bluuebunny/crossref_metadata_2025 huggingface dataset:
Incidencia de eventos adversos perioperatorios y factores asociados a su severidad
Authors: Hugo Arias José , Segura C. Angela María , Cano V. Mariana
Published: August 2023

Introducción: Los eventos adversos (EA) son indicador importante para la seguridad del paciente. El escenario perioperatorio es susceptible de presentación de eventos con características propias. Objetivo: Estimar la incidencia de eventos adversos perioperatorios en 5 hospitales de alta complejidad en la ciudad de Medellín-Colombia, caracterizar dichos eventos y explorar factores individuales y del procedimiento asociados a su severidad. Métodos: Estudio de cohorte retrospectivo. Se revisaron 3.944 registros perioperatorios (desde admisión hasta salida de recuperación posanestésica-URPA) electivos y de urgencias en 5 hospitales de alto nivel de complejidad de la ciudad de Medellín. Se detectaron los EA utilizando un tamizaje (Surgical Trigger Tool) y un formulario modular para análisis en extenso. Se valoró la evitabilidad y la severidad de los eventos. Se exploró la asociación de variables clínicas y del procedimiento con la severidad. Resultados: La incidencia acumulada de EA fue de 4,31 eventos por 100 procedimientos IC 95% [3,68 – 4,94]. La mayoría de los eventos ocurrieron en la jornada de la mañana (62,42%), en cirugía programada (66,67%)y en salas de cirugía (80,39). El 54,25% de los eventos se consideraron evitables. La jornada nocturna, la ocurrencia en sala de recuperación y la edad mayor a 60 años, se asociaron a la severidad del evento. Conclusiones: Los EA perioperatorios continúan tendiendo una frecuencia relevante que tiene implicaciones en la seguridad del paciente. El alto porcentaje de eventos evitables resalta la importancia de desarrollar y consolidar la atención segura en el ámbito quirúrgico.
Espondilodiscitis infecciosa Caso clínico
Authors: Mora-Aznar María , Moreno-Hijazo Miguel
Published: August 2023

Objetivos: Análisis de un caso de espondilodiscitis infecciosa con retraso en su diagnóstico que deriva en un shock distributivo de difícil manejo. Estudio de los diagnósticos diferenciales y revisión bibliográfica. Material y Métodos: Presentación de un caso clínico sobre la espondilodiscitis infecciosa de una paciente que precisó ingreso en la Unidad del Paciente Crítico de un Hospital de Segundo Nivel en España. Para ello, se obtuvo consentimiento expreso por parte del paciente, así como del Comité de Ética de nuestro Centro. Resultados: Revisión de la historia clínica y actual de una mujer de avanzada edad que acude a nuestro centro hospitalario por lumbalgia sin etiología filiada, evolución rápida y tórpida hacia un cuadro de shock distributivo, que plantea distintos diagnósticos diferenciales, encontrando finalmente el diagnóstico acertado mediante pruebas complementarias específicas, pudiendo instaurar un tratamiento orientado, inicialmente conservador y después quirúrgico con correcta evolución posterior. Conclusiones: La espondilodiscitis infecciosa es una entidad infecciosa cuya incidencia ha aumentado en los últimos años debido a una mayor esperanza de vida de pacientes con enfermedades crónicas que suponen condiciones para cierto grado de inmunodeficiencia. Se han descrito casos con espondilodiscitis en los que se debe evaluar la coexistencia de endocarditis infecciosa, como es el caso que hemos planteado, así como valorar la indicación de intervención quirúrgica en casos sin respuesta a terapia antimicrobiana como es la paciente que nos ocupa.
Paciente embarazada con meduloblastoma. Reporte de un caso
Authors: Decap S. Cristhofer , Marchant K. Joel , Maltes P. Mariana , Figueroa R. Héctor , Villarroel R. Pablo , Miccono I. María Rosa
Published: August 2023

La prevalencia de tumores primarios del sistema nervioso central es relativamente baja, representando solo 2% del total de tumores malignos en el adulto[1]. El meduloblastoma es uno de los tumores más frecuentes en la edad pediátrica, su aparición en adultos es baja, siendo en la embarazada un hallazgo extremadamente raro[2]. El diagnóstico, tratamiento y seguimiento en este tipo de pacientes requiere una visión multidisciplinaria, con consideraciones tales como, el bienestar materno-fetal y los cambios fisiológicos en el embarazo. Muchas de las indicaciones y referencias para el manejo de pacientes adultos con meduloblastoma han sido extrapoladas de la experiencia de poblaciones pediátricas.
Aspectos de Vulnerabilidade às IST em Homens e Mulheres de 4 Comunidades remanescentes de quilombos do Maranhão, Brasil
Authors: Costa Daniel Aser Veloso , Monteiro Silvio Gomes
Published: August 2023

