bluuebunny/crossref_metadata_2025 huggingface dataset:
Developing a valid VR-based safety tool framework for hospitality TVET: A Fuzzy Delphi analysis with academic and industry experts
Authors: Saad Mazni , Sahrir Muhammad Sabri , Jeinie Muhammad Halim , Abdullah Norhidayah , Haminuddin Norsuhana , Mokhtar Muhammad Khalid
Published: August 2024

The research explores academia and industry experts’ viewpoints regarding the innovative progression of Virtual Reality (VR)-based safety tools customized for technical and vocational education training (TVET) within commercial kitchen contexts. Developing a VR-based safety tools holistic framework is crucial in identifying constructs to mitigate the risks prevalent in commercial kitchens, encompassing physical, chemical, biological, ergonomic, and psychosocial hazards workers encounter. Introducing VR-based safety training represents a proactive strategy to bolster education and training standards, especially given the historically limited attention directed toward workers’ physical and mental well-being in this sector. This study pursues a primary objective: validating a framework for VR-based kitchen safety within TVET’s hospitality programs. In addition to on-site observations, the research conducted semi-structured interviews with 16 participants, including safety training coordinators, food service coordinators, and IT experts. Participants supplemented qualitative insights by completing a 7-Likert scale survey. Utilizing the Fuzzy Delphi technique, seven constructs were delineated. The validation process underscored three pivotal constructs essential for the VR safety framework’s development: VR kitchen design, interactive applications, and hazard identification. These findings significantly affect the hospitality industry’s safety standards and training methodologies within commercial kitchen environments.
Unveiling the heterogeneity: How adult student attributes impact their experiences of academic challenges in a pilot lifelong learning program
Authors: Wang Dan , Hanafi Zahyah
Published: August 2024

Lifelong learning (LLL) is progressively recognized as a crucial component of personal and professional development, particularly for adult students. As a heavily populated developing country, China requires profound national education reform to support its economic development and maintain its competitive advantage on the global economic stage. The governmental policy endorses the execution of diverse forms of lifelong learning programs to bolster the national education reform. However, implementing such programs can be challenging for all the stakeholders of the programs, especially for adult students. The weaker foundational knowledge and insufficient online learning abilities of adult students particularly highlight the academic challenges they face. This study explores the academic challenges faced by adult learners in a Chinese vocational college’s LLL program. Focusing on ex-soldiers, unemployed individuals, migrant workers, and new professional farmers (aged 22–44), data were collected from 16 adult students via purposive sampling. Semi-structured interviews and document analysis revealed recurring thematic academic challenges. Additionally, the study found that adult student attributes (highest education level, age) significantly influenced the unique academic challenges they encountered. This research provides practical solutions to improve LLL programs and promote successful lifelong learning experiences for adult students.
Ensino da semiologia a partir da mobilização dos alunos no contexto da pandemia
Authors: Iesbik Ivana da Rosa , Haag Aline , Buffara Leonardo Trindade , Tureck Fernando
Published: August 2024

A pandemia do COVID-19 trouxe um panorama totalmente desconhecido e cheio de incertezas na formação dos estudantes de medicina. Em curto espaço de tempo, as escolas médicas tiveram que se reinventar e implantar uma nova forma de ensinar medicina frente às medidas sanitárias de contenção da COVID-19, que previam entre outras ações, a suspensão das atividades presenciais tanto teóricas quanto práticas. Com a melhora da pandemia, alunos de medicina mobilizaram-se para a criação de um curso de extensão de semiologia, focado em aulas práticas, como forma de contornar as lacunas criadas pela pandemia. O presente relato de experiência tem como objetivo relatar as atividades realizadas pelos alunos na criação e desenvolvimento do curso de semiologia, bem como a percepção dos alunos que frequentaram o curso sobre o processo de ensino da semiologia. A mobilização dos estudantes que propuseram o projeto de extensão e atuaram como monitores permitiu que os alunos participantes das atividades pudessem ter um maior contato com os pacientes e desenvolvessem as suas habilidades para realizar anamnese, exame físico e raciocínio clínico. O feedback desses alunos demonstra a importância de buscar alternativas para contornar a suspensão das aulas presenciais, principalmente em disciplinas em que a vivência prática é fundamental.
Effectiveness of ALTO® Program in Reducing Opioid Prescription Rates in Inspira Woodbury Freestanding Emergency Department (FSED)
Authors:   Rowan-Virtua School Of Osteopathic Medicine, NB Patel
Published: August 2024

Since the 1990s, the emergence of opioid medications and focus on treating pain has led the United States to struggle with the opioid epidemic. Still to this day, countless communities are affected by addiction and overdoses due to high opioid prescription rates and misuse.
Testing the Effectiveness of Substance Misuse Outpatient Treatment Settings on Treatment Completion for Women with Substance Use Disorder Using Propensity Score Matching
Authors:   University Of Hawaii, MT Godinet
Published: August 2024

Background: The literature varies when exploring treatment outcomes as they relate to the type of drug used in conjunction with the type of treatment setting in particular on women. This study employs Propensity Score Matching (PSM) to balance the treatment groups and thus optimize the estimation effects of Substance Use Disorder (SUD) treatment on Treatment Completion (TC) among women with SUD.
Experimental Study of Low-Thrust, End-Burning Solid Rocket Motors Including Plume Radiant Emission
Authors: Mathesius Kelly J. , Knotts Michael E. , Vernacchia Matthew T. , John Hansman R.
Published: August 2024

