bluuebunny/crossref_metadata_2025 huggingface dataset:
A Sufficient Descent 3-Term Conjugate Gradient Method for Unconstrained Optimization Algorithm
Authors: Al-Naemi Ghada Moayid , AbdulQader Samaa
Published: December 2023

In recent years, 3-term conjugate gradient algorithms (TT-CG) have sparked interest for large scale unconstrained optimization algorithms due to appealing practical factors, such as simple computation, low memory requirement, better sufficient descent property, and strong global convergence property. In this study, minor changes were made to the BRB-CG method used for addressing the optimization algorithms discussed. Then, a new 3-term BRB-CG (MTTBRB) was presented. This new method solved large-scale unconstrained optimization problems. Despite the fact that the BRB algorithm achieved global convergence by employing a modified strong Wolfe line search, in this new MTTBRB-CG method the researchers employed the classical strong Wolfe-Powell condition (SWPC). This study also attempted to quantify how much better 3-term efficiency is than 2-term efficiency. As a result, in the numerical analysis, the new modification was compared to an effective 2-term CG- method. The numerical analysis demonstrated the effectiveness of the proposed method in solving optimization problems.
A Study of Nuclear Structure of (Mo^96,98) by Using Interacting Boson Model-1
Authors: Ghafoor Berun Nasralddin
Published: December 2023

In this study, the interacting Boson Model (IBM-1) was used to find the best Hamiltonian structure for studying the (Mo^96,98)  structure. For generating the Hamiltonian structure, the calculated energy levels (ground, beta, and gamma bands) and B(E2) transitions for (Mo^96,98) were explored using the optimal parameter values. According to this study and the IBM test findings, (Mo^96,98) are stable isotopes of Molybdenum, and their transition behaviors are close to the SU(5) limitations. When comparing the findings to the experimental data, they demonstrated a good agreement.
The Effects of Zinc Oxide nanoparticles synthesized from Eucalyptus plant extracts against mealworm stages Tenebrio molitor L., 1758 (Tenebrionidae: Coleopetera)
Authors: Omar Saher Taher , Ali Wand Khalis , Karim Ayoub Sabir
Published: December 2023

Despite the widespread utilization of Zinc Oxide nanoparticles (ZnO NPs) in different areas, there have been several studies regarding their toxicity. Thus, this study aimed to produce zinc oxide nanoparticles using a simple and eco-friendly biosynthesis process, utilizing the Eucalyptus (Eucalyptus camaldulensis Dehn.) as a reducing agent. It also aimed to estimate their insecticidal efficacies toward the mealworm's stages (Tenebrio molitor L.,1758(. The produced ZnO nanoparticles were characterized by X-ray diffraction, UV–visible, and transmission electron microscopy (TEM). The laboratory experiment was carried out with one way of exposure, using the feeding method through immersing the leaf in ZnO NPs solution with different concentrations. The mortality effects on insect's stages were recorded in various periods of time. The statistical analysis results indicated the presence of noteworthy variations in the average mortality rate according to insect's stage, showing a different effect on the average of larval mortality rate. In this regard, the highest average of larval mortality rate was recorded at 5000ppm (61.25%); while the general average percentage of adult emergence was (42.53%). After three weeks, the highest general mean of adult mortality was obtained at 5000ppm (87.48%). Similarly, the LC50 value of the ZnO NPs derived from the used plant extract against the larval stage was (3630.78 ppm). This result revealed that Zinc Oxide Nanoparticles from plant extract sources have both larvicidal and adulticidal properties and they could serve as an eco-friendly alternative to synthetic insecticides for controlling insect's stages. Hence, the biogenic Zinc Oxide Nanoparticles can be used as a potential bio-insecticidal agent for the future.
Introducción. Paradojas de la innovación: resignificando el futuro desde el paradigma de género
Authors:   Universidad de La Laguna, Dios Rodríguez Mónica D. , Pérez Rosales Elisa ,   Universidad de La Laguna
Published: December 2023

Introduction
La resignificación del futuro: una reconceptualización del concepto de igualdad
Authors:   Universidad de La Laguna, Sierra González Ángela
Published: December 2023

"The term “resignification” leads us to a conceptualization that involves an act of granting a new meaning or, of a change of interpretive meaning, to actions, contexts, and experiences. This means that the resignification supposes to confer a value, or a meaning different from the one used to the circumstances to which it is applied. Thus, giving new meaning to experiences consists in assigning another meaning to them, and it should be added that assigning a new meaning to lived experiences is the end of a process that is carried out from another perspective. Giving new meaning, then, is fundamental for the transformation of the perception of the lived contexts themselves and their implications. The punctual and discontinuous moments of the assumed experience of the «moments of being» are transformed, to dignify them or, on the contrary, to devalue them. In this work, certain future projections are analyzed, which are considered not only as possible, but also as desirable. It is about seeing if the promised futures are such or if they continue to be a part of a present of inequalities."
Enseñar como lectoras: literaturas polifónicas para narrativas heterográficas
Authors:   Universidad de La Laguna, Pais Álvarez Natalia
Published: December 2023