Objetivo: Identificar a vulnerabilidade às infecções sexualmente transmissíveis (IST) em 4 comunidades remanescentes de quilombos (CRQ) existentes no estado do Maranhão, Brasil. Métodos: De setembro de 2018 a janeiro de 2019, realizou-se a coleta de dados em 4 CRQ, Soledade, São Miguel, Juçatuba e Nova Peptal.  O instrumento utilizado foi entrevista composta por questionário estruturado e realizou-se testes rápidos para o vírus da imunodeficiência adquirida (HIV), sífilis, hepatites B e C em 259 indivíduos. Resultados: Acerca do conhecimento, 80% dos entrevistados já ouviu falar, 39,8 % disseram existir um alto risco para contaminação e 23,2% relatou não existir risco nenhum. 56,8 % dos entrevistados alegou ter iniciado sua vida sexual antes dos 17 anos. 42,8% disseram ter entre 1 a 2 parceiros e >3 parceiros em 57,2%. A média de n° de parceiros é apresentada em 3,0 para as mulheres quilombolas e 14,6 para os homens. Para o uso do preservativo, 49,2% de entrevistados alegaram utilizer. Os resultados dos testes rápidos identificaram a presença de IST em 9,7% da amostragem total, considerando homens e mulheres. Conclusão: A estimativa das IST é um dado de importância para a comunidade científica e autoridades da saúde pública em relação ao acesso e ações que promovam a prevenção, promoção e recuperação da saúde da população quilombola.
Os benefícios do uso do enxerto da Membrana Amniótica Humana no âmbito de feridas cirúrgicas, ferimentos e lesões
Authors: Gonçalves Nicolas Cardoso , Ribeiro David Pinto , Gouvea Hilda Cristina Rodrigues , Pedroso Katia Zeny Assumpção , Silva Nilson Thiago de Carvalho e , Sant'Anna Luciana Barros
Published: August 2023

Objetivo: Realizar uma busca na literatura a respeito dos benefícios associados ao uso do enxerto da membrana amniótica humana (MAH), no âmbito ambulatorial e cirúrgico. Métodos: Trata-se de uma revisão integrativa cuja as bases de pesquisas foram: SciELO, PubMed, Biblioteca Virtual em Saúde e Capes. Foram utilizados estudos in vivo entre 2018-2023. Resultados: Após aplicação dos critérios de inclusão e exclusão, foram identificados 23 artigos. A membrana amniótica humana obteve resultados satisfatórios no tratamento de lesões cirúrgicas, queimaduras, úlceras, lesões na córnea, feridas agudas e crônicas, lesões em nervos, tendões, cartilagem e entre outras. Os estudos relataram que a MAH possui analgesia, ação anti-inflamatória e antimicrobiana, promove a epitelização e a cicatrização, reduz a fibrose, a substituição de curativos e o desconforto em realizar atividades e possui biocompatibilidade. Considerações finais: Dessa forma, esse estudo conseguiu investigar os diversos benefícios relativos ao transplante de MAH para o tratamento de lesões e ferimentos. O uso da MAH é uma possibilidade promissora no âmbito ambulatorial e cirúrgico, tendo em vista que possuem diversos benefícios para a cicatrização e epitelização de uma lesão.
Leveraging Quality Measurement to Drive Equitable Cancer Care for Transgender Individuals
Authors: Donckels Elizabeth , Regenold Nina , Schmidt Theresa , Nolan Will , Scout Scout , Dizon Don , Valuck Tom
Published: August 2023

Transgender and gender-diverse populations face multiple cancer care inequities and disparities across the cancer care journey, such as delayed cancer diagnosis, denial of care, and worse clinical outcomes. Efforts to reduce inequities across the cancer care continuum generally must identify and address the specific care needs of transgender individuals. Quality measurement plays a key role in identifying gaps in care and monitoring progress toward high-quality, equitable cancer care and outcomes. This manu­script explores several measurement tactics to drive care quality improvement for transgender individuals: updating quality measures and clinical guidelines to be inclusive of transgender people, stratifying existing quality measures by gender identity to identify disparities, and developing new quality measures to address the specific care needs and outcome inequities experienced by trans­gender patients.
https://www.hmpgloballearningnetwork.com/site/jcp/feature-story/oncology-pathways-drive-adoption-high-quality-treatment-regimens-and-deliver
Authors: Christensen Kathryn , Dollear Timothy , Al Ghannam Ramma , Gratias Eric , Ortiz Robinson , Hamilton Stephen
Published: August 2023

In an environment of rapid innovation and sharply rising costs, on­cology clinical pathways are a solution that can help bridge knowledge gaps for providers and ensure patients get quality, affordable cancer care. Cigna and evi­Core Healthcare developed an Oncology Value-based Pathways (VP) program by incorporating several value frameworks and considering the perspectives of multiple stakeholders, including patients, providers, and payers. Starting Janu­ary 1, 2021, the VP program was implemented for a large commercial population, spanning 51 clinical pathways and covering 50% of cancers. Over an 18-month period, the VP program increased the on-pathway regimen rate by 5.2%, leading to a cost savings of $24 million or $0.13 per member per month in a commercial managed population. Direct peer-to-peer conversations with providers who or­dered off-pathway regimens led to updated requests for on-pathway regimens in 18.3% of cases. Additionally, 28.3% of total cases were moved to on-pathway regimens, regardless of whether there was a peer-to-peer discussion with the provider, indicating the VP program’s durable educational impact.
Letters of D.V. Ulyaninsky to P.P. Shibanov as a Source on the History of Bibliophilia and Bibliography
Authors: Naumov Oleg N.
Published: August 2023