Low-thrust, end-burning solid rocket motors have applications as propulsion systems for a class of small, transonic, uncrewed aerial vehicles. This paper provides new experimental measurements for characterizing small, low-thrust, end-burning motors. Four static fires measured the effects of motor chamber pressure and propellant oxamide content on exhaust plume radiant intensity, which could be important for vehicle visibility and tracking. Exhaust plume radiant intensity was found to be sensitive to a change in oxamide content and relatively insensitive to a change in chamber pressure for these motors. Thrust, chamber pressure, and burn rate were also measured for these motors, and a model for the minimum burn pressure of oxamide-doped propellants was improved.
Application of Boundary Layer Combustion in High-Mach-Number Scramjets
Authors: Peng Yuan , Xu Jinglei , Chen Kuangshi
Published: August 2024

Boundary layer combustion is an approach to the reduction of skin friction in hypersonic propulsion systems based on reducing the Reynolds shear stress in the turbulent boundary layer by combustion heat release. In this study, the Reynolds-averaged Navier–Stokes methodology is adopted to study the drag reduction characteristics of boundary layer combustion in high enthalpy flow. Two novel explanations of the local increase in skin friction caused by ignition delay are given in terms of flow structure and the Kármán momentum integral equation, respectively. In addition, it is found that the inhibitory effect of combustion heat release on Reynolds shear stress is gradually weakened with increasing total enthalpy, which is detrimental to drag reduction. Finally, a combination of radical farming and boundary layer combustion is proposed to improve the drag reduction effect. This approach is verified by using a two-dimensional simplified M12-02 scramjet model, with the results indicating that radical farming can considerably suppress ignition delay and thereby further benefit drag reduction and combustion.
Nonlinear Nonmodal Analysis of Hypersonic Flow over Blunt Cones
Authors: Scholten Anton , Paredes Pedro , Choudhari Meelan M. , Li Fei , Carpenter Mark , Bailey Michelle
Published: August 2024

The linear amplification of modal disturbances that lead to boundary-layer transition in two-dimensional/axisymmetric hypersonic configurations is strongly reduced by the presence of a blunt nose tip, and the mechanisms underlying the low Mack’s second-mode [Formula: see text]-factor values at the observed onset of transition over the cone frustum are currently unknown. Linear nonmodal analysis has shown that both planar and oblique traveling disturbances that peak within the entropy-layer experience appreciable energy amplification for moderate to large nose-tip bluntness. The present study extends the previous linear analysis by including the nonlinear effects. Specifically, the harmonic Navier–Stokes equations (HNSE) are solved with a fully implicit formulation and the Newton–Raphson method. The increased number of degrees of freedom for the nonlinear system presents difficulties for solution strategies based on direct solution of the linearized system. Such difficulties are overcome by using the generalized minimal residual method (GMRES) iterative method with a preconditioner corresponding to a simplified Jacobian without the cross-derivative terms. The HNSE solver is verified by comparing with nonlinear parabolized stability equation results for the nonlinear evolution of planar waves in an incompressible Blasius boundary layer and in a Mach 6 flow over a blunt cone. Finally, nonlinear nonmodal results are presented for planar traveling disturbances over a blunt cone configuration with reduced transition [Formula: see text] factor as measured in wind-tunnel experiments. The nonmodal analysis demonstrates that entropy-layer disturbances generated close to the nose tip can seed the amplification of higher-frequency Mack’s second-mode instabilities farther downstream and hence can lead to a reduction in the transition [Formula: see text] factor.
On-the-Fly Unsteady Adjoint Aerodynamic and Aeroacoustic Optimization Method
Authors: Zhi Haolin , Xiao Tianhang , Qin Ning , Deng Shuanghou , Lu Zhaoyan
Published: August 2024

An on-the-fly unsteady adjoint-based aerodynamic and aeroacoustic optimization methodology is presented, aiming to achieve practical engineering applications to explore high-efficiency and low-noise design for aerodynamic shapes. Firstly, a novel on-the-fly hybrid CFD-CAA approach is developed with a close integration of unsteady Reynolds-averaged Navier–Stokes equations and a fully viscous time-domain FW-H formulation. Subsequently, an adjoint-based sensitivity analysis method is proposed for unsteady aerodynamic and aeroacoustic problems with either stationary or moving boundaries, wherein a unified architecture for discrete-adjoint sensitivity analysis of both aerodynamics and aeroacoustics is achieved by integrating the on-the-fly hybrid CFD-CAA approach. The on-the-fly approach facilitates direct evaluation of partial derivatives required for solving adjoint equations, eliminating the need for explicitly preprocessing flow and adjoint variables at all time levels in a standalone adjoint CAA solver and consequently substantially reducing memory consumption. The proposed optimization methodology is implemented within an open-source suite SU2. Results show that the proposed on-the-fly adjoint methodology is capable of achieving highly accurate sensitivity derivatives while significantly reducing memory requirements by an order of magnitude, and further demonstrations of single-objective and coupled aerodynamic and aeroacoustic optimizations highlight the potential of the proposed method in exploring high-efficiency and low-noise design for aerodynamic shapes.
Kaposi's Sarcoma and Bartonella Coinfection in HIV-Positive Patient
Authors:   Hospital Santa Rosa. Lima, Perú, Sernaque Mechato Roger Antonio , Biminchumo Sagastegui Clariza ,   Hospital Santa Rosa. Lima, Perú, Jimenez Mercado Diego Alejandro ,   Instituto de investigaciones en ciencias biomédicas. Universidad Ricardo Palma, Lima, Perú., Toledo de la Torre Jesús Dario ,   Hospital Santa Rosa. Lima, Perú, Mendoza Barreto Flor Milagros ,   Universidad Nacional Federico villarreal. Lima. Perú.
Published: August 2024