Gender studies are an indisputable contribution to pedagogy and epistemology-oriented innovation. In this regard, the meaning conferred to the concept of innovation is gradually defined. To innovate is to retake, with a transforming will, the best of the legacy and to dismiss the outdated, it is to give and legitimize the voices of those silenced by history and give them the possibility to rewrite the forgotten; also to innovate demands to make visible and viralize reality, to validate pedagogical proposals that have as a driving force the struggle for dignities, that do not turn their backs on the climate and ecological crisis. In this regard, it is essential to analyze the link between Pedagogy and Literature, disciplines that converge in their political dimension from an ecocritical and gynocritical approach to the written legacy and new textualizations, capable of generating a polyphonic chorus that can transgress the limits imposed by a predominantly male canon.
Trazos disruptivos: hacia una radical novedad
Authors:   Universidad de La Laguna, González-Luis Mª Lourdes , Martin Hurtado Mª Daniela ,   Universidad de La Laguna, González Novoa Andrés ,   Universidad de La Laguna, Perera Méndez Pedro ,   Universidad de La Laguna
Published: December 2023

The objective of this text is to critically analyze the question: what is social innovation from a gender perspective?, with emphasis, above all, on the purpose of innovation. The concrete answer to the question would be: it is the one that responds to the challenges and needs of citizens. Today’s questions must focus on the why, how, with whom and what of public innovation. Innovation represents an ecosystem of interactions and its mediation and purpose must be none other than the improvement and dignification of the lives of the groups to whom it is addressed. For this reason, the contrast of ideas and foundations is proposed as a methodological narrative that connects actors/actresses and diverse scenarios and invites action. The result? To insist that public innovation is either social or it is not; and it is linked to the gender perspective, or it is neither innovation, nor social, ... nor public.
Pedagogía feminista en las humanidades en salud: una aproximación al cuerpo de la mujer a través de la literatura y el cine
Authors:   University of Pittsburgh, Paola Calahorrano Sandy
Published: December 2023

This article presents a university course that intersects humanities and women’s health in order to encourage students to develop a critical attitude towards the mistreatment of women’s bodies by the medical institution and the patriarchal establishment. To this end, the pathologization of the female body and its counter-discourse in literary texts and films relevant to the Latin American feminist movement are explored. The course uses the tools of feminist pedagogy based on dialogue and action for social change; it also includes literary and film materials, such as the poem “Menstruation” by the Nicaraguan Gioconda Belli, with which it aims to inspire the actors in the class, beyond developing an academic analysis, to talk about their own experiences around this bodily processes. The aim is to translate these reflections into action in order to establish links with vulnerable communities and feminist activism.
La técnica del psicodrama y la mímesis en los reportajes (1932-1936) de Magda Donato: la cotidianidad como arte escénico
Authors:   Universidad Complutense de Madrid, Viñarás Carolina
Published: December 2023

Magda Donato (1898-1966) belonged to the prominent group of intellectual women of Spanish Silver Age. She was a writer and an actress. And she cultivated several journalistic genres like articles, interviews, theatrical critiques and reports. In the reports that she wrote to Ahora newspaper (1932-1936), Donato portrays with closeness the way of life, mostly women, destitute from society, like the insane, prisoners or panhandlers; but, she also describes other places like fortune-teller´s office or survival´s way of a theatrical itinerant company. Donato was a pioneer in Spain on this type of reports, because the development´s process of these was made introducing herself in the real stages that she investigated. Playing the role she applied the psychodrama and the mimesis skills for getting reliable information. In this article we will analyze some of the reports from a theatrical aspect.
Ponerle cara y cuerpo. La violencia sexual en las negociaciones de paz con las FARC-EP en Colombia (2012-2016) desde una perspectiva comparada
Authors:   Universitat Autònoma de Barcelona, Villellas Ariño María
Published: December 2023

The peace agreement that ended the armed conflict between the Government of Colombia and the FARC-EP armed group in 2016 was the result of a process of negotiations noted for its innovations, including those relating to the inclusion of the gender approach (Herbolzheimer). Among these, the treatment that the peace agreement gives to sexual violence perpetrated during the armed conflict stands out, recognizing the victims of this violation of human rights and denying impunity for its perpetrators. This article aims to analyse the process that led to the inclusion of sexual violence in the Colombian peace process by analysing, from a comparative perspective with other processes, the factors that promoted its inclusion, as well as the obstacles faced by the actors participating in the process and the influence that the existence of the agenda on women, peace and security had in this process.
Venegas, Socorro. Ceniza roja. Ilustraciones de Gabriel Pacheco. Páginas de Espuma, 2022. 104 páginas. ISBN: 978-8483933138
Authors:   Universidad de La Laguna, Rodríguez Martín Bárbara
Published: December 2023

Review
Desafios e potencialidades da assistência em saúde à população em situação de rua
Authors: Corrêa Camila Pimentel , Santos Vanessa dos , Moraes Felipe Kiefer , Bleyer Perla Silveira , Moraes Cladis Loren Kiefer
Published: December 2023