On the basis of epistolary sources from 1895—1913 from the Department of Manuscripts of the Russian State Library and the Russian State Archive of Literature and Art, the history of the relationships between D.V. Ulyaninsky and P.P. Shibanov is reconstructed. The letters contain information about the sources and principles of the formation of D.V. Ulyaninsky’s library, his bibliographic studies, prices for antique books, personal relations, as well as about the lifestyle and communication style of the bibliophile, who avoided ritual visits on the occasion of holidays and took care of replenishing his book collection constantly, even on vacation and during illness. The sources demonstrate exactly which defects D.V. Ulyaninsky considered unacceptable for the books of his collection. The article shows the source aspects of his scientific work: determining the authenticity of book monuments, establishing their authorship and the history of the text. The unapproved coat of arms of the Ulyaninskys, which the bibliophile used on his seal in 1902, is first described. It is concluded that the letters of D.V. Ulyaninsky to P.P. Shibanov have a significant cognitive potential for studying the history of bibliophilia, bibliography, trade in antique books and intellectual life of Russian at the turn of the 19th–20th centuries.
Features of the Transformation of the Regional University Library in Contemporary Conditions
Authors: Klimova Olga V.
Published: August 2023

The article reveals the peculiarities of the transformation of modern university libraries in connection with the ongoing changes in the sphere of higher education. The main difficulties in the implementation of integration into the electronic space are named (including such as limitations of the literature used in the university by year of publication, low attendance, a decrease in the level of information processing, an increase in the library funds the proportion of low-quality editions, the formalization of scientific knowledge, the lack of digital culture among users). This research is fulfilled on the basis of scientific articles and publications of the last years. The author emphasizes the necessity to support the idea of continuing education in the frames of the transformation of the university library as a multi-resource center for preparing materials for scientific researches and ensuring the educational process.
К вопросу о времени первых публикаций клавесинных трактатов де Сен Ламбера
Authors: Panov A.A. , Rosanoff I.V.
Published: August 2023

In the newly revealed complete Dictionnaire des termes published in 1701 by Sébastien de Brossard there is a list of more than 60 “Auteurs qui ont écrit en François”, whose works he has personally “seen, read, and examined”. De Saint Lambert is named among them. This definitely proves that one of de Saint Lambert’s works had been published before 1701. This recently unveiled evidence and the diachronic examination of practically all possibly available historic and contemporary sources, showed that in some points the current view should be changed. In harpsichord teaching and performance, in thorough-bass accompaniment the treatises of de Saint Lambert, F. Couperin and J.-P. Rameau are the basic instruction editions. Only de Saint Lambert and his two treatises bring forth many bio-bibliographic questions, i.e. Les principes du clavecin (the dates of publication have been proved to be 1697 and 1702), Nouveau traité de l’accompagnement is Paris 1707; and the publication of the Traité de l’accompagnement (1680) is under question whether it was a “myth” or it indeed existed according to the historical evidence.

В заключительном разделе введенного недавно в научный оборот полного издания музыкального словаря Себастьяна де Броссара 1701 года содержится список из 60 «авторов, которые писали на французском языке» и труды которых де Броссар лично «смотрел, читал и анализировал». В числе этих авторов упоминается де Сен Ламбер — музыкант эпохи барокко, теоретические труды которого, наряду с трактатами Ф. Куперена и Ж. Ф. Рамо, содержат важнейшие сведения о французском клавесинном искусстве эпохи. Отсюда следует, что один, либо оба клавесинных трактата де Сен Ламбера были опубликованы ранее 1701 года. Данное свидетельство, а также результаты исследования в диахронической последовательности прямых и косвенных указаний из исторических источников убеждают в том, что (1) хорошо известное издание знаменитого трактата де Сен Ламбера «Основы клавесина» 1702 года не является первым, первое же издание было выполнено в 1697 году; (2) тогда как трактат по аккомпанементу, известный по изданию 1707 года, впервые увидел свет в 1680 году, и последнее обстоятельство вовсе не является «мифом» музыкальных библиографов XIX века, как ранее было принято считать в науке.
With What and on What Can Musician Write in the Digital Age: Analysis of Modern Mobile Devices
Authors: Карасева М.В.
Published: August 2023

В статье впервые рассматриваются учебно-методические вопросы работы музыкантов-исполнителей и теоретиков с мобильными устройствами последнего поколения в аспекте возможностей их использования для нотной записи, чтения нотных образцов и решения иных профильных задач. Подробно анализируются особенности цифровых планшетов, электронных книг, стилусов и специальных нотных приложений для мобильных устройств. Предлагаются удобные и эффективные способы применения таких устройств в классе (при онлайн-, офлайн- и гибридной формах занятий) и при домашней/подготовительной работе музыкантов — педагогов и учеников.

This article for the first time considers educational and methodological issues of the work of musicians-performers and theorists with the latest generation of mobile devices in terms of their capabilities for hand writing-notation, reading musical samples and specialized work with them. The features of digital tablets, e-books, styluses, as well as special music applications are analyzed in detail. Convenient and effective ways of using them in the classroom (in online, offline and hybrid forms) and home / preparatory work of musicians-teachers and students are proposed.
A. A. Nikolaev. My Uncle Hugo Titz Preparation of the text, introductory article, and commentaries by A. A. Salm
Authors: Сальм А.А.
Published: August 2023

Записки А. А. Николаева посвящены известному певцу и педагогу, профессору Московской консерватории, одному из представителей творческой династии Николаевых и Тиц. Проведя многие годы рядом с Гуго Тицем, автор запечатлел его в своей памяти не только как замечательного исполнителя, но и как близкого родственника, друга и наставника. Записки начинаются с краткой истории переселения общих предков из Германии в Россию во второй половине XVIII века; среди занятий и увлечений этих людей музыка и музицирование занимали весьма заметное место. Музыкально одаренным был отец Г. И. Тица и дед А. А. Николаева по материнской линии — Ионатан Павлович. Он серьезно увлекался пением, брал уроки вокала в Москве у А. И. Книппер и, несомненно, передал сыну свой певческий дар. Николаев рассказывает о преподавании Г. И. Тица в Московской консерватории (их классы находились по соседству), участии дяди в спектаклях консерваторской Оперной студии, делится впечатлениями от исполнения им оперных партий и от ежегодных камерных концертов. Личностные качества Г. И. Тица раскрываются, в частности, в эпизодах, повествующих о совместном времяпрепровождении на отдыхе и поездках в Казахстан к родственникам, находившимся на поселении. Наконец, автор придает большое значение влиянию дяди на собственное творчество: Николаев показывал Тицу свои вокальные сочинения, которые нередко исполнялись самим Гуго Ионатановичем и многими его учениками, например, П. Глубоким, В. Черновым и др.