Introduction: Kaposi's sarcoma is a multifocal malignant neoplasm of endothelial cells, its etiological agent is HHV-8 and it constitutes one of the defining pathologies of AIDS. It represents approximately 12% of cancers diagnosed in people living with HIV. Bacillary angiomatosis (AB) is a rare infectious disease caused by bacteria of the genus Bartonella spp., transmitted by vectors such as fleas, lice, and mosquitoes. In patients with human immunodeficiency virus (HIV) infection with a CD4+ T-cell count <100 cells/µL, it is associated with angiomatous lesions with neovascularization that involve the skin and, to a lesser extent, mucous membranes, liver, spleen, and bones. Clinical case: the case of a 48-year-old male patient with a history of HIV on HAART for 15 years, who was admitted for an outpatient infectious disease clinic due to violaceous nodular lesions in the right and left MMII, upper eyelid. left and oropharynx. During hospitalization, a blood culture report was obtained that was positive for Bartonella and a biopsy result of a lower limb lesion concluded that Kaposi's Sarcoma was present. Upper gastrointestinal endoscopy and chest and abdominal tomography were performed, which showed the visceral and systemic involvement of Kaposi's Sarcoma. The HIV genotype is performed, resulting in resistance to antiretrovirals, so the medication is changed and chemotherapy is started, with the patient showing a good response and improvement. Conclusion: HIV-related Kaposi's Sarcoma affects AIDS patients in a much more severe, aggressive, and fulminant manner compared to other immunodeficient groups. However, when presenting characteristic lesions, we must consider its main differential diagnosis: Bacillary Angiomatosis, which, even very uncommonly, may occur simultaneously.
Beauty from within: A comprehensive review on interplay between gut health and skin
Authors: Thangamuni Angel Sara , Harshiba Hiba Fathimathul , Rafi Nabeel Muhammed , Nitol Adiba Farhin , Mohan Joysha , Korrapati Naga Harika
Published: August 2024

This article sheds light on the explicit relationship between intestinal health and its imminent effects on the skin. The gut-skin axis, a two-way communication mechanism, affects how healthy your skin overall is. Emerging studies suggest that a healthy gut microbiota can improve skin health drastically by lowering inflammation, boosting collagen formation, and mitigating various skin problems. With probiotics emerging as a promising approach, the study emphasizes the potential benefits of probiotic supplementation in enhancing gut and skin health. Understanding this complex relationship holds promise for innovative skincare and therapeutic therapies, thereby bridging the gap between internal well-being and external beauty.
A Rare Cause of Right Heart Failure
Authors: Ashwini Kolichala , Betham Rajendra , Nathani Srikanth
Published: August 2024

A 63-year-old female presented with the right heart failure, on evaluation, a two-dimensional echocardiogram showed a huge left atrial mass causing pseudo-obstruction and right ventricular (RV) failure. Following stabilization and prompt tumor excision, the patient’s RV dysfunction improved. Atrial myxomas can manifest as constitutional embolic or obstructive symptoms. Usually, the right-sided myxomas cause RV dysfunction, but, in this case, atrial myxoma caused RV dysfunction with timely intervention the outcome became better.
RECOMMENDATIONS FOR IMPROVED CALCULATIONAL-EXPERIMENTAL EVALUATION OF RADIATION LOAD PARAMETERS ON VVER REACTOR TYPE EQUIPMENT
Authors: Бородкин П.Г. , Хренников Н.Н.
Published: August 2024

Важным условием обоснования продления срока службы незаменяемого оборудования АЭС (корпуса реактора, опорных конструкций реактора) с реакторами типа ВВЭР является подтверждение достоверности параметров радиационной нагрузки (флюенс быстрых нейтронов, число смещений на атом), используемых для обоснования ресурса оборудования. Оценка значений параметров радиационной нагрузки в характерных точках оборудования основывается на результатах расчета характеристик поля нейтронов, проведенного инженерным методом расчета. Другим важным моментом является необходимость получения надежных экспериментальных данных для подтверждения расчетных методик по определению параметров радиационной нагрузки на оборудовании ВВЭР. В настоящей статье рассмотрены подходы по расчетно-экспериментальной оценке параметра радиационной нагрузки с учетом всех неопределенностей расчета и эксперимента. Оценка основана на результатах проведенных нейтронно-активационных измерений на внешней поверхности корпусов реакторов ВВЭР. С использованием предлагаемого расчетно-экспериментального анализа получена улучшенная оценка параметра, которая может быть использована при оценках состояния оборудования.В работе приведены оценки параметров радиационной нагрузки ВВЭР и выявлены основные закономерности формирования поля нейтронов на различное оборудование реакторов ВВЭР. По результатам проведенных исследований предложены рекомендации по дополнительным подходам в части проведения мониторинга радиационной нагрузки на оборудование ВВЭР.