Objetivo: Analisar a assistência em saúde à População em Situação de Rua (PSR). Métodos: Trata-se de um estudo qualitativo, exploratório, de revisão integrativa. A seleção de artigos, entre 2018 a 2022, ocorreu em bases de dados utilizando os descritores: "Assistência de Enfermagem", "População em Situação de Rua" e "Atenção Primária à Saúde", “Políticas Públicas em Saúde. Resultados: Levantou-se sessenta e sete artigos, após análise criteriosa, foram analisados doze artigos, discutidos em três temáticas: A importância da assistência de enfermagem concernente à população em situação de rua, Barreiras de acesso em saúde à população em situação de rua e Dificuldades de cumprimento das políticas públicas na assistência à população em situação de rua. O estigma social da população em situação de rua, atrelado a marginalização, dificulta o acesso aos serviços de saúde, inviabilizando a prestação de serviço de saúde na atenção primária. Considerações finais: Se estabelece um desafio para os trabalhadores da atenção primária a aproximação a essa população, embora meios de intervenção eficazes sejam descritos na literatura. Portanto, a continuidade de estudos que abordem a temática se faz urgente e necessária.
Barriers to timely lung cancer diagnosis and treatment in a Philippine tertiary hospital
Authors: Ericson Chan King Rich , Reuben Bolos Angeles Roland , Viray Chua Alfredo , Garcia Ignacio Jorge , Pasion Benedicto Jubert
Published: December 2023

Objectives

Timeliness of care is crucial to optimize outcomes in lung cancer. In the Philippines, the causes of delays in lung cancer diagnosis and treatment have not yet been explored.

Material and Methods

We reviewed records of patients diagnosed with lung cancer in our institution between September 2017 and August 2019 after biopsy or resection of a pulmonary lesion. Time to specialist consultation, biopsy, cancer diagnosis, and treatment were measured and compared with standards set by the British Thoracic Society.

Results

Eighty patients were included in the analysis. The median time to pulmonology consult and biopsy was 5 and 18 days, respectively. Cancer diagnosis was made within 28 days for 48% of patients. Causes of delay include late pulmonology referral (21%), delayed biopsy (38%), need for repeat biopsy (24%), and performing outright resection (10%).

Out of 25 patients who received systemic treatment, only four were treated within 28 days of their cancer diagnosis. Curative resection was delayed beyond 56 days for two out of four patients.

Conclusion

Each step in the management of lung cancer is a potential cause for delay. This study revealed opportunities for improvement in multiple areas of care that can allow more patients to benefit from treatment.
An evidence-based case of Psoriasis managed with keynote prescribing Apis mellifica – A case report
Authors: Shakdvipiya Yashasvi , Kashyap Yogyata
Published: December 2023

Psoriasis is an autoimmune disorder that is chronic and inflammatory in nature. It is clinically characterised by erythematous, sharply demarcated papules and rounded plaques covered by silvery micaceous scales. Homoeopathic medicines have been found to be useful in such cases. This report highlights a case of psoriasis in a 37-year-old male patient with complaints of psoriatic patches on almost the entire body since 18 years. The patient was treated using keynote prescribing. The remedy prescribed was Apis mellifica 30C, which covered the patient’s symptoms, including burning, redness, sensitivity to heat, and urinary complaints. Photographic records show marked improvement in all skin lesions. This case report suggests that Homoeopathic medicine can help to treat such autoimmune disorders; conventional medicine has a limited success rate in treating such conditions. If the medicine is prescribed based on a few symptoms, but these symptoms match with the keynotes, the prescription will be successful.
Organization of space and time in the story “Makar’s Dream” and the story “Without Language” by V. G. Korolenko
Authors: Ivanova O. I.
Published: December 2023

The relevance of the article is determined by the fact that its topic is in line with the works of Russian researchers of Vladimir Korolenko’s legacy: N. N. Zakirova, S. L. Skopkareva, A. V. Trukhanenko, V. N. Krylov, E. G. Savelyeva, dedicated to the problem of organizing space and time in the writer’s works. The methodological basis for the study was the works of M. M. Bakhtin and Yu. M. Lotman. The purpose of the work was to identify the uniqueness of the chronotope in the story “Makar’s Dream” and the story “Without Language”. It is noted that in the both works the author refers to the chronotope of the road and road meetings. While in “Makar’s Dream” the chronotope of Amga is contrasted with the space and time of the afterlife, in “Without Language” the chronotope of New York is presented in opposition to the chronotope of the heroes’ native Lozishchi. In the both works, one can state the “liminal” state of the hero: Makar’s “fading away,” his “sleep,” and the state of Matvey Lozinsky on the verge of death in a New York park.
Individual stylistic understanding of the native language’s image in the works of Yakut poets
Authors: Kornilova A. A. , Ivanova S. V.
Published: December 2023

In modern conditions, when human society has entered the era of globalization, many processes related to the preservation and development of languages and cultures of peoples are taking on new forms. Globalization has had a negative impact on the social functioning of languages, with native languages being the most affected. The problem of preservation, functionality, development of native languages and national and cultural identity of small peoples has become actualized. The image of the native language is becoming the most important factor in preserving the national identity of young people, since the language not only reflects cultural and national values and traditions, but is also a key element in the transmission of national and cultural information. In this regard, it seems expedient to pay attention to the figurative and aesthetic comprehension of the image of the native language, when it is included in verbal and artistic structures. In the article, based on the material of the poetic works of the Yakut poets A. A. Ivanov – Kunde "Tóróóbút tyl" ("Native language"), I. M. Gogolev – Kyndyl "Tóróóbút tyl" ("Native language"), "Iye tylym" ("My mother's language"), S. P. Danilov "Tóróóbút tyl" ("Native language"), S. P. Danilov "Tóróbút tyl" ("Native language") analyzes the originality of the individual stylistic comprehension of the native language by the authors. The authors emphasize the importance of involving verbal and artistic works to increase the prestige of the native language.
Poetics of the northern space in poems by А. A. Bestuzhev-Marlinsky
Authors: Oshchepkova A. I. , Monastyrev T. S.
Published: December 2023