The notes of Aleksey A. Nikolaev are dedicated to the famous singer and vocal teacher, Professor at the Moscow Conservatory, one of the representatives of the creative dynasty of the Nikolaevs and Titz. After spending many years next to Hugo Titz, the author captured him not only as a wonderful performer, but also as a close relative, friend and mentor. The notes begin with a brief history of the migration of common ancestors from Germany to Russia in the second half of the 18th century; among the hobbies of these people, music occupied a very prominent place. Musically gifted was the father of Hugo Titz (and the maternal grandfather of Aleksey Nikolaev) Jonathan. He was seriously fond in singing, took vocal lessons in Moscow from Anna I. Knipper and, undoubtedly, passed on his singing gift to his son. Nikolaev tells about the teaching of Hugo Titz at the Moscow Conservatory (their classes were nearby), his articipation in performances of the Conservatory Opera Studio; shares impressions of his performance of opera parts and of the annual chamber concerts. The personal traits of Hugo Titz are revealed, in particular, in episodes that tell about joint pastime during vacations and trips to Kazakhstan to visit their deported relatives. Finally, the author attaches great importance to the influence of Titz on his own work: Nikolaev showed the singer his vocal compositions, which Titz often performed himself, as well as his students, such as P. Glubokiy, V. Chernov, and many others.
Analysis of Metabolites in Human Gut: Illuminating the Design of Gut-Targeted Drugs
Authors: Gil-Pichardo Alberto , Sánchez-Ruiz Andrés , Colmenarejo Gonzalo
Published: August 2023

Gut-targeted drugs provide a new drug modality besides that of oral, systemic molecules, that could tap from the growing knowledge of gut metabolites of bacterial or host origin and their involvement in biological processes and health through their interaction with gut targets (bacterial or host, too). Understanding the properties of gut metabolites can provide hints for the design of gut-targeted drugs. In the present work we analyze a large set of gut metabolites, both shared with serum or present only in gut, and compare them with oral systemic drugs. We find patterns specific for these two subsets of metabolites that could be used to design drugs targeting the gut. In addition, we develop and openly share a Super Learner model to predict gut permanence, in order to aid in the design of molecules with appropriate profiles to remain in the gut, resulting in molecules with putatively reduced secondary effects and distribution issues.
Unravelling Irreversible Adsorbate Thermodynamics through Adsorption Assisted Desorption
Authors: Abdelrahman Omar , Lawal Ajibola
Published: August 2023

Strongly bound surface species like alkylamines adsorbed on the Brønsted acid site of aluminosilicate zeolites exhibit negligible rates of molecular desorption, preventing them from achieving an equilibrated state on experimentally relevant timescales that limit the measurement of their adsorption thermodynamics. Through adsorption-assisted desorption, whereby distinct alkylamines facilitate desorption from Brønsted acid sites, we demonstrate that equilibrated states are achieved. Breakthrough adsorption measurements reveal that while 2-butylammonium on a Brønsted acid site is irreversibly adsorbed, it readily undergoes molecular desorption when exposed to a distinct alkylamine like 2-propylamine. As a result, two-adsorbate equilibrium was achieved when exposing Brønsted acid sites of aluminosilicate zeolites to a binary vapor phase alkylamine mixture. By varying relative vapor phase partial pressures and temperatures, we demonstrate the ability to experimentally measure the adsorption enthalpy and entropy of alkylammonium adsorbates on mostly isolated Brønsted acid sites in H-ZSM-5 (Si/Al = 140). A multi-adsorbate Langmuir isotherm was found to quantitatively describe the co-adsorption of alkylamines varying in size and basicity over a wide range of conditions, through which the relative adsorption enthalpy and entropy of alkylamines were measured. Across a homologous family of sec-alkylamines (C3-C5) adsorbed on isolated Brønsted acid sites, a fixed contribution to the enthalpy (19 ± 4 kJ mol CH2-1) and entropy (25 ± 4 J mol CH2-1 K-1) of adsorption per methylene unit of was found to exist, likely resulting from electrostatic interactions between the alkyl chain and surrounding pore environment.
Organometallic Bridge Diversification of Bicyclo[1.1.1]pentanes
Authors: Anderson Joseph , Poole Darren , Cook Gemma , Murphy John , Measom Nicholas
Published: August 2023