An important condition for justification and extension of VVER non-restorable equipment (reactor pressure vessel,reactor support structures) lifetime is to confirm the reliability of radiation load parameters (neutron fluence, number of displacements per atom) used to justify the residual life-time. Estimation of the radiation load parameters on the equipment is based on the results of the neutron-transport calculations, carried out by the engineering methods. Another important issue is to get reliable experimental data to confirm the calculation methods used for estimation of the radiation load parameters on the VVER equipment.This paper shows approaches of the calculational-experimental estimation of the radiation load parameters taking into account all uncertainties of the calculation and measurements. Such estimation is based on the results of neutron activation ex-vessel measurements. The proposed calculational-experimental analysis allows to get improved estimation of the parameter which can be used in the equipment conditions assesement.The paper presents new estimation of the radiation load parameters on VVER equipment and shows the neutron field parameters distributions on different VVER equipment. Based on the results of such investigations some recommendations are proposed for additional approaches in radiation load monitoring on the VVER equipment.
GRAPHICAL APPROACH TO DETERMINING THE THERMOBARIC BOUNDARIES OF THE EXPLOSIVE RANGE OF MONOETHANOLAMINE IN NITRIC ACID SOLUTIONS
Authors: Смирнов А.В. , Белова Е.В. , Соколов И.П.
Published: August 2024

Проведен анализ данных по термической устойчивости азотнокислых (0,8–6,6 м оль/л) растворов моноэтаноламина в диапазоне температур 90–150 °С и давлении выше атмосферного. Определены зависимости: ▪ температуры начала теплового взрыва от концентрации азотной кислоты; ▪ периода индукции от концентрации азотной кислоты и температуры термостата; ▪ давления взрыва от концентрации азотной кислоты и температуры начала теплового взрыва. Установлено изменение механизма реакции с увеличением температуры и концентрации азотной кислоты. Приведены графики Т–С–Р и Т–С–d диаграмм с границами области взрываемости. Оценены уровни давления взрыва и периода индукции в области взрываемости.

The analysis of data on the thermal stability of nitric acid solutions (0,8–6,6 mol/L) of monoethanolamine in the temperature range of 90–150 °C and above atmospheric pressure was carried out. Determined were the dependences of: ▪ the onset temperature of a thermal explosion on the concentration of nitric acid; ▪ the induction period on the nitric acid concentration and thermostat temperature; ▪ the explosion pressure on the concentration of nitric acid and the onset temperature of the thermal explosion. A change in the reaction mechanism with increasing temperature and concentration of nitric acid was established. Graphs of T–C–P and T–C–d diagrams with the boundaries of the explosive range were presented. The levels of explosion pressure and induction period in the explosive range were estimated.
CALCULATED ESTIMATION OF EXPLOSION PRESSURE FOR URANIUM NITROGEN AEROSOL
Authors: Соколов И.П.
Published: August 2024

Проведен анализ рекомендуемой в нормативных документах методики расчета избыточного давления взрыва. Отмечен ряд упрощений, допущенных при обосновании расчетных формул, снижающих точность определения значений избыточного давления взрыва для горючих пылей. Проведен сравнительный анализ значений максимального давления взрыва аэровзвесей пирофорных материалов, принимающих участие в химико-технологических процессах объектов ядерного топливного цикла. Рассчитаны стандартные тепловые эффекты реакций окисления данных пирофорных материалов на воздухе. Установлены корреляционные зависимости между максимальными давлениями взрыва, тепловыми эффектами реакций, концентрациями частиц пирофорных материалов. В результате проведенного анализа оценены значения максимального давления взрыва и соответствующей ему концентрации частиц нитрида урана, являющегося основным компонентом нитридного топлива. Оценены значения избыточного давления взрыва аэровзвеси нитрида урана с увеличением его массы и расстояния от эпицентра взрыва.

The analysis of the methods recommended in the regulatory document for calculation of excessive explosion pressure was carried out. A number of precision reducing simplifications were noted during calculation formulas justification, which reduce the accuracy of determining the values of excessive explosion pressure for combustible dusts. The comparative analysis of maximum explosion pressure was carried out for aerosol pyrophoric materials used in chemical processing in nuclear fuel cycle facilities. The standard reaction heat effects for oxidation of pyrophoric materials in the air were calculated. The correlation dependences between maximum explosion pressures, reaction heat effects, concentration of pyrophoric materials particles in the air were determined. Values of maximum explosion pressure and corresponding concentration of uranium nitrogen particles, which is the primary component of the nitrogen fuel, were estimated. Values of excessive explosion pressure of uranium nitrogen aerosol as a function of its mass increase and distance from the epicenter of the explosion were estimated.
GlyCombo enables rapid, complete glycan composition identification across diverse glycomic sample types
Authors: Kelly Maia I , Ashwood Christopher
Published: August 2024

