondarily, each of these outcomes was assessed individually. Outcomes were compared between patients treated by female and male surgeons using generalized estimating equations with clustering at the level of the surgical procedure, accounting for patient-, procedure-, surgeon-, anesthesiologist-, and facility-level covariates.

Results

Among 1 165 711 included patients, 151 054 were treated by a female and 1 014 657 by a male surgeon. Overall, 14.3% of the patients had 1 or more adverse postoperative outcomes at 90 days and 25.0% had 1 or more adverse postoperative outcomes 1 year following surgery. Among these, 2.0% of patients died within 90 days and 4.3% died within 1 year. Multivariable-adjusted rates of the composite end point were higher among patients treated by male than female surgeons at both 90 days (13.9% vs 12.5%; adjusted odds ratio [AOR], 1.08; 95% CI, 1.03-1.13) and 1 year (25.0% vs 20.7%; AOR, 1.06; 95% CI, 1.01-1.12). Similar patterns were observed for mortality at 90 days (0.8% vs 0.5%; AOR 1.25; 95% CI, 1.12-1.39) and 1 year (2.4% vs 1.6%; AOR, 1.24; 95% CI, 1.13-1.36).

Conclusions and Relevance

After accounting for patient, procedure, surgeon, anesthesiologist, and hospital characteristics, the findings of this cohort study suggest that patients treated by female surgeons have lower rates of adverse postoperative outcomes including death at 90 days and 1 year after surgery compared with those treated by male surgeons. These findings further support differences in patient outcomes based on physician sex that warrant deeper study regarding underlying causes and potential solutions.
Interventions to reduce the negative consequences of interruptions on task performance and individual differences in working memory capacity
Authors: Zhang Han , Kawashima Tomoya , Shinohara Kazumitsu
Published: August 2023

The current study aimed to investigate whether individual differences in working memory capacity (WMC) are associated with differences in the subsequent task performance and whether intervention (interruption onset management) can reduce the negative effects of interruption. Experiment 1 compared task performances before and after interruptions and examined their relationship with WMC. The findings suggested that individuals with high levels of WMC were able to recover more quickly to the same level of performance as prior to the interruption. In Experiment 2, we examined whether manipulating the intervention could mitigate the detrimental effects of the interruption. The results demonstrated that individuals with high levels of WMC made fewer errors after the interruption, which were reduced by interventions for both low‐ and high‐WMC groups. These results confirm that the impact of interruptions is proportional to differences in WMC, and interventions can reduce the negative impact of interruptions irrespective of WMC.
Silk Acid as an Implantable Biomaterial for Tissue Regeneration
Authors: Sun Ziyang , Huang Ruochuan , Lyu Hao , Yu Xin , Wang Wenzhao , Li Jinghang , Lu Xingyu , Guo Chengchen
Published: August 2023

Silk fibroin derived from the domesticated silkworm Bombyx mori is a protein‐based biopolymer with low immunogenicity, intrinsic biodegradability, and tunable mechanical properties, showing great potential in biomedical applications. Using chemical modification to alter the primary structure of silk fibroin enables the expanded generation of new silk‐based biomaterials. Inspired by the molecular structure of hyaluronic acid, which is enriched in carboxyl groups, an efficient method with scaling‐up potential to achieve controlled carboxylation of silk fibroin to prepare silk acid (SA) is reported, and the biological properties of SA are further studied. The SA materials show tunable hydrophilicity and enzymatic degradation properties at different carboxylation degrees (CDs). Subcutaneous implantation in mice for up to 1 month reveals that the SA materials with a high CD present enhanced degradation while causing a mild foreign‐body response, including a low inflammatory response and reduced fibrotic encapsulation. Immunofluorescence analysis further indicates that the SA materials show pro‐angiogenesis properties and promote M2‐type macrophage polarization to facilitate tissue regeneration. This implies great promise for SA materials as a new implantable biomaterial for tissue regeneration.
Co/N co‐doped flower‐like carbon‐based phase change materials toward solar energy harvesting
Authors: Chen Xiao , Wang Lei , Gao Yan , Li Yang , Zhang Xiaowei , Jiang Yu , Wang Ge
Published: August 2023

The photothermal conversion capacity of pristine organic phase change materials (PCMs) is inherently insufficient in solar energy utilization. To upgrade their photothermal conversion capacity, we developed bimetallic zeolitic imidazolate framework (ZIF) derived Co/N co‐doped flower‐like carbon (Co/N‐FLC)‐based composite PCMs toward solar energy harvesting. 3D interconnected carbon framework with low interfacial thermal resistance, abundant carbon defects and high content of nitrogen doping, excellent localized surface plasmon resonance (LSPR) effect of Co nanoparticles, and light absorber Co3ZnC in Co/N‐FLC synergistically upgrade the photothermal capacity of (polyethylene glycol) PEG@Co/N‐FLC composite PCMs with an ultrahigh photothermal conversion efficiency of 94.8% under 0.16 W/cm2. Uniformly anchored Co and Co3ZnC nanoparticles in carbon framework guarantee excellent photon capture ability. Bridging carbon nanotubes (CNTs) in 2D carbon nanosheets further accelerate the rapid transport of phonons by constructing cross‐connected heat transfer paths. Additionally, PEG@Co/N‐FLC exhibits a thermal energy storage density of 100.69 J/g and excellent thermal stability and durable reliability. Therefore, PEG@Co/N‐FLC composite PCMs are promising candidates to accelerate the efficient utilization of solar energy.
Rethinking Chemistry
Authors: Danielmeier Karsten , Schreiner Peter R.
Published: August 2023