Bicyclo[1.1.1]pentane (BCP) derivatives have attracted significant recent interest in drug discovery as alkyne, tert-butyl and arene bioisosteres, where their incorporation is frequently associated with increased compound solubility and metabolic stability. While strategies for functionalisation of the bridgehead (1,3) positions are extensively developed, platforms allowing divergent substitution at the bridge (2,4,5) positions remain limited. Recent reports have introduced 1 electron strategies for arylation and incorporation of a small range of other substituents, but are limited in terms of scope, yields or practical complexity. Herein, we show the synthesis of diverse 1,2,3-trifunctionalised BCPs through lithium-halogen exchange of a readily accessible BCP bromide. When coupled with medicinally relevant product derivatisations, our developed 2-electron “late stage” approach provides rapid and straightforward access to unprecedented BCP structural diversity (>20 hitherto-unknown motifs reported). Additionally, we describe a method for the synthesis of enantioenriched “chiral-at-BCP” bicyclo[1.1.1]pentanes through a novel stereoselective bridgehead desymmetrisation.
High throughput mass spectrometry assay for early chick gender determination: less than 3s total analysis time per sample.
Authors: Drouin Nicolas , Liu Chang , Cox David M. , Young J. Bryce , Desmoulins Serge , Hoogkamer Kelly , van Bommel Leonard , Azam Farzana , Wighton James , Covey Thomas R. , Bruins Wouter , Stutterheim Wil , Harms Amy C. , Hankemeier Thomas
Published: August 2023

Chicken eggs are one of the most consumed foods around the world. However, male chickens from egg-producing species are considered unprofitable as they produce too little meat and no eggs. For this reason, day-old male chicks are discarded, lead-ing to animal welfare concerns. As an alternative for chick culling, we have recently reported 3-[(2-aminoethyl)sulfanyl]butanoic acid (ASBA) as a biomarker for early in ovo gender determination. In the present work, we describe the optimization of acoustic droplet ejection-mass spectrometry (ADE-MS) conditions and automated sample prepa-ration compatibility for the high throughput quantification of ASBA from allantoic fluid. Special attention is given to the optimization of ADE-MS compatible liquid handling and the development of the data processing to ensure a reliable gender prediction. We have been able to accurately determine the gender of day-9 eggs with a prediction accuracy of 96%, with a throughput of 1800 samples per hour.
A Telescoped Continuous Flow Enantioselective Process to Access Chiral Intermediates of Atomoxetine, Dapoxetine, Duloxetine and Ezetimibe
Authors: Maestro Aitor , Nagy Bence , Ötvös Sandor , Kappe Oliver
Published: August 2023

A telescoped continuous flow process is reported for the enantioselective synthesis of chiral precursors of 1-aryl-1,3-diols, intermediates in the synthesis of Ezetimibe, Dapoxetine, Duloxetine and Atomoxetine. The two-step sequence consists of an asymmetric allylboration of readily available aldehydes using a polymer-supported chiral phosphoric acid catalyst to introduce asymmetry, followed by selective epoxidation of the resulting alkene. The process is highly stable for at least 7 h and represents a transition-metal free enantioselective approach to valuable 1-aryl-1,3-diols.
Aligned Bioelectronic Polypyrrole/Collagen Constructs for Peripheral Nerve Interfacing
Authors: Trueman Ryan , Guillemot-Legris Owein , Lancashire Henry , Mehta Abijeet , Tropp Joshua , Daso Rachel , Rivnay Jonathan , Tabor Alethea , Phillips James , Schroeder Bob
Published: August 2023

Electrical stimulation has shown promise in clinical studies to treat nerve injuries. This work aimed to create an aligned bioelectronic construct that can be used to bridge a nerve gap, directly interfacing with the damaged nerve tissue to support regeneration. The conductive three-dimensional bioelectronic scaffolds described herein are composite materials, comprised of conductive polypyrrole (PPy) nanoparticles embedded in an aligned collagen hydrogel. The bioelectronic constructs were seeded with dorsal root ganglion (DRG) derived primary rat neurons and electrically stimulated in vitro. The PPy loaded constructs supported a 1.7-fold increase in neurite length in comparison to control collagen constructs. Furthermore, upon electrical stimulation of the PPy-collagen construct, a 1.8-fold increase in neurite length was shown. This work illustrates the potential of bioelectronic constructs in neural tissue engineering and lays the groundwork for the development of novel bioelectronic materials for neural interfacing applications.
71Ga NMR Signatures of Lewis and Brønsted Acid Sites in Gallium Silicates Evidenced and Deciphered upon Interaction with Probe Molecules
Authors: Docherty Scott , Völker Laura , Yakimov Alexander , Verel René , Copéret Christophe
Published: August 2023

Determining the structure of Ga surface sites in Ga-based materials, used in catalysis, is critical for understanding their reactivity. However, obtaining molecular-level insights into their structure remains challenging. Here, using solid state Nuclear Magnetic Resonance (NMR) spectroscopy (71Ga, 31P and 15N), two different families of acid sites are identified in a gallosilicate material (Ga@SiO2), prepared via Surface Organometallic Chemistry and used as an efficient heterogeneous propane dehydrogenation catalysts or catalyst support. Through probe molecule studies using pyridine (Py) and triphenylphosphine oxide (TPPO), coupled with the synthesis of well-defined molecular analogs of surface sites and computational modelling on related cluster models using density functional theory, the Ga NMR signatures and the molecular structure of two types of sites, namely Brønsted acid sites and Lewis acid sites, are identified. These tetra-coordinate sites can be described as Ga sites bound to three anionic siloxide surface ligands along with a silanol or a siloxane bridge, respectively, each associated with specific NMR parameters, which change markedly upon interaction with Py or TPPO, thereby enabling their structural characterization.
Synthetic glycans reveal determinants of antibody functional efficacy against a fungal pathogen
Authors: Crawford Conor J. , Guazzelli Lorenzo , McConnell Scott A. , McCabe Orla , d'Errico Clotilde , Greengo Seth , Wear Maggie P. , Jedlicka Anne J. , Casadevall Arturo , Oscarson Stefan
Published: August 2023