Glycans are sugar-based polymers found to modify biomolecules including lipids and proteins, as well as occur unconjugated as free polysaccharides. Due to their ubiquitous cellular presentation, glycans mediate crucial biological processes and are frequently sought after as biomarkers for a wide range of diseases. Identification of glycans present in samples acquired with mass spectrometry (MS) is a cornerstone of glycomics research, thus, the ability to rapidly identify glycans in each acquisition is integral to glycomics analysis pipelines. Here we introduce GlyCombo (https://github.com/Protea-Glycosciences/GlyCombo), an open-source, freely available software tool designed to rapidly assign monosaccharide combinations to glycan precursor masses including those subjected to MS2 in LC-MS/MS experiments. GlyCombo was evaluated across six diverse datasets, demonstrating MS vendor, derivatization, and glycan-type neutrality. Compositional assignments using GlyCombo are shown to be faster than the current, predominant approach, GlycoMod, a closed-source web application. Two unique features of GlyCombo, multiple adduct search and off-by-one error anticipation, reduced unassigned MS2 scans in a benchmark dataset by 40%. Finally, the comprehensiveness of glycan feature identification is exhibited in Skyline, a software that requires pre-defined transitions that are derived from GlyCombo output files.
How to Determine Glass Transition Temperature of Polymer Electrolytes from Molecular Dynamics Simulations
Authors: GUDLA HARISH , Zhang Chao
Published: August 2024

Molecular dynamics (MD) simulations become increasingly important to study polymer electrolytes, which are a promising solution for solid-state batteries. Nevertheless, a less-known issue is that the effective temperature in MD simulations is different from those used in experiments partly due to the accuracy of underlying molecular force fields. This calls to use the normalized temperature in MD simulations to better connect with experiment and to report the glass transition temperature (Tg) of simulation systems. Here we show how one can determine Tg with a good consensus by delving into the practical intricacies of setting up MD simulations, choosing different methods of annealing simulations and analyzing the results.
Probing the Breathing of Reactive Electrical Double Layer
Authors: Xiao-Yu Li , Cai Yu-Chen , Meng Zhao-Dong , Jia Ze-Tong , Ye Jin-Yu , Tian Na , Zhou Zhi-You , Huang Jun , Sun Shi-Gang , Wang Tao
Published: August 2024

Fundamental understanding of the electrical double layer (EDL) under reactive conditions remains limited, hindering progress in electrocatalysis and energy conversion technologies. Herein, microscopic dynamics of the EDL during the hydrogen evolution reaction (HER) is probed using in-situ surface-enhanced infrared adsorption spectroscopy (SEIRAS). We demonstrate that the inner layer of the EDL contracts and then expands back in a positive-negative-positive potential cycle, a process we term “EDL breathing”. Challenging the classical static picture of the EDL, the contraction of inner layer significantly amplifies the strength of local electric field, revealing a nonlinear relationship between the local electric field and electrode potential. This work deepens our understanding of reactive electrocatalytic interfaces and provides novel insights into EDL dynamics, crucial for leveraging the EDL to advance green technologies.
High Specific Activity during Electrochemical CO2 Reduction through Homogeneous Deposition of Gold Nanoparticles on Gas Diffusion Electrodes
Authors: Yamada Takuya , Iwase Kazuyuki , Todoroki Naoto , Honma Itaru
Published: August 2024

The electrochemical CO2 reduction reaction (CO2RR) has attracted attention as a promising strategy for converting CO2 into value-added products. Gas diffusion electrodes (GDEs) loaded with metallic nanoparticles as electrocatalysts are expected to efficiently reduce CO2 due to the high specific surface area of such particles and the superior mass transport characteristics of GDEs. In the present study, GDEs loaded with homogeneous layers of sub-nanometer gold (Au) nanoparticles were fabricated using a radio frequency sputtering technique that had a low deposition rate. This allowed precise control of the catalyst loading. The Au-loaded GDEs exhibited significantly higher CO production efficiency compared with the electrodes fabricated by conventional deposition methods using dispersed Au nanoparticles. Additionally, a Au-loaded GDE having a catalytic layer thickness of 10 nm demonstrated a mass-based CO production activity of 1882 A g-¹ at -0.85 V. This is the highest value yet reported. This work confirmed that the uniform deposition of sub-nanometer metallic particles gives enhanced catalyst utilization. The results of this research provide important insights into the design of efficient CO2RR electrodes and highlight the potential of radio frequency sputtering to fabricate high-performance CO2RR electrodes as an approach to realizing carbon-neutral technologies.
Building a computational ready database for macrocycles and organic cages
Authors: Yang Siyuan , Ji Heng , Zhang Jinjin , Chen Linjiang , Liu Ming
Published: August 2024

The development and sharing of computational databases for metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) has greatly accelerated the discovery of these materials for various applications. Besides porous frameworks, molecular materials have recently grown as an emerging subclass of porous materials benefit from its crystallinity, modularity and processibility. Among them, macrocycles and cages are the most representative molecules. In this study, we present what we believe to be the most comprehensive macrocycles and cages database to date, comprising 7,939 structures. Our Macrocycles and Cages Database (MCD) was constructed by a series of steps: (1) automated identification of Cambridge Structural Database (CSD) entries likely to contain macrocycles or cages, (2) manual filtering to eliminate inaccuracies, (3) thorough verification and cleaning of the structures containing macrocycles or cages, (4) geometric optimisation of the validated experimental structures, and (5) calculation of Density-Derived Electrostatic and Chemical (DDEC6) charges for the optimised structures. Using the MCD, we performed simulations of binary CO2/CH4 competitive adsorption under industrially relevant conditions, resulting in a structure-property-function relationship that facilitates the identification of promising materials for this separation. In addition, this map supports the formulation and exploration of potential material design principles.
Diverging Reaction Pathways and Key Intermediates in Ethylene Forming Enzyme
Authors: Wang Chao , Sayfutyarova Elvira
Published: August 2024