The relevance of the topic is dictated by the fact that the problem of the northern space in the poems by A. A. Bestuzhev, written during the period of exile in Yakutsk, has almost not been considered. The subject of interest of researchers, both Yakut and Russian, has become the prose works and lyric-epic poems of the writer. Meanwhile, it is the small forms of the Decembrist poet’s lyrics that demonstrate the beginning of the formation of the sacred image of Yakutia in Russian literature. The purpose of the article is to consider the poetics of the northern space in the poems by A. A. Bestuzhev-Marlinsky. The northern locus becomes the spatial point at which the lyrical hero opens up the prospect of mythological otherness. A textual analysis for the purpose of studying the poetics of’ lyrics by A. A. Bestuzhev-Marlinsky allows us to write out a system of images in the author’s artistic picture of the world, which are determined both by the worldview and the worldview of the romantic poet. The poet uses a variety of techniques as tools for creating a system of images: from tropes to the author’s words. The specific combination of the categories of time and space, subordinated to the main motives of the author’s poetic works, is also of considerable importance. This work examines not only how the means of artistic expression convey a picture of the poetic world of the lyrical hero, but also form the attribution of northern spaces. Northern spaces, through the prism of romanticism, represent an ideal situation in which the category of home is most often conveyed through the categories of memories or dreams. It is through the contrast of the topoi of the house and the North that the final picture of the surrounding world is built, within which the lyrical hero finds himself. Also in the poet’s artistic world, one can trace the difference between external (real) and internal (perceptual) space. However, in this case, the space of reality often merges with the pictures of introspection, blurring the boundaries between the external and the internal. Associations that endow the ideal inner world of the lyrical hero with real pictures of nature (the space of the North) perform the function of achieving harmony between the internal and external spaces.
Genre uniqueness of the documentary novel: the case of Kharyskhal's "The Roads of Bygone Years"
Authors: Shishigina V. R.
Published: December 2023

The article deals with the genre features of the documentary novel "By the Roads of Bygone Years" ("Aaspytyt kem aartyktarynan", 2021) written by the Yakut writer V. Е. Vasiliev – Kharyskhal. He is the author of historical dramas, which are staged in the theaters of our republic. The writer has created dramas based on archival documents, which reflect the history of Yakut life in the early twentieth century. His work "By the Roads of Bygone Years" ("Aaspytyt kem aartyktarynan") is a novel by genre. It is also based on archive materials, memoirs and letters, and is truly documentary. At the same time, the work is characterized by a peculiar artistic form, which is expressed in a special lyrical narration of the author himself, as well as in the ways of revealing the image of the protagonist.

The purpose of the research is to study the concept of the documentary novel and to identify its specific features. The article emphasizes that the documentary novel tells about little-known periods and events that are still mysteries. The writer uses personal experiences, including his own impressions and experiences, to create a more emotional connection with the topic and characters. This allows the reader to better understand the author's motivation and special relationship to the story being told.

Thus, the study of the documentary novel and its genre features is of great relevance as it allows us to expand our understanding of art and literature. The documentary novel provides a unique opportunity to combine reality and fiction writing, which allows us to better understand and appreciate history, as well as develop our imagination and emotional perception of texts.
Estabilización de fangos activos en planta de tratamiento mediante la técnica de compostaje Bokashi
Authors: Pincay María Fernanda , Sabando Vélez Eliana , Zambrano Falcones Emelyn
Published: December 2023

Los fangos activos generados por las plantas de tratamiento de aguas residuales contienen altas concentraciones de microorganismos patógenos y materia orgánica, convirtiéndose en un problema ambiental, el objetivo de esta investigación fue la estabilización de fangos mediante la técnica de Bokashi, se realizó un diseño completamente al azar (DCA) con cuatro tratamientos y cuatro réplicas. El T1 compuesto por 35% fango y 65% Bokashi, el T2 tuvo 45% de fango y 55% de Bokashi, el T3 55% de fango y 45% de Bokashi, y el T4 65% de fango y 35% de Bokashi. Los análisis estadísticos ejecutados mostraron que el T3 alcanzó mejores resultados para una estabilización de los fangos, presentando parámetros de valores óptimos de humedad de 46,35%, carbono de 42,73%, nitrógeno 1,55%, el valor de pH 6,4 y la temperatura que una vez estabilizada se mantuvo entre 30-31 ºC presentando potencialidades como alternativas eficiente, para la estabilización de fangos provenientes de plantas de tratamiento de aguas residuales para ser utilizado en el sector agrícola.
Bioorthogonal Aza-Michael Addition to Dehydrated Amino Acids in Antimicrobial Peptides
Authors: Vargiu Michela , Xu Yanli , Kuipers Oscar , Roelfes Gerard
Published: December 2023

We report the efficient and site selective modification of non-canonical dehydroamino acids in ribosomally synthesized and post-transationally modified peptides (RiPPs) by β-amination. The singly modified thiopeptide Thiostrepton showed an up to 35-fold increase in water solubility, and minimum inhibitory concentration (MIC) assays showed that antimicrobial activity was maintained.
Gravity-Driven Separation for Enrichment of Rare Earth Elements Using Lanthanide Binding Peptide-Immobilized Resin
Authors: Sree Hrishitha , swarup gitanjali , gupta sharad , pushpavanam karthik
Published: December 2023