Antibodies play a vital role in the immune response to infectious diseases and can be administered passively to protect patients. In the case of Cryptococcus neoformans, a WHO fungal critical priority pathogen, infection results in antibodies targeting capsular glucuronoxylomannan (GXM). These antibodies produce diverse outcomes, however the molecular basis for antigen recognition remain unknown. To address this, we constructed a microarray containing twenty-six glycans representative of those found in highly virulent cryptococcal strains and utilised it to study sixteen monoclonal antibodies with distinct in vivo functions. Notably, protective and non-protective antibodies shared conserved reactivity to the M2 motif of GXM, irrespective of their origin from infection or vaccination. Interestingly, only two antibodies (12A1 and 18B7) exhibited diverse tri-valent GXM motif reactivity. Additionally, IgG subclass antibodies associated with protective responses showed cross-reactivity to at least two GXM motifs. The specificity and affinity of glycan binding were modulated by somatic mutation (12A1) and isotype switching (3E5 and 4H3), subsequently influencing their functional effects. This enhanced understanding of antibody binding epitopes was used to map the antigenic diversity of two Cryptococcus neoformans strains. Our results highlight the exceptional complexity of fungal capsular polysaccharides and underscore the imperative for developing multi-GXM motif vaccines. Such a vaccine holds the potential to elicit a comprehensive and effective immune response capable of neutralising the vast antigenic diversity presented by cryptococcal capsules.
Data-driven imputation of miscibility of aqueous solutions via graph-regularized logistic matrix factorization
Authors: Behnoudfar Diba , Simon Cory , Schrier Joshua
Published: August 2023

Aqueous, two-phase systems (ATPSs) may form upon mixing two solutions of independently water-soluble compounds. Many separation, purification, and extraction processes rely on ATPSs. Predicting the miscibility of solutions can accelerate and reduce the cost of the discovery of new ATPSs for these applications. Whereas previous machine learning approaches to ATPS prediction used physicochemical properties of each solute as a descriptor, in this work, we show how to impute missing miscibility outcomes directly from an incomplete collection of pairwise miscibility experiments. We use graph-regularized logistic matrix factorization (GR-LMF) to learn a latent vector of each solution from (i) the observed entries in the pairwise miscibility matrix and (ii) a graph (nodes: solutes, edges: shared relationships) indicating the general category of the solute (i.e., polymer, surfactant, salt, protein). For an experimental dataset of the pairwise miscibility of 68 solutions from Peacock et al. [ACS Appl. Mater. Interfaces 2021, 13, 11449--11460], we find that GR-LMF more accurately predicts missing (im)miscibility outcomes of pairs of solutions than ordinary logistic matrix factorization and random forest classifiers that use physicochemical features of the solutes. GR-LMF obviates the need for features of the solutions/solutes to impute missing miscibility outcomes, but it cannot predict the miscibility of a new solution without some observations of its miscibility with other solutions in the training data set.
Insulin–Dendrimer Nanocomplex for Multi-Day Glucose-Responsive Therapy in Mice and Swine
Authors: Xian Sijie , Xiang Yuanhui , Liu Dongping , Fan Bowen , Mitrová Katarína , Ollier Rachel , Alloosh Muhammad Ali , Jiráček Jiří , Sturek Michael , Alloosh Mouhamad , Webber Matthew
Published: August 2023

The management of diabetes in a manner offering autonomous insulin therapy responsive to glucose-directed need, and moreover with a dosing schedule amenable to facile administration, remains an ongoing goal to improve the standard of care. While basal insulins with reduced dosing frequency, even once-weekly administration, are on the horizon, there is still no approved therapy that offers glucose-responsive insulin function. Herein, a nanoscale complex combining both electrostatic and dynamic-covalent interactions between a synthetic dendrimer carrier and an insulin analogue modified with a high-affinity glucose-binding motif yields an injectable insulin depot affording both glucose-directed and long-lasting insulin availability. Following a single injection, it is even possible to control blood glucose for at least one week in diabetic swine subjected to oral glucose challenges. Measurements of serum insulin concentration in response to challenge show increases in insulin corresponding to elevated blood glucose levels, an uncommon finding even in preclinical work on glucose-responsive insulin. Accordingly, the subcutaneous nanocomplex that results from combining electrostatic and dynamic-covalent interactions between a modified insulin and a synthetic dendrimer carrier affords a glucose-responsive insulin depot for week-long control following a single routine injection.
Density Functional Theory and Machine Learning for Electrochemical Square-Scheme Prediction: An Application to Quinone-type Molecules Relevant to Redox Flow Batteries
Authors: Hashemi Arsalan , Khakpour Reza , Mahdian Amir , Busch Michael , Peljo Pekka , Laasonen Kari
Published: August 2023