Ethylene-forming enzyme (EFE) is a non-heme iron (II)- and 2-oxoglutarate-(Fe(II)/2OG)-dependent oxygenase that exhibits distinct catalytic activity. While most Fe(II)/2OG-dependent oxygenases catalyze the substrate hydroxylation accompanied by the decarboxylation of the 2OG cosubstrate to succinate, EFE primarily converts the 2OG into CO2 and ethylene. Experimental studies suggest that the reaction mechanism of EFE does not involve the Fe(IV)=O (ferryl) intermediate central in the consensus mechanism for hydroxylation in Fe(II)/2OG-dependent oxygenases, and the ethylene-forming reaction pathway diverges early in the catalytic cycle after binding molecular oxygen. In this paper, we employ a multifaceted approach, including molecular dynamics, quantum mechanics and molecular mechanics methods, theoretical Mössbauer spectroscopy, and the analysis of the intrinsic electric field exerted by the protein environment, to examine possible reaction pathways for ethylene formation and hydroxylation in EFE. Our study reveals a new reaction pathway with a low energy barrier via the formation of Fe(II)-pyrocarbonates, which is different from all previously proposed reaction mechanisms. Based on our results, we introduce a revised reaction mechanism for the ethylene formation in the EFE that is consistent with the available experimental data. This work also provides new insights into both the first and second branchpoints of the ethylene-forming pathway that can be useful in EFE modifications aimed at shifting the product yield in the EF reaction.
Selection for Photocatalytic Function through Darwinian Evolution of Synthetic Self-Replicators
Authors: Liu Kai , Markovitch Omer , van Ewijk Chris , Knelissen Yari Katar , Kiani Armin , Eleveld Marcel , Roos Wouter H. , Otto Sijbren
Published: August 2024

The onset of Darwinian evolution represents a key step in the transition of chemical systems into living ones. Here, we show the emergence of Darwinian evolution in two systems of self-replicating molecules, where natural selection favors replicator mutants best capable of catalyzing the production of the precursors required for their own replication. Such selection for protometabolic activity was observed in a system where trimer and hexamer replicators compete for common resources, as well as in a system of different hexamer replicator mutants. An out-of-equilibrium replication-destruction regime was implemented in a flow reactor, where replication from continuously supplied dithiol building blocks needs to keep up with “destruction” by outflow. Selection occurred based on the ability of the mutants to activate a cofactor that photocatalytically produces singlet oxygen which, in turn, enhances the rate by which dithiol building blocks are converted into disulfide-based replicator precursors. Selection was based on a functional trait (catalytic activity) opening up Darwinian evolution as a tool for catalyst development. This work functionally integrates self-replication with protometabolism and Darwinian evolution and marks a further advance in the de-novo synthesis of life.
Coordenação federativa e a gestão da pandemia de COVID-19 na Região Integrada de Desenvolvimento do Distrito Federal e Entorno (Ride-DF)
Authors: Carvalho de Souza Sergio Magno
Published: August 2024

No contexto da pandemia de COVID-19, tem emergido a questão sobre a atuação das diferentes esferas de governo no Brasil e suas relações de articulação/ coordenação. Em escala nacional, dentro de um sistema marcado pelas contradições do federalismo brasileiro, o quadro aponta para uma reduzida coordenação e mesmo a judicialização de ações. No caso da Região Integrada de Desenvolvimento do Distrito Federal e Entorno (Ride-DF), a ação dos chefes dos Poderes Executivos envolvidos em sua gestão aponta para situação de conflito em torno das medidas de enfrentamento da pandemia. O objetivo do trabalho é analisar em que medida há coordenação de ações para resposta à COVID-19 na Ride-DF por parte dos Governos Estaduais de Minas Gerais e Goiás e do Governo do Distrito Federal. Parte-se da premissa que a ação entre os três governos é descoordenada e isso é reflexo dos problemas do próprio federalismo brasileiro e do histórico de reduzida articulação e de fragilidade institucional da Ride-DF. A metodologia empregada envolveu a análise dos planos de contingência nacional e das Unidades da Federação que compõem a Ride-DF, o envio de questionamentos via Lei de Acesso à Informação e a análise dos planos de operacionalização da vacinação nas mesmas Unidades da Federação. Os resultados apontaram para uma quase total ignorância da Ride-DF no momento de atuação da resposta à COVID-19, tanto nos planos de contingência quanto nos planos de operacionalização da vacinação. Os questionamentos direcionados aos governos do Distrito Federal e o Governo do Estado de Goiás demonstraram como principal ação conjunta desses entes o estabelecimento de um Termo de Cooperação sobre o tema, porém com efetividade muito reduzida. Ficou constatada uma ação isolada dos governos estaduais e distrital, como reflexo da tendência de pouca articulação federativa na resposta à crise sanitária da COVID-19.
“Geografia Política: o que é afinal e para que serve” por Iná E. de Castro. Comentários e reflexões.
Authors: Arnaldo Ruckert Aldomar
Published: August 2024

Ensaio em resposta ao artigo publicado no volume anterior da Revista Espaço e Geografia.
A caça fantasma vem aí!
Authors: Da Fonseca Antônio Angelo
Published: August 2024