Rare Earth Elements (REEs) constitute indispensable raw materials and are employed in a diverse range of devices, including but not limited to smartphones, electric vehicles, and clean energy technologies. While there is an increase in demand for these elements, there is a global supply challenge due to limited availability and geopolitical factors affecting their procurement. A crucial step in manufacturing these devices involves utilizing highly pure REEs, often obtained through complex and non-sustainable processes. These processes are vital in isolating individual REEs from mixtures containing non-REEs and other REEs. There exists an urgent requirement to explore alternative techniques that enable the selective recovery of REEs through more energy-efficient processes. To overcome the limitations mentioned above, we have developed a microbead-based technology featuring immobilized lanthanide binding peptides (LBPs) for the selective adsorption of REEs. This technology does not require the utilization of external stimuli but uses gravity-based separation processes to separate the bound REE from the unbound REE. We demonstrate this technology's potential by enriching two relevant REEs (Europium and Terbium). Furthermore, despite their similar chemical properties, we present the distinctive binding preference of the LBPs for a specific rare earth element over another. Moreover, these LBPs exhibit no binding affinity towards other frequently encountered industrial ions. Finally, we demonstrate the recovery of REEs through a change in system conditions and assess the reusability of the microbeads for subsequent adsorption cycles. We anticipate that this approach addresses the challenges of REE recovery and demonstrates the potential of biomolecular strategies in advancing sustainable resource management.
Insights into the mechanisms of optical cavity-modified ground-state chemical reactions
Authors: Ke Yaling , Richardson Jeremy
Published: December 2023

In this work, we systematically investigate the mechanisms underlying the photon frequency-dependent rate modification of ground-state chemical reactions in an optical cavity, as well as the effects of the collective coupling of two molecules to the same cavity photon mode. Our analysis is grounded in a symmetric double-well description of the molecular potential energy surface. To obtain reaction dynamics, we employ a numerically exact open quantum system approach, namely, the hierarchical equations of motion in twin space with a matrix product state solver. Our results reveal that the reaction rate can be modified when the cavity frequency closely matches the transition energy between a pair of vibrational eigenstates. This modification arises due to the opening of a cavity-induced intra-molecular cotunneling pathway, and the extent of rate modification is determined jointly by several kinetic factors. For an anharmonic molecular system with multiple vibrational transition energies, we predict the possibility of observing multiple peaks in the photon frequency-dependent rate profile. Increasing the light-matter coupling strength not only enhances the intensity and the width of the peaks in the rate profile but may also lead to the fusion of two nearby peaks. Furthermore, we find that when two identical molecules are simultaneously coupled to the same resonant cavity mode, an intermolecular reaction channel is activated, contributing to a further alternation in the reaction rate. It is worth emphasizing that, the rate modification due to these intramolecular and intermolecular cavity-promoted reaction pathways remains unaffected regardless of whether the molecular transition dipoles are aligned in the same or opposite direction as the light polarization. This suggests that the cavity-induced rate modification can persist in an isotropically disordered system, differing inherently from the influence of direct intermolecular dipolar interaction, which shows an opposite rate modification tendency in these two dipole orientations.
Unraveling the Molecular Basis of Substrate Specificity and Halogen Activation in Vanadium-Dependent Haloperoxidases
Authors: Gulder Tanja , Zeides Pierre , Bellmann-Sickert Kathrin , Zhang Ru , Seel Catharina , Most Viktoria , Schoeder Clara , Groll Michael
Published: December 2023

Vanadium-dependent haloperoxidases (VHPOs) are biotechnologically valuable and operationally versatile biocatalysts that do not require complex electron shuttling systems. These enzymes share remarkable active-site structural similarities yet display broadly variable reactivity and selectivity. The factors dictating substrate and halogen specificity and, thus, a general understanding of VHPO reaction control still need to be discovered. This work's strategic single-point mutation in the cyanobacterial bromoperoxidase AmVHPO facilitates a selectivity switch to allow aryl chlorination. This mutation induces loop formation absent in the wild-type enzyme, and that interacts with the neighboring protein monomer, creating a tunnel to the active sites. Structural analysis of the substrate-R425S-mutant complex reveals a substrate-binding site at the interface of two adjacent units. There, residues Glu139 and Phe401 interact with arenes, extending the substrate residence time close to the vanadate cofactor and stabilizing intermediates. Our findings validate the long-debated existence of direct substrate binding and provide detailed VHPO mechanistic understanding. This work will thus pave the way for a broader application of VHPOs in diverse chemical processes.
Enabling Uniform and Accurate Control of Cycling Pressure for All-Solid-State Batteries
Authors: Chen Yu-Ting , Jang Jihyun , Oh Jin An Sam , Ham So-Yeon , Yang Hedi , Lee Dong-Ju , Vicencio Marta , Lee Jeong Beom , Tan Darren H. S. , Chouchane Mehdi , Cronk Ashley , Song Min-Sang , Yin Yijie , Qian Jianting , Chen Zheng , Meng Ying Shirley
Published: December 2023