The German Chemical Society (GDCh) Board of Directors chose the motto “Rethinking Chemistry” last year to address challenges connected to climate change, loss of natural resources, and geopolitical conflicts as the guiding principle of all our endeavors and actions. Rethinking Chemistry indicates the Board's desire to encourage scientists to approach chemistry in a new way, with a focus on reconsidering the field from many different angles. By taking a holistic approach, the Board intends to foster innovative, sustainable, and effective ways to use chemistry.

Rethinking Chemistry is also the motto of the GDCh Science Forum Chemistry (WiFo) 2023, and a Special Collection on the homepage of Angewandte Chemie is dedicated to this event and its motto. Rethinking Chemistry means something different in each area of chemistry, and the WiFo 2023 as well as this Special Collection of Angewandte Chemie showcase its many facets.
Functional anatomy of mystacial active sensing in rats
Authors: Haidarliu Sebastian , Nelinger Guy , Gantar Luka , Ahissar Ehud , Saraf‐Sinik Inbar
Published: August 2023

Rats' whisking motion and objects' palpation produce tactile signals sensed by mechanoreceptors at the vibrissal follicles. Rats adjust their whisking patterns to target information type, flow, and resolution, adapting to their behavioral needs and the changing environment. This coordination requires control over the activity of the mystacial pad's intrinsic and extrinsic muscles. Studies have relied on muscle recording and stimulation techniques to describe the roles of individual muscles. However, these methods lack the resolution to isolate the mystacial pad's small and compactly arranged muscles. Thus, we propose functional anatomy as a complementary approach for studying the individual and coordinated effects of the mystacial pad muscles on vibrissae movements. Our functional analysis addresses the kinematic measurements of whisking motion patterns recorded in freely exploring rats. Combined with anatomical descriptions of muscles and fascia elements of the mystacial pad in situ, we found: (1) the contributions of individual mystacial pad muscles to the different whisking motion patterns; (2) active touch by microvibrissae, and its underlying mechanism; and (3) dynamic position changes of the vibrissae pivot point, as determined by the movements of the corium and subcapsular fibrous mat. Finally, we hypothesize that each of the rat mystacial pad muscles is specialized for a particular function in a way that matches the architecture of the fascial structures. Consistent with biotensegrity principles, the muscles and fascia form a network of structural support and continuous tension that determine the arrangement and motion of the embedded individual follicles.
Output feedback distributed optimization algorithms of second‐order Lipschitz nonlinear multi‐agent systems
Authors: Li Guipu , Li Chen‐Long , Yuan Jie
Published: August 2023

This paper introduces output feedback distributed optimization algorithms designed specifically for second‐order nonlinear multi‐agent systems. The agents are allowed to have heterogeneous dynamics, characterized by distinct nonlinearities, as long as they satisfy the Lipschitz continuity condition. For the case with unknown states, nonlinear state observers are designed first for each agent to reconstruct agents' unknown states. It is proven that the agents' unknown states are estimated accurately by the developed state observers. Then, based on the agents' state estimates and the gradient of each agent local cost function, a kind of output feedback distributed optimization algorithms are proposed for the considered multi‐agent systems. Under the proposed distributed optimization algorithms, all the agents' outputs asymptotically approach the minimizer of the global cost function which is the sum of all the local cost functions. By using Lyapunov stability theory, convex analysis, and input‐to‐state stability theory, the asymptotical convergence of the output feedback distributed optimization closed‐loop system is proven. Simulations are conducted to validate the efficacy of the proposed algorithms.
Akustische Metamaterialien für die Anwendung als Schalldämpfer
Authors: Brandstätt Peter , Rohlfing Jens , Troll Agostino
Published: August 2023

Der Beitrag berichtet über akustische Metamaterialien (AMM) und deren Anwendung in der Kanalakustik als Schalldämpfer. AMM stehen auch in diesem Kontext im Fokus aufgrund ihrer vielversprechenden Eigenschaften. In der Literatur finden sich theoretische Betrachtungen und einige Demonstratoren, aber aufgrund der oft schwierigen Fertigung wenig praktische Umsetzungen. Durch die Zunahme additiver und anderer Fertigungstechniken lassen sich mittlerweile einige, vor allem kleinformatige Resonatorstrukturen herstellen, die aber nicht den in raumluft‐ und prozesslufttechnischen Anlagen wichtigen Frequenzbereich zwischen 100 Hz und 500 Hz adressieren können. Daher wurden im Projekt „MetaVib“ Varianten untersucht und entwickelt, die sich auf diesen Frequenzbereich fokussieren. Die Ergebnisse zeigen ihre Wirksamkeit und Umsetzbarkeit gleichermaßen.
Zur Kinetik der Boudouard‐Reaktion (Adsorption und 14C‐Austausch)
Authors: Freundlich J.
Published: August 2023