Ensaio em resposta ao artigo publicado no volume anterior da Revista Espaço e Geografia.
A fantasia de que será o que já foi: uma observação geográfica sobre a Avenida W3 Sul a partir das ações governamentais pós-2019
Authors: Sousa Diogo
Published: August 2024

Com a definitiva instalação de Brasília como sede da administração pública federal, surgiu com ela a necessidade de criação de estabelecimentos de serviços para dar suporte à vida. Nos primeiros anos da capital do Brasil, eles ficaram concentrados na Avenida W3 Sul, que segundo os projetos iniciais, seria secundária, com vistas à logística do abastecimento da cidade. Ainda nos anos iniciais, a via gerou uma centralidade, concentrando as principais lojas de departamento, supermercados, magazines e vestuários até o final da década de 1970, quando a partir da consolidação e constituição de shoppings centers, entrou em gradual decadência, permanecendo assim até os dias atuais. Desde meados da década de 1990, a partir de políticas públicas, dá-se a tratativa de sua requalificação, com a implantação de outros usos e funções, com o auge na atualidade, por meio da revitalização de parte de sua infraestrutura, calçamento, jardins e pontos de ônibus, com a prioridade geral de alavancar o setor produtivo e manter os existentes e reabrir equipamentos ligados ao terceiro setor. A partir do entendimento de referências bibliográficas e de entrevistas com consumidores, gerentes, lojistas e funcionários, além de pesquisa de campo em uma sexta-feira anterior ao dia das mães do ano de 2022, foi averiguada, por meio de pesquisa quali-quantitativa, se a intervenção consolidou-se e obteve sucesso e se reverteu a trajetória de degringolamento da W3 Sul. Foi constatado que mesmo após essas ações, dois quintos do estabelecimentos estão fechados, e as funções deles concentram-se nas áreas de serviços bancários, alimentação e bebidas, educação e cursos preparatórios e casa e lar, sobretudo para suporte aos próprios trabalhadores das redodezas. Apesar da adequação da infraestrutura, com o nivelamento da calçada e colocação de ladrilhos, granitina e piso táctil, a política pública solucionou parcialmente a adequação do passeio e insuficientemente a questão central da ação governamental.
ASSESSING SYMPTOM CHANGE OF NEURODEVELOPMENTAL AND PSYCHOPATHOLOGY FACTORS USING LATENT GROWTH CURVE ANALYSIS IN THE ABCD STUDY
Authors:   , Hassall Isaac
Published: August 2024

Diagnostic models such as the hierarchical taxonomy of psychopathology (HiTOP) are gaining notice amongst the psychopathology research community due to issues with traditional classification methods (Kotov et al., 2021). Yet, the placement of neurodevelopmental symptoms in HiTOP remains unclear, partly due to a lack of longitudinal research on their stability, and of their distinction from externalising symptoms. Using data from the Adolescent Brain Cognitive Development (ABCD) study, we conducted latent growth curve analysis to assess the comparable change of neurodevelopmental symptoms and other latent factors across pre-adolescence, using factor structure determined by Michelini and colleagues (2019). We predicted that neurodevelopmental symptoms would show the lowest improvement of model fit when constrained to represent change across time. We expected that this would also be reflected in greater associations with birth weight, due to functional developmental differences, in line with previous findings in this sample (Dooley et al., 2022). Findings indicated that while the specification of a slope (constrained change of symptom severity) for the neurodevelopmental factor fit the data less well than a slope for the internalising and externalising factors, these differences were only moderate. After controlling for covariates, we found no relationship to be significant between birth weight and any psychopathology domain, with pre-term birth appearing to be a strong and unique predictor of neurodevelopmental symptoms, and household income being the strongest predictor of internalising and externalising symptoms. These findings implicate both the distinctiveness of neurodevelopmental symptoms and the effect of the p factor, which represents co-occurrence of symptoms in general. Future research should continue to investigate the placement of neurodevelopmental symptoms within psychopathology factor models.
Furnace Temperature Curve Optimization Model Based on Differential Evolution Algorithm
Authors: Cheng Yiming
Published: August 2024

When soldering electronic components onto circuit boards, the temperature curves of the reflow ovens across different zones and the conveyor belt speed significantly influence the product quality. This study focuses on optimizing the furnace temperature curve under varying settings of reflow oven zone temperatures and conveyor belt speeds. To address this, the research sequentially develops a heat transfer model for reflow soldering, an optimization model for reflow furnace conditions using the differential evolution algorithm, and an evaluation and decision model combining the differential evolution algorithm with the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) method. This approach aims to determine the optimal furnace temperature curve, zone temperatures of the reflow oven, and the conveyor belt speed.
Analysis of Osteoporosis Risk Factors in 148 Retired Employees Based on Physical Examination Results
Authors: Cao Sunhang , Liu Zhengfeng , Cheng Guiyu , Zhai Dongmei , Li Peng , Huang Chunshui
Published: August 2024

