bluuebunny/crossref_metadata_2025 huggingface dataset:
Micose fungoide e suas variantes
Authors: Calheiros Aniely Andrade Dantas Barreto , Felce Luana Aragão Costa de Castro , Fonseca José Henrique Lucena , Santos Débora Glenda dos , Nunes Sofia Heloise Souza , Correia Sthéfane Maia , Farias Aline Desiree de Paiva , Barros Melina Sarmento da Silveira Formiga , Brandão Fernando Trindade Medeiros , Souza Pedro Licurgo Nunes
Published: August 2024

Objetivo: Analisar as características da Micose Fungoide (MF). Revisão bibliográfica: A MF é o tipo mais comum de linfoma cutâneo, apesar da incidência rara na população geral. É mais prevalente em homens, negros, adultos e idosos e cursa com apresentação heterogênea, caracterizada por três fases clínicas: mancha, placa e estágio tumoral. A MF é suspeita em lesões cutâneas refratárias às terapias-alvo ou quando há acometimento polimórfico em distribuição típica (áreas protegidas do sol). Essa patologia traz consigo diversos diagnósticos diferenciais, tais como doenças cutâneas infecciosas, oncológicas e autoimunes, sendo necessária uma anamnese minuciosa e análise histopatológica para confirmação. Os achados histopatológicos, por sua vez, dependem da fase de doença em que a biópsia é realizada, sendo o epidermotropismo um marco característico da doença. O tratamento dessa afecção é guiado por seu estadiamento, que leva em consideração extensão da doença, acometimento linfonodal, metástase e alterações sanguíneas. Considerações finais: Apesar de representar uma doença de baixa incidência populacional, a MF deve ser reconhecida pela comunidade científica, tendo em vista o impacto na qualidade de vida dos indivíduos quando não identificada precocemente, já que faz diagnóstico diferencial com outras dermatoses mais habituais e exige uma investigação clínica e histopatológica mais acurada.
Addressing disparities in rural and remote access for rheumatology practice through a transformative tele-healthcare delivery system: Experience of a large cohort of patients in eastern India
Authors: DAS BIDYUT KUMAR , PARIDA MANOJ KUMAR , TRIPATHY SAUMYA RANJAN , PATTANAIK SARIT SEKHAR , YADAV SANJAY KUMAR , MISHRA SAROJ K.
Published: August 2024

Background

We present the experience of telerheumatology consultation services carried out in an eastern state of India.

Methods

We did this prospective, observational study of patients with rheumatological disorders and followed through telemedicine between December 2015 and May 2019.

Results

During the study period, we provided teleconsultation to 3583 patients with the help of 11 201 telemedicine visits. Patients resided at a median distance of 248 (13 to 510) km from the telemedicine hub. The cumulative savings of the patients as a result of this service were ₹2.4 crore (24 million). The median travel time saved was 7 hours (30 minutes to 12 hours) per patient per visit and a median of ₹6700 was saved per visit per patient.

Conclusion

Sustained efforts over a long period can lead to the delivery of essential rheumatology services via telemedicine to an under-priviledged population, reduce the financial burden of the poor, and help women to access healthcare services in remote parts of low- and middle-income countries (LMICs).
REVITALISASI KAMPUNG WISATA SOHEDEN (SOCO HERBAL GARDEN) KABUPATEN MAGETAN
Authors: Fatmala Fenti , Sari Nika Kartika , Yusdita Elana Era
Published: August 2024

Abstract. The purpose of this article is to explain the implementation of community service carried out by the Ormawa Himadik PPK team. The program was implemented in Soco Village, Bendo District, Magetan Regency with the theme Eduwisata. Soco Village is one of the villages that has started implementing the Edutourism Village program since 2021. However, everything seems neglected and not well maintained due to the lack of visitors and the absence of good and correct tourism management. The activity implementation method consists of 12 methods ranging from surveys to making reports. The results of this program are new conditions including (1) Tourism managers gain knowledge of soft skills and hard skills for tourism management and financial management; (2) After the formation of the POKDARWIS management structure, it is hoped that there will be a clear division of tasks based on the knowledge presented previously; (3) The existence of supporting facilities and infrastructure for the safety and comfort of visitors, namely plant name labels, increasing the number of plant species, repairing miniature ship ladders, and learning facilities for Pancasila student profiles; (4) Arrangement of tourist routes and installation of tourist layouts in Soco Village; (5) There are additional visitors after the facilities and infrastructure have increased, both from students and the general public

 

Abstrak. Tujuan dari artikel ini adalah untuk menjelaskan implementasi dari pengabdian masyarakat yang dilaksanakan tim PPK Ormawa Himadiksi. Program dilaksanakan di Desa Soco, Kecamatan Bendo, Kabupaten Magetan dengan tema Eduwisata. Desa Soco merupakan salah satu desa yang mulai melaksanakan program Desa Eduwisata sejak tahun 2021. Akan tetapi semua terkesan terbengkalai dan tidak terawat dengan baik karena sepinya pengunjung serta tidak adanya pengelolaan wisata yang baik dan benar. Metode pelaksanaan kegiatan terdiri dari 12 metode mulai dari survey sampai dengan pembuatan laporan. Hasil dari program ini adanya kondisi baru meliputi (1) Pengelola wisata mendapatkan ilmu softskill dan hardskill untuk pengelolaan wisata dan manajemen keuangan; (2) Setelah terbentuknya struktur kepengurusan POKDARWIS diharapkan ada pembagian tugas yang jelas berdasarkan ilmu yang disampaikan sebelumnya; (3) Adanya sarana dan prasarana penunjang untuk keselamatan dan kenyamanan pengunjung, yaitu label nama tanaman, penambahan jumlah spesies tanaman, perbaikan tangga miniatur kapal, dan sarana pembelajaran profil pelajar pancasila; (4) Adanya penataan alur wisata dan pemasangan layout wisata di Desa Soco; (5) Adanya penambahan pengunjung setelah sarana dan prasarana bertambah baik dari kalangan pelajar maupun umum