Bonner und Turkevich1) haben, zum Teil in Anlehnung an frühere Vorstellungen, für die Boudouard‐Reaktion CO2 + C → 2CO einen zweistufigen Mechanismus entwickelt. Der erste, zur Bildung eines „Oberflächenoxyds”︁ (CO) führende Schritt CD2 + C → CO + (CO) soll schnell ablaufen; der zweite, unter Zerfall des Oberflächenoxyds und Desorption von CO (CO) → CO langsam, und damit geschwindigkeitsbestimmend sein. Diese Vorstellung widerspricht einer Reihe anderweitiger Befunde bei der Boudouard‐Reaktion2); zur Aufklärung wurden die Versuche von Bonner und Turkevich nachgeprüft. Die Meßergebnisse dieser Autoren konnten unter gewissen Umständen reproduziert werden, gerade diese Umstände erfordern jedoch eine andere Interpretation der Ergebnisse. Mit der verwendeten Meßanordnung ist es unter günstigen Bedingungen möglich, die Adsorptionsprozesse an der Kohleoberfläche auch dann zu verfolgen, wenn gleichzeitig die Boudouard‐Reaktion abläuft. Tracermessungen mit radioaktivem 14C sowie Desorptionsversuche lieferten zusätzliche Ergebnisse, aus deren Gesamtheit darauf geschlossen werden kann, daß der erste der oben genannten Schritte für die Boudouard‐Reaktion geschwindigkeitsbestimmend sein dürfte.
Zur Kinetik des Thermischen Methanzerfalls
Authors: Von Bogdandy L. , Rutsch W. , Stranski I. N.
Published: August 2023

Zunächst werden Versuche in einer Durchströmungsapparatur beschrieben, bei denen CH4/H2‐Gemische bei verschiedenen Temperaturen und Verweilzeiten nach CH4 = C + 2H3 zersetzt werden. Durch Verfolgung der Lichtschwächung im Reaktionsrohr und elektronenoptische Untersuchungen wurde gleichzeitig die Entwicklung des Rußes nach Menge und Korngröße gemessen. Die Experimente zeigen, daß der Zersetzungsgrad proportional zur Verweilzeit in der Reaktionszone und bei steigender Temperatur schneller erfolgt, stets aber weitab vom Gleichgewicht bleibt. Die Zersetzung im Quarzrohr läuft homogen, d.h. im Innern der Gasphase ab. Vorher zugegebener H2 hemmt die Reaktionsgeschwindigkeit wesentlich stärker als durch eine Gegenreaktion erklärbar ist. Es ergab sich: v ∼ PH, wobei v die Zersetzungsgeschwindigkeit und PH2 den Partialdruck des H2 im Ausgangsgemisch mit CH4 bedeuten. Die elektronenoptische Verfolgung des gebildeten Rußes zeigt, daß bei höheren H2‐Gehalten nicht so sehr die Keimbildungsgeschwindigkeit als vielmehr das Wachstum der Rußpartikelchen gehemmt wird.

Dieser Befund läßt sich im Sinne der Kristallwachstumstheorie unter Berücksichtigung der Adsorptionsschichten deuten.
Untersuchungen über den Mechanismus der katalysierten Phasengrenzreaktion von Wasserstoff mit Palladium, Tantal und Titan
Authors: Küssner A.
Published: August 2023

Die autokatalytische Bildung metallartiger Hydride und die katalytische Wasserstoffübertragung auf hydridbildende Metalle lassen vermuten, daß der Phasengrenzreaktion des Wasserstoffes an diesen Metallen eine atomare Adsorption in Spalten molekularer Dimensionen vorangeht. Diese Vermutung konnte durch mehrere voneinander unabhängige Beobachtungen an Palladium, Tantal und Titan gestützt werden. Ausgehend von einer einfachen Modellvorstellung wird ein Mechanismus für die Phasengrenzreaktion des Wasserstoffes vorgeschlagen, bei dem solche Spalten und Korngrenzen in Metall als katalytisch aktive Stellen von Bedeutung sind.