Proton-electron transfer (PET) reactions are rather common in chemistry and crucial in energy storage applications. How electrons and protons are involved or which mechanism dominates is strongly molecule and pH dependent. It is the nature of the participants in the reaction that dictates how electrons and protons are involved and which mechanism dominates. Quantum chemical methods can be used to assess redox potential and acidity constant values but the computations are rather time consuming. In this work, supervised machine learning (ML) models are used to predict PET reactions and analyze molecular space. The data for ML have been created by density functional theory (DFT) calculations. Random Forest Regression models are trained and tested on a dataset that we created. The dataset contains more than 8200 organic molecules that each underwent a two-proton two-electron transfer process. Both structural and chemical descriptors are used. The HOMO of the reactant and LUMO of the product participating in the oxidation reaction appeared to be inversely associated with \oxE. Trained models using a SMILES-based descriptor can efficiently predict the pKa and redox potential with a mean absolute error of less than 1 and 66 mV, respectively. High prediction accuracy of $R^2 > 0.76$ and $> 0.90$ was also obtained on the external test set for redox potential and pKa, respectively. This hybrid DFT-ML study can be applied to speed up the screening of quinone-type molecules for energy storage and other applications.
A COMPREHENSIVE ANALYSIS OF EXTERNAL COSTS OF ACCIDENTS
Authors: Maternová Andrea , Dávid Andrej , Stupalo Vlatka , Materna Matúš
Published: August 2023

Research background: This paper focuses on the concept of external costs in transportation and the implications of incorporating them into decision-making processes. It highlights that external costs of transport encompass the disparity between social costs, representing all expenses associated with transport infrastructure provision and usage, and private costs borne by individual transport users. The absence of market incentives prevents transport users from considering external costs, leading to account for only a part of social costs when making transport decisions, which ultimately leads to suboptimal outcomes. Thus, internalisation of external costs represents a crucial part of the decision-making process for transport users. Purpose of the article: The purpose of this article is to provide a theoretical approach to the research problem of internalisation of external costs into decision-making processes in transportation. It aims to define the concept of external costs, the methods used for quantification of externalities and show current state of transport accident costs in EU and nonEU countries. Methods: This study was conducted through a research design and methodology that involved existing literature analysis, collecting input values on external costs of transport, and assessing the current stage of internalisation of externalities in various countries and transport modes. The sample size included relevant countries and a specific period of time. Findings & Value added: The paper provides an overview of the input values and methodologies used to provide estimates for the external costs of transport. Moreover, the paper presents total, average and marginal external costs for all relevant countries. The current extent of internalisation of external costs by current taxes and charges for all countries and transport modes. It also investigates recommended options for further internalisation.
Impacting Children’s Physical and Mental Health through Kinesiology Support in Clinical Care: A Randomized Controlled Trial Protocol
Authors: Hanzal Nacera , Yaraskavitch Jenna , Longmuir Patricia E. , McCormick Anna M. , Lougheed Jane , Lamontagne Christine , Goulet Kristian B. , Ward Leanne M. , Katz Sherri L. , Robinson Marie-Eve , Abbott Lesleigh S. , Kovesi Thomas A. , Reisman John J. , Pohl Daniela , Alazem Hana
Published: August 2023

Objectives: To enhance the confidence of children and adolescents with medical conditions and disabilities to engage in healthy, active lifestyles. Children with medical conditions and disabilities often exhibit more sedentary lifestyles relative to peers and are at increased risk of poor health outcomes. Clinical experience suggests physical activity confidence is an important factor influencing physical activity participation.Methods: This randomized controlled trial evaluates an evidence-based intervention targeting physical activity confidence among children and adolescents with medical conditions and disabilities. Potential participants, 8 to 18 years of age diagnosed with a medical condition or disability, will be screened for adequate physical activity motivation but a lack confidence. Consenting participants (n=128) will be randomized 1:1 to a 12-week in-person or virtual physical activity intervention (24 hours/week total) led by a Registered Kinesiologist or control (assessments only). The intervention will combine physical activity participation with education about physical activity knowledge, goal setting, motivation and self-management. Primary outcomes are self-reported physical activity confidence and motivation at baseline, post-intervention and three months following intervention completion. A secondary outcome will be daily physical activity minutes assessed by accelerometry. A repeated measures mixed model will be used to compare outcomes between the in-person intervention, virtual intervention, and control groups (alpha=0.05).Conclusions: This trial aims to assess the impact of a novel application of behaviour change theory on physical activity confidence among children and adolescents living with medical conditions or disabilities. Increased physical activity confidence, knowledge and skills could enable these youth to lead a more active lifestyle.
The Effect of Debt Maturity Structure on Investment Decisions in Food and Beverage Industry in Indonesia
Authors:   Faculty of Economics and Business, Trisakti University, Jakarta, Indonesia, Ridha Mahfi Lalu Rasyid , Leon Farah Margaretha ,   Faculty of Economics and Business, Trisakti University, Jakarta, Indonesia
Published: August 2023

The purpose of this research is to see the effect of debt maturity structure on investment decisions. The independent variable in this study is the debt maturity structure. The dependent variable is investment decision while the control variable consists of lagged investment, fixed asset turnover, leverage, return on total assets, liquidity, cash flow and firm size. This research was conducted by collecting data from 54 companies in the food and beverage sub-sector in Indonesia over a period of 3 years (2019-2021) and using a panel data regression model in its testing. The results of the research conducted explained that the variables of debt maturity structure, leverage, liquidity, and cash flow have no effect on investment decisions, lagged investment variables, return on total assets, and company size have a significant positive effect on investment decisions while the fixed asset turnover variable has a significant negative effect on investment decisions. The implication of the research that has been done is to provide direction for financial managers to seek to increase the use of fixed assets, and increase the return on total company assets and optimal use of company fixed asset turnover, while investors should choose companies that have high company size, return on total assets that are high and the previous year's high fixed assets.
Batik Paintings, A Beautiful Cultural Heritage​
Authors:   Tunku Abdul Rahman University of Management and Technology, Malaysia, Subramaniam Maithreyi , Sim Fei Chin Jacqueline ,   Tunku Abdul Rahman University of Management and Technology, Malaysia, Tay Guan Tan ,   Tunku Abdul Rahman University of Management and Technology, Malaysia, Yar Shi Tan ,   Tunku Abdul Rahman University of Management and Technology, Malaysia
Published: August 2023