All-solid-state batteries are emerging as potential successors in energy storage technologies due to their increased safety, stemming from replacing organic liquid electrolytes in conventional Li-ion batteries with less flammable solid-state electrolytes. However, All-solid-state batteries require precise control over cycling pressure to maintain effective interfacial contacts between materials. Traditional uniaxial cell holders, often used in battery research, face challenges in accommodating electrode volume changes, providing uniform pressure distribution, and maintaining consistent pressure over time. This study introduces isostatic pouch cell holders utilizing air as pressurizing media to achieve uniform and accurately regulated cycling pressure. LiNi0.8Co0.1Mn0.1O2 | Li6PS5Cl | Si pouch cells were fabricated and tested under 1 to 5 MPa pressures, revealing improved electrochemical performance with higher cycling pressures, with 2 MPa as the minimum for optimal operation. A bilayer pouch cell with a theoretical capacity of 100 mAh, cycled with an isostatic pouch cell holder, demonstrated a first-cycle Coulombic efficiency of 76.9% and a discharge capacity of 173.6 mAh g-1 (88.1 mAh), maintaining 83.6% capacity after 100 cycles. These findings underscore the effectiveness of isostatic pouch cell holders in enhancing the performance and practical application of All-solid-state batteries.
Pulse Dipolar Electron Paramagnetic Resonance Spectroscopy Distance Measurements at Low Nanomolar Concentrations: the Copper(II)-Trityl Case
Authors: Ackermann Katrin , Heubach Caspar , Schiemann Olav , Bode Bela
Published: December 2023

Recent sensitivity enhancements in pulse dipolar EPR spectroscopy (PDS) have afforded distance measurements at submicromolar spin concentrations. This development opens the path for new science, as more biomolecular systems can be investigated at their respective physiological concentrations. Here, we demonstrate that the combination of orthogonal spin labelling using copper(II) ions and trityl yields a more than 3-fold sensitivity increase compared to the established copper(II)-nitroxide labelling strategy. Application of the recently developed variable-time RIDME method yields a further approximately 2.5-fold increase compared to the commonly used constant-time RIDME. This overall increase in sensitivity of almost an order of magnitude makes distance measurements in the range of 3 nm with protein concentrations as low as 10 nM feasible, more than two times lower than previously reported. We expect that experiments at single digit nanomolar concentrations are imminent, which has the potential to transform biological PDS applications.
Stable ditriflates of D-glucose in the synthesis of iminosugars and polyhydroxyolated pipecolic acids
Authors: Rosalino Balo , Andres Fernandez , David Reza , Pablo Lopez , George Fleet , Ramon J. Estévez , Juan C. Estevez
Published: December 2023

A synthesis of the five membered iminosugar DAB and a divergent synthesis of the six membered iminosugar 1-dehydromannojirimycin (DMJ) and the corresponding sugar iminoacid are reported. They involve double nucleophilic displacements of a D-xylose ditriflate by benzyl carbazate and a D-glucose ditriflate by allyl amine, respectively. They are followed by a similar protocol consisting of hydrolysis and oxidation or reduction of the resulting bicyclic glycosides. This allowed DMJ to be obtained from the cheap sugar D-glucose.
Generalized kekulenes and clarenes as novel families of cycloarenes: structures, stability, and spectroscopic properties
Authors: Du Ke , Wang Yang
Published: December 2023

Cycloarenes constitute a captivating class of polycyclic aromatic hydrocarbons with unique structures and properties, but their synthesis represents a challenging task in organic chemistry. Kekulene and edge-extended kekulenes as a classic type of cycloarene play an important role in the comprehension of π electron distribution, but the sparse molecular diversity considerably limits their further development and application. In this work, we propose two novel classes of cycloarenes, the generalized kekulenes and the clarenes. Using density functional theory, we carry out a comprehensive study of all possible isomers of the generalized kekulenes and clarenes with different sizes. By applying a simple Hückel model, we show that π delocalization plays a crucial role in determining the relative stability of isomers. We also discover that π-π stacking is commonly present in certain larger clarenes and provides a considerable additional stabilization effect, making the corresponding isomers the lowest-energy ones. Among all considered typical looped polyarenes, generalized kekulenes and/or clarenes are revealed to be the energetically most stable forms, suggesting that these novel cycloarenes proposed here would be viable targets for future synthetic work. The simulated 1H NMR spectra and UV-vis absorption spectra provide valuable information about the electronic and optoelectronic properties for the most stable generalized kekulene and clarene species and may support their identification in future synthesis and experimental characterization.
Betaketothioesters in Organocatalysis: Harnessing Nucleophilic Reactivity, the Fluorophobic Effect, and Expanding the Substrate Repertoire
Authors: Dajek Maciej , Kubiak Paulina , Bąkowicz Julia , Dziuk Błażej , Kowalczyk Rafał
Published: December 2023

The use of thioesters as nucleophiles marks a considerable change in organic synthesis. This new method, propelled by gentle enolization with minimal catalyst loading, results in enantiomeric excesses surpassing 95% under ambient conditions, accomplishing total conversion in merely 6 hours. Remarkably, this method eliminates the need for additional functional groups in nitroalkenes for efficient chirality transfer from the organocatalyst. The exceptional reactivity of thioesters, combined with their water tolerance, enables reactions utilizing the hydrophobic effect, resulting in reaction times as short as 15 minutes and products with slightly enhanced stereoselectivity compared to analogous reactions in dichloromethane. Additionally, reactions performed in perfluorinated solvents outpace their homogenous counterparts in organic solvents, delivering products in shorter time with comparable stereoselectivity. This work highlights the rare utilization of the fluorous effect in organocatalysis. Simple squaramides also exhibit remarkable catalytic activity in the reactions of beta-keto thioesters with alpha-bromo nitroalkenes. As little as 0.1 mol% of the catalyst leads to product formation with an 86% yield (qNMR) and 93% enantiomeric excess. Upscaling the reaction does not significantly affect the enantiomeric excess but leads to a slight decrease in yield from 82% to 77%. It has been demonstrated that thioesters react more rapidly than their ketoester counterparts, and the two-step reaction leading to dihydrofuran ring closure is entirely accomplished by extending the reaction time, eliminating the need for additional base. The examples presented here expand the range of substrates derived from carboxylic acid esters in catalytic reactions, suggesting the potential for the synthesis of challenging reactions in analogues of alkoxyl esters.
Ratiometric imaging of catecholamine neurotransmitters with nanosensors
Authors: Ma Chen , Mohr Jennifer M. , Lauer German , Metternich Justus T. , Neutsch Krisztian , Ziebarth Tim , Reiner Andreas , Kruss Sebastian
Published: December 2023