Die Wasserstoffübertragung auf Folien einer Palladium‐Silber‐Legierung läßt sich sowohl zur Nutzbarmachung von Wasserstoff zur elektrochemischen Energiegewinnung als auch zu seiner Reinstdarstellung bei Zimmertemperatur anwenden.
Liquid Diffusion Cascades
Authors: Miller L.
Published: August 2023

Some examples of liquid diffusion cascades for the enrichment of isotopes are presented. The results are discussed in terms of diffusion times and separation factors.
Molecular Alignment in Dipolar Liquids
Authors: Hilbers C. W. , Maclean C.
Published: August 2023

Examples are given of the influence of a strong externally applied electric field on NMR spectra. From these measurements the molecular alignment, induced by the electric field, can be obtained. The alignment does not only depend on the molecular dipolemoment and polarizability, but also on angular correlations between the molecules in the liquid. For acetonitrile the intermolecular short range interactions have been found to be of limited importance. This is contrary to the situation in liquid nitrobenzene.
Dielectric Relaxation and Chemical Exchange
Authors: Anderson J. E.
Published: August 2023

The coupling between molecular rotation and chemical exchange has been treated in several recent articles. It has been demonstrated that relaxation experiments can distinguish systems exchanging more slowly than the rate of molecular rotation from systems experiencing faster exchange. In analysing such experiments, however, one must draw careful distinctions between active and inactive relaxation mechanisms. The present article deals with these distinctions. The variation of dielectric relaxation with composition is analysed in several limiting situations. It is shown that “slow” and “fast” exchange are distinguishable in general, but that the treatment of experimental data will vary in different cases.
Processus de relaxations électriques dans les solutions électrolytiques
Authors: Badiali De J. P. , Cachet H. , Lestrade J. C.
Published: August 2023

Eine spektrale Übertragungsfunktion von Elektrolyten wird mit der Autokorrelationsfunktion des elektrischen Momentes der Gesamtheit der Ionen in einem gegebenen Volumen verknüpft.— Es wird ein statistisches Modell vorgeschlagen, das den Ladungstransport beschreibt und zu einer Klasse von Funktionen führt, die im allgemeinen nicht exponentiell sind. Ein Spezialfall (lineare Brownsche Bewegung zwischen den Stößen) führt zu einem analytischen Ausdruck für die Ionenrelaxation. Messungen der komplexen DK an Lösungen von Lithiumperchlorat in Äthylacetat und in Tetrahydrofuran werden mit Hilfe des vorgeschlagenen Modells interpretiert und führen zu einer qualitativen bzw. quantitativen Bestätigung.
Shapes of Near‐, Middle‐, and Far‐Infrared and Raman Bands of HCl in solution
Authors: Perrot M. , Huong P. V. , Lascombe J.
Published: August 2023

Absorption band shapes of HCl in solution in various solvents was studied in the far‐, middle‐, and near‐infrared regions. The vibrational Raman band of HCl in carbon tetrachloride was also investigated. Hydrogen deuterium substitution shows that rotational relaxation accounts for most of the far‐infrared profiles. It also explains, to a large extend, the fundamental and overtone vibrational absorptions. Nevertheless a carefull comparison between the profiles observed in the various regions suggests that vibrational relaxation also influences vibrational band shapes. This relaxation results from fluctuations of the environment of solute molecules and also from the rotation‐vibration interaction. The analysis of the Raman band shape agrees with this conclusion.
Light Scattering and Depolarization in Dense Gases
Authors: Trappeniers N. J.
Published: August 2023

The principal features of the theory of light scattering in a dilute (ideal) gas of isotropic molecules were established by Lord Rayleigh in a series of classical papers, the first of which appeared in 1871. The intensity of the scattered light depends on the inverse fourth power of the wavelength and is obtained by simply summing the contribution of independent molecules.

In a dense medium of interacting particles the situation is more complicated as the interference between the waves scattered by the particles must be taken into account. A simple, but elegant technique of dealing with this situation is the “thermodynamic method”, initiated by Smoluchowsky and Einstein (1910). It relates light scattering directly to density fluctuations in the medium without actually referring to the molecules and it yields a scattering formula in terms of the isothermal compressibility of the medium. In 1926 Zernike and Ornstein showed that in the vicinity of the critical point the spatial correlations of fluctuations become important, while Cabannes (1929) worked out the treatment of light scattering and depolarization in a system of anisotropic molecules.

The modern molecular theory deals with the problem of interference in a rather direct way. The scattered waves from different molecules are added together, taking into account the varying phases and an average over all positions is performed by means of the radial distribution function. In a first order treatment the familiar Smoluchowsky‐Einstein formula is recovered (Zimm 1945), in higher order the theory permits to take into account the effect of induced dipole scattering and it predicts the occurrence of depolarization even in systems of isotropic particles. At high density, however, the theory in its present form is unsatisfactory in that it is not capable of dealing adequately with structural effects in the medium.

The molecular theory of scattering by anisotropic molecules (Benoît and Stockmayer) extends the classical Cabannes treatment by taking into account orientational correlations. A short survey will be given of recent improvements of this theory by including induced dipolar scattering. When the depolarization of scattered light as function of density is calculated for a system of anisotropic molecules it shows a minimum in the critical region but it remains finite. This is in accordance with recent measurements of depolarization in CO2 in the critical region, which will be briefly described.
The Thermodynamics of the Critical Point in One‐Component Systems
Authors: Rowlinson J. S.
Published: August 2023