In early 2020, Malaysia’s creative industry was weakened by the country’s constant lockdown due to pandemic Covid-19. Lim Anuar, a deaf artist, illustrator, and designer, was struggling financially and missed his family in Vietnam as many galleries and art workshops were closed during this pandemic. In this research, the authors discussed the impact of Covid-19 towards creative industries globally, issues with Malaysian creative industry and batik during Covid-19, batik paintings during modern Malaysian art in between 60s-70s, Kwan Chin’s style of Modern Malaysian batik paintings, exploration of Lim Anuar’s batik paintings in contemporary Malaysian art. Three significant batik paintings of the artist’s interest namely Gotong-Royong II, Best Friends, and Family Togetherness, produced in 2021 were discussed in terms of subject, form, and content. The researchers found that there are some influences from the Western art namely Cubism and Kwan Chin’s “crackle” effect in Lim Anuar’s batik paintings. This study also clarifies that local artists especially those with special needs who contributed to the development of contemporary Malaysian art should be given more opportunities for career expansion and voice in the creative industry during the post-pandemic era of Covid-19.
Integration of Graphic Design Thinking Assessment Tools for 21st Century
Authors:   UOW Malaysia KDU University College, Malaysia, Su Cheong Wong , Shaharom Mohd Shahril Nizam ,   Faculty of Education, Universiti Malaya, Malaysia
Published: August 2023

21st Century of quality education involves multiple facets, nevertheless it shouldn’t limit to content knowledge while learning skill development such as thinking skill, communication and creativity have to be the emphasis. P21 framework [1] have been addressed to the educators without offering any effective instructional formulae to achieve those upgraded objectives. To propose a revised graphic design instructional framework that places emphasis on competency, it would be helpful to analyze the current Malaysian educational approaches to match the new generation of learning trends. This paper suggests that the flexibility and multiple dimensions of assessments in graphic design learning should be taken into consideration in proposing a revised graphic design instructional framework. An updated instruction framework has been introduced to focus on learners’ creativity, ownership, and real-world problem-solving skills, as well as the ability to communicate and collaborate. Giridharan’s [2] report suggested that there is a necessity to update graphic design curriculum to prepare the students for upcoming challenges, especially in the era of IR 4.0. Indeed, today’s education should measure how much one has learned through ownership instead of how much knowledge one has gained. In encouraging graphic design pedagogy to be more inclusive, a newly revised teaching instructional framework is proposed to stimulate active learning as well as thinking skills embedded in the learning experience. Integrated Creative Activity Instruction (ICAI) is the recommended solution for the next generation of graphic design learning with problem-based learning as a key vehicle. ICAI framework was developed and designed based on James Gibson’s [3] Affordance Theory and Robert Marzano’s [4]. New Thinking taxonomy It is imperative to implement new ICAI pedagogy to infuse creative and critical thinking into the course curriculum to produce graduates who will be in line with the industry and professional demands. There are three stages in this research study, needs analysis, pilot test, and ICAI evaluation stage. The final phase of ICAI evaluation has proven that the newly proposed framework can stimulate the academic performance of average and low achievers for better learning satisfaction and creativity development in a graphic design context. Research findings have proven that high creativity is parallel with higher learning satisfaction and performance in graphic design learning. To ensure graphic designer professionalism align with the digital economy, the finding of this study encompass the importance of creativity development and thinking skills in producing future graphic design graduates with high competency in solving real world problems.
ВНЕШНЕТОРГОВЫЕ ОТНОШЕНИЯ РОССИИ В СОВРЕМЕННЫХ УСЛОВИЯХ
Authors: Бабаева Диана Раифовна
Published: August 2023

Метод и методология проведения работы. Исследование основывается на общенаучной методологии, которая предусматривает применение системного подхода к решению проблем. Основой данной работы являются эмпирические наблюдения автора за особенностями ведения внешней торговли России на фоне современных общемировых реалий, подкрепленные аналитическими обобщениями доступной информации. Результаты. Аналитически определено, что внешнеторговые отношения страны должны являться частью общего процесса экономического развития государства и соответствовать потребностям и национальным интересам России. Особенно важно укрепление торгово-экономических отношений Российской Федерации с восточными соседями в свете принятия очередного пакета санкций западными странами и давления мирового сообщества. Выявлены и обобщены наиболее перспективные направления внешнеторговой политики России - наиболее значимые параметры, которые характеризуют состояние экономической системы страны, ее устойчивость, потенциал роста. Решение проблемы переориентации внешнеторгового сотрудничества России предложено рассматривать с учетом развития российского и мирового рынка. Область применения результатов. Результаты проведенного исследования могут использоваться при обосновании методов и современных аспектов внешнеторгового сотрудничества России, а также в разработке на этой основе практических рекомендаций по выбору наиболее перспективных форм и методов обеспечения внешнеторговых отношений России в текущих реалиях. Выводы. Необходимо проведение грамотной внешнеэкономической политики государства в области принятия и, что более важно, применения на практике решений, направленных на совершенствование внешнеторговых отношений, структурные преобразования, повышение уровня благосостояния страны.