Neurotransmitters are important signaling molecules in the brain and relevant in many diseases. Measuring them with high spatial and temporal resolution in biological systems is challenging. Here, we develop a ratiometric fluorescent sensor/probe for catecholamine neurotransmitters based on near-infrared (NIR) semiconducting single wall carbon nanotubes (SWCNTs). Phenylboronic acid (PBA)-based quantum defects are incorporated into them to interact selectively with catechol moieties. These PBA-SWCNTs are further modified with polyethylene glycol phospholipids (PEG-PL) for biocompatibility. Catecholamines including dopamine do not affect the intrinsic E11 fluorescence (990 nm) of these (PEG-PL-PBA-SWCNT) sensors. In contrast, the defect-related E11* emission (1130 nm) decreases by up to 35%. Furthermore, this dual-functionalization allows tuning selectivity by changing the charge of the PEG-polymer. These sensors are not taken up by cells, which is beneficial for extracellular imaging and they are functional in brain slices. In summary, we use dual-functionalization of SWCNTs to create a ratiometric biosensor for dopamine.
Synthesis, Structure & Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity
Authors: Hawkins Cara J. , Newnham Jon A. , Almoussawi Batoul , Gulay Nataliya L. , Goodwin Samuel L. , Zanella Marco , Manning Troy D. , Daniels Luke M. , Dyer Matthew S. , Veal Tim D. , Claridge John B. , Rosseinsky Matthew J.
Published: December 2023

Mixed anion halide-chalcogenide materials have recently attracted attention for a variety of applications owing to their desirable optoelectronic properties. We report the synthesis of a previously unreported mixed-metal chalcohalide material, CuBiSeCl2 (Pnma), accessed through a simple, low temperature solid state route. The physical structure is characterized through Single Crystal X-Ray Diffraction and reveals significant Cu displacement within the CuSe2Cl4 octahedra. The electronic structure of CuBiSeCl2 is investigated computationally, which indicates highly anisotropic charge carrier effective masses, and by experimental verification using X-Ray Photoelectron Spectroscopy (XPS), which reveals a valence band dominated by Cu orbitals. The band gap is measured to be 1.40(3) eV, a suitable value for solar absorption applications. The electronic and thermal properties, including resistivity, Seebeck coefficient, thermal conductivity and heat capacity, are also measured and it is found that CuBiSeCl2 exhibits a low room temperature thermal conductivity of 0.26 (3) W K-1 m-1.
Liquid-Liquid Transition in a Machine-Learned Coarse grained Water Model
Authors: Dhabal Debdas , Kumar Rajat , Molinero Valeria
Published: December 2023

Mounting experimental evidence supports the existence of a liquid-liquid transition (LLT) in high-pressure supercooled water. However, fast crystallization of supercooled water impedes the identification of the LLT line TLL(p) in experiments. While the most accurate all-atom (AA) water models display a LLT, their computational cost limits investigations of its interplay with ice formation. Coarse-grained (CG) models provide over 100-fold computational efficiency gain over AA models, enabling the study of water crystallization, but have not yet shown to have a LLT. Here we demonstrate that the CG machine-learned water model ML-BOP has a LLT that ends in a criti-cal point at pc = 170±10 MPa and Tc = 181±3 K. The TLL(p) of ML-BOP is almost identical to the one of TIP4P/2005, adding to the similarity in the equation of state of liquid water in both models. The simulations reveal that TLL(p) coincides with the line of maximum crystallization rate Tx(p) of supercooled ML-BOP, supporting a mechanistic relationship between the structural transformation in liquid water and the formation of ice.
Potential Volcanic Origin of the 2023 Short-period Tsunami in the Izu Islands, Japan
Authors: Mizutani Ayumu , Melgar Diego
Published: December 2023

On October 8, 2023, at 21:40 UTC (6:40 on October 9 local time), a tsunami warning was issued for the Izu Islands and southwest Japan. This tsunami was initially considered to be associated with the Mw 4.7 earthquake at 20:25 UTC (5:25 JST). However, we know events of this magnitude are far too small to generate observed tsunamis from coseismic deformation alone. In this study, we analyzed the ocean-bottom pressure records of DONET and S-net, real-time cabled observation networks on the Pacific coast of Japan. We find that the dominant period of this tsunami was relatively short, 250 sec, and that the largest tsunami occurred at 21:13 (6:13 JST) near Sofu-gan volcano. In addition, T waves, or the ocean-acoustic waves, were clearly observed by DONET – we posit these correspond to a vigorous swarm-like seismic event at the same region of the tsunami source. We formally invert for the tsunami source and find that several tsunami sources with an interval of about 4 min are necessary to reproduce the observed records. These most likely correspond to volcanic eruptions.
A Review on Health Promotion and Disease Prevention in Children and Adults
Authors: Yamini Muli , Naveena Bachu , Chandra Yadala Prapurna
Published: December 2023