This review opens with a discussion of the classical description of critical points, and its extension. It is shown that the experimental results do not conform either to the original or to the extended description, although the latter has some features that are to be found both in real fluids and in model systems. However the essential similarity of the results for different fluids has led to the development of the so‐called scaling hypotheses These are empirical relations of simple form which describe the properties of all fluids by means of a suitably scaled equation for chemical potential as a function of density and temperature. They provide concise descriptions of the known singularities in the thermodynamic functions but tell us nothing of the molecular causes responsible for this behaviour. The final section is a brief account of some recent attempts to devise continuum models which have realistic critical points but for which the statistical mechanics is reasonably tractable.
The Specific Heat Singularity at the Critical Point
Authors: Buckingham M. J.
Published: August 2023

The special difficulties associated with accurate measurement of the specific heat of a fluid near its critical point are discussed. These include limitations due to gravity and to critical slowing down. An elaborate method adapted to these limitations is described; it permits precision measurements of heat capacity to be recorded directly and automatically. Results for CO2 show that α = 1/8 ± 0.01.
Semi‐Statistical Theory of the Liquid‐Gas Equilibrium
Authors: Koefoed J.
Published: August 2023

The qualitative success of hole models has never been followed up by any success in quantitative calculations when more than one property should be accounted for with one set of fitted parameters. A theory which gives a higher entropy of mixing than Nk In 2 is described. It is based upon a simple division of the translational energy levels in two bands. The calculations are exactly like those of a mixture of two isomers in chemical equilibrium and give a maximum entropy of mixing of 3 N k In 2. Critical states can also be included in this description.
Thermodynamic Properties of the System CH4‐CF4 in the Neighborhood of the Upper Critical Solution Temperature
Authors: Simon M. , Fannin A. A. , Knobler C. M.
Published: August 2023

Measurements are reported of the coexistence curve and total pressure‐composition isotherms for the liquid system CH4‐CF4 in the neighborhood of the upper critical solution temperature. Values of the difference in chemical potential between the two components, μ1 ‐ μ2, have been calculated from the vapor pressure data and it is shown that the requirements for scaling are fulfilled over a large range of composition if volume fraction is chosen as the other variable. The results are compared with analogous data for one‐component systems and values of critical exponents are reported.
Measurements of the Vapour Pressures and Critical Data of Ammonium Halides
Authors: Buback M. , Franck E. U.
Published: August 2023

In order to determine the vapour‐pressure curve and the critical constants of ammonium halides, a high pressure autoclave was built for operation to 2000 bars and temperatures to 900°C. The highly corrosive ammonium salts are contained in internal cells made from gold‐platinum alloy or sapphire. Different types of such internal cells can be introduced into the autoclave enabling optical, conductivity, and PVT‐measurements of the gaseous and liquid phases to be made.

Measured values for the vapour‐pressure curve of NH4Cl are reported. The critical temperature and critical pressure of NH4Cl are determined to be 882 ± 15°C and 1635 ± 20 bar respectively. The value 0.5 which is obtained for the critical exponent β of NH4Cl is compared with β‐values of other substances.
Phase Diagrams for Hydrogen in Metals as Deduced from Ferroelastic Properties
Authors: Alefeld G.
Published: August 2023

Qualitative and partly quantitative arguments in favour of the interpretation that the long‐range elastic dipole‐dipole interaction is responsible for phase transitions of hydrogen in metals are presented. The measurement of the response of interstitially dissolved hydrogen to an applied external elastic field yield certain combinations of the components of the elastic dipole moment tensor. These combinations determine the interaction energies which are relevant for the phase transitions “condensations” and “ordering” of hydrogen. Experimental results of Gorsky‐Effect measurements on H in V, Nb, Ta, Pd are discussed.
Entmischungserscheinungen in Palladium‐Legierungen
Authors: Brodowsky H.
Published: August 2023

Die Aktivitätsisothermen von Wasserstoff und von Bor in Palladium lassen sich in detaillierter Weise durch zwei Effekte deuten: 1. Durch den Anstieg der Fermi‐Energie bei der Auffüllung der Elektronenbänder des Palladiums und 2. durch eine mit der Gitterverzerrung verknüpfte Attraktionswechselwirkung der gelösten Teilchen. Im Bereich der 4d‐Bandauffüllung steigt die Fermi‐Energie nur sehr geringfügig an, die Attraktionswechselwirkung überwiegt und führt unterhalb einer kritischen Temperatur zu einer Entmischung. In beiden Systemen besitzen die Mischungslücken die Form leicht asymmetrischer Parabeln, deren Zweige der Gleichung n‐nc = ± ai(Tc‐T)β gehorchen. Dabei bedeuten: n das Atomverhältnis der koexistierenden Phasen (H/Pd oder B/Pd), T die absolute Temperatur und ai einen Faktor, der für die Systeme und in geringerem Ausmaß auch für die verschiedenen Zweige unterschiedliche Werte besitzt. Der kritische Exponent β ergibt sich zu β = 0,5 ± 0,05 für 0,01 < (Tc ‐ T)/Tc < 0,10. In den ternären Systemen Pd/Me/H kann durch die Komponente Me = Ag, Cd, In, Sn, Sb in überschaubarer Weise auf den Aktivitätsverlauf und auf die Form und die Lage der Mischungslücke des gelösten Wasserstoffs Einfluß genommen werden, wobei sowohl die Zahl der verfügbaren 4d‐Lücken als auch die Attraktionswechselwirkung in weiten Grenzen geändert werden können. Auch bei den binären Systemen Pd/Me lassen sich die Abweichungen vom idealen Mischungsverhalten der durch die beiden oben genannten Effekte deuten. So wird bei diesen Systemen auf Grund der Aktivitätsdaten im Bereich der 4d‐Bandlücken bei tiefen Temperaturen eine Entmischung erwartet, wofür es im Fall Pd/Ag bereits eine Reihe von experimentellen Hinweisen gibt (Tc ≠ 600 K). Es ist bemerkenswert, daβ die Mischungsenthalpien in diesen Systemen stark exotherm sind; die Entmischungstendenz beruht hier auf einer negativen Krümmung des Konzentrationsverlaufs der Mischungsenthalpien auf der Seite der palladiumreichen Legierungen.
Visible‐light‐mediated synthesis of 3‐arylsulfonylated thioflavones using an in situ activation strategy
Authors: Na Sangcheol , Lee Anna
Published: August 2023