Objective: To investigate and thoroughly understand the physical examination results of retired employees from a certain unit in Beijing, analyze their bone mineral density (BMD), and identify risk factors that may indicate osteoporosis. This provides a reference for the individualized prevention, identification, and control of osteoporosis among retired employees. Methods: The bone mineral density and potential factors of 148 retired employees from a unit in 2023 were analyzed and categorized into osteoporosis and non-osteoporosis groups. Key factors from the physical examinations of the two groups were compared. Spearman’s correlation analysis was used to determine the correlation between key factors and osteoporosis. Significant key factors were included in a regression analysis. A multivariate binary logistics regression was employed to identify risk factors indicative of osteoporosis. Results: Correlation analysis revealed that gender, age, and ECG ST-segment length were significantly associated with osteoporosis. Regression analysis showed that for each additional year of age, the likelihood of developing osteoporosis increased by 1.058 times; females were 2.865 times more likely to develop osteoporosis compared to males; the longer the ECG ST-segment, the higher the likelihood of osteoporosis. Conclusion: Gender, age, and ECG ST-segment length are significantly associated with osteoporosis. These indicators can provide reference points for early identification, early intervention, and reducing the incidence of osteoporosis in clinical settings.
ВОСТРЕБОВАННЫЕ НАВЫКИ В СЕЛЬСКОМ ХОЗЯЙСТВЕ
Authors: БОЧАРОВА ЕЛЕНА ВИКТОРОВНА
Published: August 2024

Знания, умения и навыки, как основные элементы человеческого капитала, выступают важнейшими факторами устойчивого развития агропродовольственного комплекса России в условиях неопределенности. Постоянно возникающие глобальные вызовы и угрозы формируют запрос на проведение скрининговых и достоверных методов исследования. Одним из них является семантический анализ открытых бесплатных баз данных по поиску работы. Целью данной статьи является выявление востребованных со стороны работодателей навыков работников сельского хозяйства с помощью данной методики. На основании полученных эмпирических результатов осуществлена экспертная дифференциация запросов на две группы навыков - жесткие («hard skills») и мягкие («soft skills»), проведен их анализ и сравнение. В результате проведенного исследования установлено, что представители агробизнеса предпочитают работников, обладающих совокупностью мягких и жестких навыков, предъявляя больше требований относительно их компетенций в профессиональной сфере. Представленное исследование позволяет разработать идеальный компетентностный профиль работника современного сельского хозяйства с наиболее востребованными для работодателей навыками без привязки к конкретной должности. Данный инструмент дает возможность определить основные запросы, предъявляемые к потенциальным сотрудникам отрасли и в будущем оценить их соответствие данным требованиям. Предлагаемый метод экспресс-диагностики необходимых для аграрного сектора навыков и компетенций может быть использован кадровыми службами сельскохозяйственных организаций, образовательными структурами в процессе профессиональной подготовки и переподготовки работников, а также органами власти для разработки краткосрочных и среднесрочных прогнозов социально-экономического развития.
ПРАВОВЫЕ АСПЕКТЫ РАЗВИТИЯ СОЦИАЛЬНОЙ ИНФРАСТРУКТУРЫ СЕЛЬСКИХ ТЕРРИТОРИЙ
Authors: УШАКОВ РОМАН ИГОРЕВИЧ
Published: August 2024

В статье показано, что в основе процессов развития социальной инфраструктуры сельских территорий в России лежит финансово-правовой механизм, направленный на обеспечение социально-экономического развития села. При этом финансирование для обеспечения функционирования социальной инфраструктуры на сельских территориях осуществляется из различных финансовых источников: федеральных, региональных и муниципальных бюджетов, а также внебюджетных источников. Особую роль занимают целевые субсидии в рамках реализации различных государственных и ведомственных программ федерального и регионального уровней, мероприятий национальных проектов. Практическое значение полученных результатов заключается в том, что были обоснованы рекомендации, направленные на усовершенствование государственного управления по развитию социальной инфраструктуры сельских территорий, за счет реализации механизма государственно-частного и муниципально-частного партнерства и концессии, при которых органы местного самоуправления получают дополнительные финансовые механизмы, необходимые для комплексного развития села, в том числе по развитию социальной инфраструктуры и социального обеспечения населения в сельской местности через реализацию совместных проектов и программ с заинтересованными организациями-инвесторами, включая предприятия и компании АПК, в рамках которых инвесторам предоставляются выгодные финансовые условия и различные инструменты, в том числе льготные условия по кредитам, налогам, а также иные преференции. Автор в статье обобщает основные направления реализации правового инструментария поддержки и развития экономики сельских территорий. В статье подробно раскрывается целевое назначение государственных целевых программ социально-экономического развития сельских территорий.
ОПТИМИЗАЦИЯ ПАРАМЕТРОВ КАЧЕСТВА ТОРГОВОГО ОБСЛУЖИВАНИЯ В ДИСТАНЦИОННОЙ ТОРГОВЛЕ
Authors: ДЫГАНОВА РЕНАТА РАФАИЛЕВНА
Published: August 2024

В статье рассмотрена специфика параметров качества торгового обслуживания в дистанционной торговле. Приведена необходимость выявления оптимального набора показателей качества торгового обслуживания, способствующего достижению социальной и экономической эффективности. Рассмотрена взаимосвязь между параметрами качества торгового обслуживания и результатами деятельности хозяйствующих субъектов в дистанционной торговле. Адаптировано применение симплекс метода в дистанционной торговле в части оптимизации показателей качества торгового обслуживания. В результате анализа была определена оптимальная структура показателей качества торгового обслуживания в организациях дистанционной торговле при заданных параметрах. Полученные в статье выводы позволяют сформировать оптимальный набор показателей качества торгового обслуживания, способствующий максимизации прибыли.»