The risk of developing chronic diseases and other morbidities is decreased by health promotion and disease prevention. Systemic meta-analysis was used to produce review articles that were published between 2019 and 2023. The study's goal is to review the literature on illness prevention and health promotion for both adults and children. The data regarding disease prevention in children in 2019 (Diabetes Mellitus), 2020 (Obesity, Disability), 2021 In 2019, the focus was on physical activity and emotion management; in 2020, it was on reducing salt, smoking, alcohol, and increasing physical activity; in 2021, it was on reducing salt, smoking, alcohol, and increasing physical activity; in 2022, it was on positive wellbeing, resilience among individuals, and positive mental health; and in 2023, it was on lifestyle behaviours and COVID-19 preventive behaviours. In summary, this review article concludes that promoting health to both adults and children can help prevent disease by providing information on both acute and chronic conditions, which can reduce risk and prevent the disease state from worsening.
DOMİNANT DOKUZLU AKORLARIN KULLANIMININ FARKLI DÖNEM PİYANO ESERLERİ ÜZERİNDE İNCELENMESİ
Authors: ÖZELMA Yaşar
Published: December 2023

ÖZ: Dokuzlu akorlar, genişletilmiş akorlar grubundadır. Tonal sistem çağında, daha çok dizinin V. derecesi üzerinde kurulan dominant dokuzlu akorlar kullanılmaktadır. Majör ve minör tonalitelerde başkalık gösteren bu uyumsuz akorların eserlerdeki kullanımları, müzik tarihi içerisinde çoğunlukla dönemin gereksinimlerine dayanan farklılıklar göstermektedir. İlgili evriliş, çoksesli bir çalgı olan piyano için yazılmış eserler üzerinde kolayca gözlemlenmesi bakımından daha çarpıcıdır. Bu çalışmada dominant dokuzlu akorların; kuruluşları, çevrim durumları, 9’lu seslerinin alterasyonları, çözülüşleri ve köksüz kullanımları öncelikle teorik açıdan ele alınmış; daha sonra mevcut kullanımları barok, klasik, romantik ve çağdaş dönem piyano eserlerinden örnekler üzerinde incelenmiştir. Dominant akorunun üzerindeki 9’lu sesin; tonal sistem çağında başlarda daha çok akora yabancı bir ses olarak değerlendirildiği ve akor değişiminden önce çözüldüğü, daha sonraları akora dahil bir ses olarak kullanıldığı ve akor değişimi esnasında mevcutsa çözüldüğü, çağdaş dönemde ise bir akor sesi olarak kullanılmaya devam ettiği; fakat çözülme eğiliminin azaldığı görülmüştür. İlgili Türkçe literatürde, diyatonik ve altere dokuzlu akorların kullanımlarının incelenmesi bağlamında eksiklikler bulunmaktadır. Klasik armoni öğretisinin bazen dışına çıkan bu gibi konulara, armoni kitaplarının içeriklerinde daha çok önem verilmesi tavsiye edilmektedir.
SARS-CoV-2 Antibody Responses in Newly Recovered Patients from Covid-19 Infection
Authors: A Lateef, Imad , K Attallah , Younus , G Khalil , Khalil , A  Ahmad Arshed
Published: December 2023

Background: The coronavirus disease 2019 pandemic continues, causing considerable morbidity and mortality worldwide. Real-time reverse transcription polymerase chain reaction (RT-PCR) diagnostic assays are a goal standard for case ascertainment and diagnosis. Comparing to PCR, serological testing is advantageous with faster turn-around time, high-throughput and less workload. However, the clinical value of antibodies largely depends on the understanding of host antibody responses during infection.
Immunoglobulin G (IgG)) in response to SARS-CoV-2 in patients newly recovered from different severity Covid-19 infection in Baquba-Iraq.
Patients and Methods: In this cross sectional study a (93) patients with recent covid-19 infection who came to the central blood bank of Diyala for convalescent plasma donation for the period from the 1st June 2020 till 1st August 2020 were enrolled. The questionnaire form were filled regarding the time of infection, clinical manifestations, severity and polymerase chain reaction (PCR) results. While blood were taken for antibody titer measurement using the SARS-CoV-2 IgM and IgG VIDAS test.
Results: Male constitute about 91% of the study population. About 74% of the cases were below 40 years old. Fifty four of the patients had mild disease, 28% had moderate severity while the other 18% had severe type of the disease. fatigue and fever were the most common symptoms and seen in 87%,84% respectively. IgM Antibodies start to be positive before 21 days post infection mainly in mild and moderate cases 100%, While 0% of severe cases were positive at this time. After 49 day from the time of the infection 67%and 75% of the mild and moderate cases where IgM positive respectively and 100% of the severe cases where IgM positive.   IgG Antibodies were positive in 100%, 0% of the mild and severe cases respectively at 21 day post infection but it's positive in 100% of both mild and severe cases after 49 day post infection.
Conclusion: : Although the serological response for SARS-CoV-2 appears in the first three weeks from the disease onset this response differs from  patient to another according to the time from the infection and the severity of the infection.