We have developed a visible‐light‐mediated synthesis of 3‐arylsulfonylated thioflavones using an in situ‐activation strategy. The reaction proceeds through a one‐pot, three‐component pathway, without the need for sensitive or harsh reaction conditions. Organic photocatalysts were employed to generate aryl radicals more efficiently from aryl diazonium salts generated in situ. This method enables the synthesis of 3‐arylsulfonylated thioflavones from aryl amines and methylthiolated alkynones, utilizing potassium metabisulfite as an inexpensive source of sulfur dioxide. The resulting products were obtained under mild reaction conditions. This approach provides an efficient alternative pathway for synthesizing thioflavone derivatives, which are prevalent among various bioactive compounds.
Voxel‐based clustered imaging by multiparameter diffusion tensor images for predicting the grade and proliferative activity of meningioma
Authors: Takahashi Yuki , Oishi Naoya , Yamao Yukihiro , Kunieda Takeharu , Kikuchi Takayuki , Fukuyama Hidenao , Miyamoto Susumu , Arakawa Yoshiki
Published: August 2023

Introduction

Meningiomas are the most common primary central nervous system tumors. Predicting the grade and proliferative activity of meningiomas would influence therapeutic strategies. We aimed to apply the multiple parameters from preoperative diffusion tensor images for predicting meningioma grade and proliferative activity.

Methods

Nineteen patients with low‐grade meningiomas and eight with high‐grade meningiomas were included. For the prediction of proliferative activity, the patients were divided into two groups: Ki‐67 monoclonal antibody labeling index (MIB‐1 LI) < 5% (lower MIB‐1 LI group; n = 18) and MIB‐1 LI ≥ 5% (higher MIB‐1 LI group; n = 9). Six features, diffusion‐weighted imaging, fractional anisotropy, mean, axial, and radial diffusivities, and raw T2 signal with no diffusion weighting, were extracted as multiple parameters from diffusion tensor imaging. The two‐level clustering approach for a self‐organizing map followed by the K‐means algorithm was applied to cluster a large number of input vectors with the six features. We also validated whether the diffusion tensor‐based clustered image (DTcI) was helpful for predicting preoperative meningioma grade or proliferative activity.

Results

The sensitivity, specificity, accuracy, and area under the curve of receiver operating characteristic curves from the 16‐class DTcIs for differentiating high‐ and low‐grade meningiomas were 0.870, 0.901, 0.891, and 0.959, and those from the 10‐class DTcIs for differentiating higher and lower MIB‐1 LIs were 0.508, 0.770, 0.683, and 0.694, respectively. The log‐ratio values of class numbers 13, 14, 15, and 16 were significantly higher in high‐grade meningiomas than in low‐grade meningiomas (p < .001). With regard to MIB‐1 LIs, the log‐ratio values of class numbers 8, 9, and 10 were higher in meningiomas with higher MIB‐1 groups (p < .05).

Conclusion

The multiple diffusion tensor imaging‐based parameters from the voxel‐based DTcIs can help differentiate between low‐ and high‐grade meningiomas and between lower and higher proliferative activities.
Meta‐analysis of peripheral mean platelet volume in patients with mental disorders: Comparisons in depression, anxiety, bipolar disorder, and schizophrenia
Authors: Chen Zhichao , Wang Jing , Carru Ciriaco , Sedda Stefania , Nivoli Alessandra Matilde , Li Zhi
Published: August 2023

Background

There is a growing interest in the role of immune and inflammatory responses in mental disorders (MDs). Mean platelet volume (MPV) is an extensively utilized hemogram parameter that reflects systemic inflammation and immune function. Our research sought to determine whether a connection exists between MPV and various types of MDs.

Methods

We searched PubMed, EMBASE, PsychINFO, and Web of Science for eligible studies from inception to 15 February 2023, supplemented by manual searching the references from relevant articles. We applied standardized mean difference (SMD) and its 95% confidence interval (CI) to estimate the differences in MPV values in patients with MDs compared to controls.

Results

We analyzed data from 24 surveys with 4843 participants (2450 patients with MDs and 2393 healthy controls). Two‐step meta‐analyses were conducted to estimate the SMD in MPV value between individuals with and without MDs. Higher MPV values were substantially linked to MDs (i.e., depression, anxiety, bipolar disorder, and schizophrenia). Moderator and stratified analyses revealed that the aggregate effects were more robust in specific populations, such as younger patients and those who had not taken antipsychotic medication within the previous month.

Conclusions

Our findings corroborate the role of inflammatory response in the pathogenesis of MDs and the pharmacological treatment of these conditions. Regarding the considerable heterogeneity among studies, the level of evidence was very low to moderate.
Cinétique de L'action de L'acide Nitreux sur les Amides II. Amides Aliphatiques
Authors: Jaz J. , Bruylants A.
Published: August 2023

Les auteurs ont élaboré une méthode de micro‐azotométrie permettant l'étude cinétique de l'action de l'acide nitreux sur les amides. Les cinq amides étudiées sont l'acétamide (I), la propanamide (II), la butanamide (III), l'isobutanamide (IV) et l'acide succinamique (V). La réaction obéit à l'équation:.

où k2. en l.m‐1 s‐1 à 25°C vaut 0°, 15 pour I, 0,34 pour II, 0,16 pour III, 0,20 pour IV, 0,29 pour V. L'énergie d'activation s'élève en moyenne à 13 Kcal.m‐1. Le mécanisme proposé comporte, comme étape déterminante, l'attaque de la fonction amide par le chlorure de nitrosyle.

Dans les limites de précision habituelles, la corrélation log (k/k0) ‐ Es = ρ*σ* se trouve être vérifiée.
Facile One‐Pot Three Component Synthesis, Characterization, and Molecular Docking Simulations of Novel α‐Aminophosphonate Derivatives Based Pyrazole Moiety as Potential Antimicrobial Agent
Authors: Noser Ahmed A. , Ibrahim Seham A. , Saad‐Allah Khalil M. , Salem Maha M. , Baren Mohamed H.
Published: August 2023

An efficient method has been developed for the synthesis of novel α‐aminophosphonates (AAP) (3 a–m) through a one‐pot three‐component reaction of 1,3‐disubstituted‐1H‐pyrazol‐5‐amine, aromatic aldehydes, and phosphite using lithium perchlorate as catalyst. All newly synthesized compounds were characterized via different spectroscopic techniques. The synthesized compounds′ mode of action was investigated using molecular docking against the outer membrane protein A (OMPA) and exo‐1,3‐β‐glucanase, with interpreting their pharmacokinetics aspects. The results of the antimicrobial effectiveness of these compounds revealed a broad spectrum of their biocidal activity and this in‐vitro study was in line with the in‐ silico results. Additionally, it has been demonstrated that these compounds exhibited a minimum inhibitory concentration (MIC) with significant activity at low concentrations (7.5–30.0 mg/mL). Further, the radical scavenging (DPPH*) activity of the synthesized compounds fluctuated, with compounds 3 h, 3 a, and 3 f showing the highest antioxidant activity. Overall, the formulated compounds can be employed as antimicrobial and antioxidant agents in medical applications.
Non‐Hydrolysable Analogues of Cyclic and Branched Condensed Phosphates: Chemistry and Chemical Proteomics
Authors: Dürr‐Mayer Tobias , Schmidt Andrea , Wiesler Stefan , Huck Tamara , Mayer Andreas , Jessen Henning J.
Published: August 2023

Studies into the biology of condensed phosphates almost exclusively cover linear polyphosphates. However, there is evidence for the presence of cyclic polyphosphates (metaphosphates) in organisms and for enzymatic digestion of branched phosphates (ultraphosphates) with alkaline phosphatase. Further research of non‐linear condensed phosphates in biology would profit from interactome data of such molecules, however, their stability in biological media is limited. Here we present syntheses of modified, non‐hydrolysable analogues of cyclic and branched condensed phosphates, called meta‐ and ultraphosphonates, and their application in a chemical proteomics approach using yeast cell extracts. We identify putative interactors with overlapping hits for structurally related capture compounds underlining the quality of our results. The datasets serve as starting point to study the biological relevance and functions of meta‐ and ultraphosphates. In addition, we examine the reactivity of meta‐ and ultraphosphonates with implications for their “hydrolysable” analogues: Efforts to increase the ring‐sizes of meta‐ or cyclic ultraphosphonates revealed a strong preference to form trimetaphosphate‐analogue structures by cyclization and/or ring‐contraction. Using carbodiimides for condensation, the so far inaccessible dianhydro product of ultraphosphonate, corresponding to P4O112−, was selectively obtained and then ring‐opened by different nucleophiles yielding modified cyclic ultraphosphonates.
Complexation‐Triggered Fluctuation of π‐Conjugation on an Antiaromatic Dicyanoanthracene Dianion
Authors: Imagawa Taiki , Okazawa Kazuki , Yoshizawa Kazunari , Yoshida Hiroto , Shang Rong , Yamamoto Yohsuke , Nakamoto Masaaki
Published: August 2023

The formation of Lewis pairs is an important chemical concept. Recently, the complexation of Lewis acidic tris(pentafluorophenyl)borane with Lewis basic moieties and subsequent reduction has emerged as a fascinating strategy for designing novel reactions and structures. The impact of the complexation and subsequent reduction of antiaromatic systems bearing Lewis base moieties has been investigated. We found how Lewis adduct formation stabilizes an antiaromatic system consisting of 9,10‐dicyanoanthracene and tris(pentafluorophenyl)borane by using synthesis, X‐ray crystallography, spectroscopic analysis, and quantum chemical calculations.
Preparation ofZIF‐8—Pebax 1657 nanocomposite membranes forn‐hexane/nitrogen separation as a representative of gasoline vapour recovery
Authors: Lorvand Shabnam , Bakhtiari Omid
Published: August 2023

Gasoline vapour emission is hazardous to both human health and the ecosystem and also results in capital loss, altogether revealing the necessity of its recovery. Some ZIF‐8–Pebax flat nanocomposite membranes were fabricated by the method of solution casting and used for gasoline vapour recovery as represented byn‐hexane vapour/nitrogen separation. Microporous ZIF‐8 nanoparticles were synthesized and characterized by Fourier transform infrared (FTIR) and Brunauer–Emmett–Teller (BET) analysis. BET results revealed specific surface area, total volume, and average pore diameter of 940.8 m2 · g−1, 0.36 cm3 · g−1, and 1.54 nm, respectively. Pure nitrogen andn‐hexane vapour/nitrogen gas mixture permeabilities were measured through the membranes. There was a decline in both permeation rate and selectivity up to 5.0 wt.% of ZIF‐8 loading and the next increment at their higher loadings to considerably more values that the pristine membrane. The maximumn‐hexane vapour permeability and selectivity at 10.0 wt.% loading of ZIF‐8 nanoparticles, the feed flow rate of 173 mL · min−1, and permeate side pressure of −200 mbar were observed as 280.1 Barrer and 106.7, respectively, revealing 60.0% and 36.9% improvements compared with those of the pristine Pebax membrane. Observed 86%–92%n‐hexane vapour recovery approves the successful application of the ZIF‐8–Pebax nanocomposite membranes forn‐hexane/nitrogen separation. The long‐term separation performance of 5.0 wt.% ZIF‐8 loaded nanocomposite membrane was improved by 76.5% compared with that of the pristine Pebax membrane.
Impact of Top Electrodes (Cu, Ag, and Al) on Resistive Switching behaviour of Cu‐rich Cu2ZnSnS4(CZTS) Ideal Kesterite
Authors: Kumar Yadav Ankit , Prakash Chandra , Pandey Akhilesh , Dixit Ambesh
Published: August 2023

Cu2ZnSnS4(CZTS) active material‐based resistive random‐access memory (RRAM) devices are investigated to understand the impact of three different Cu, Ag, and Al top electrodes. The dual resistance switching (RS) behaviour of spin coated CZTS on ITO/Glass is investigated up to 102cycles. The stability of all the devices (Cu/CZTS/ITO, Ag/CZTS/ITO, and Al/CZTS/ITO) is investigated up to 103 sec in low‐ (LRS) and high‐ (HRS) resistance states at 0.2 V read voltage. The endurance up to 102cycles with 30 msec switching width shows stable write and erase current. Weibull cumulative distribution plots suggest that Ag top electrode is relatively more stable for set and reset state with 33.61 and 25.02 shape factors, respectively. The charge carrier transportation is explained by double logarithmic plots, Schottky emission plots, and band diagrams, substantiating that at lower applied electric field intrinsic copper ions dominate in Cu/CZTS/ITO, whereas, at higher electric filed, top electrodes (Cu and Ag) dominate over intrinsic copper ions. Intrinsic Cu+in CZTS plays a decisive role in resistive switching with Al electrode. Further, the impedance spectroscopy measurements suggest that Cu+and Ag+diffusion is the main source for the resistive switching with Cu and Ag electrodes.
Compact three‐phase multilevel inverter with boosting capability for low‐power three‐phase induction motor drive
Authors: Kheyri Ramin , Narm Hossein Gholizadeh , Babaei Ebrahim
Published: August 2023

This paper proposes a step‐up three‐phase multilevel inverter based on switched capacitor (SC) cells. The prominent features of this inverter are the reduction of the number of components (such as switches, capacitors, and sources) and the ability to boost the voltage. Also, the self‐voltage balancing of the capacitors of this inverter is one of the other features of this inverter. The level‐shifted pulse width modulation (LS‐PWM) method has been used for switching, making the output currents' total harmonic distortion (THD) low. The article has presented the experimental results of this inverter with a three‐phase induction motor with a power of 1.1 kW as a load.