 

 
PELATIHAN PEMBUATAN VCO (VIRGIN COCONUT OIL) DALAM MEWUJUDKAN PROJEK PENGUATAN PROFIL PELAJAR PANCASILA (P5) PADA SISWA KELAS VII SMP WARDHANI
Authors: Isrianto Pramita Laksitarahmi , Wilujeng Sukian , Marmi Marmi , Sunaryo Sunaryo , Ramadhanty Erlinda Shella , Setianingsih Indri
Published: August 2024

Abstract. The development of creativity in students in adolescence needs to be improved because in adolescence the curiosity for something new is higher. Therefore, it is necessary to hone their talents and creativity with positive things. As for the purpose of carrying out community service to students in order to develop knowledge of local wisdom products and skills that are still minimal, the idea of positive student creativity makes school conditions require a thought of transformation of science and technology by utilizing existing potential, so that it can shape the character of the community, especially students and students to be self-sufficient without leaving formal education at school. The creative solution that can be provided is to provide knowledge and training related to VCO (Virgin Coconut Oil) to seventh grade students of Wardhani Junior High School. VCO (Virgin Coconut Oil) is a pure coconut oil that is very beneficial for health. The method of implementation is providing material on the understanding and benefits of VCO, and demonstrating manufacturing techniques with the stages of preparation, implementation, assistance and evaluation. The results of the activity obtained 90% of participants have understood the basic techniques of making VCO and later students can have skills in developing VCO products into business opportunities to become entrepreneurs at a young age.

 

Abstrak. Pengembangan kreativitas pada siswa-siswi pada usia remaja perlu ditingkatkan karena pada usia remaja rasa ingin tahu akan sesuatu yang baru lebih tinggi. Oleh sebab itu perlu mengasah bakat dan kreativitasnya dengan hal yang positif. Adapaun tujuan dilaksanakan pengabdian pada siswa siswi agar mengembangkan pengetahuan produk kearifan lokal dan keterampilan yang masih minim ide kreativitas siswa yang bersifat positif membuat kondisi sekolah membutuhkan suatu pemikiran transformasi ilmu pengetahuan dan teknologi dengan memanfaatkan potensi yang ada, sehingga dapat membentuk karakter masyarakat khususnya siswa dan siswi untuk berdikari tanpa meninggalkan pendidikan formal di sekolah. Adapun solusi kreatif yang dapat diberikan yaitu memberikan pengetahuan dan  pelatihan terkait  VCO (Virgin Coconut Oil) pada siswa kelas VII SMP Wardhani. VCO (Virgin Coconut Oil)  merupakan minyak kelapa murni  yang sangat bermanfaat bagi kesehatan. Metode  pelaksanaannya yaitu pemberian materi tentang  pengertian dan manfaat VCO, dan  demonstrasi teknik pembuatan dengan tahapan persiapan, pelaksanaan, pendampingan dan evaluasi. Hasil dari kegiatan diperoleh 90% peserta sudah memahami teknik dasar pembuatan VCO dan nantinya siswa-siswa  dapat memiliki keterampilan  dalam mengembangankan Produk VCO menjadi peluang usaha menjadi enterpreuner  pada usia remaja.

 
Perancanagan Monitoring RPM Motor Induksi Tiga Fasa pada Penggerak Generator
Authors: Pradana Lukman Dika Setyo
Published: August 2024

Motor induksi merupakan salah satu mesin listrik yang banyak digunakan karena pengunaan yang fleksibel. Salah satunya digunakan untuk membuat miniatur pembangkit listrik dengan cara motor induksi digunakan sebagai penggerak generator. Dalam mengasilkan listrik kecepatan putar yang digunakan untuk memutar generator akan berdampak pada output genetaror yang dihasilkan, selain itu dampak dari pemberian beban pada generator juga akan mempengaruhi kecepatan putar generator. Maka dari itu untuk mengetahui variabel kecepatan putar generator/motor, diperlukan suatu sistem untuk monitoring kecepatan putar (rotation per minute/RPM). Sensor yang digunakan untuk mendeteksi kecepatan putar adalah TCRT5000. Hasil pengujian pengambilan data dari TCRT5000 dengan stroboskop sebagai pembanding ditemukan error pada sensor yang dipakai adalah 0,6%, dan memiliki kemampuan baca sebesar 4800 RPM. Data pembacaan sensor akan di simpan pada mikro SD. Dan nantinya pembacaan RPM akan dikonversi menjadi sinyal analog 4 – 20 mA sebagai standard sinyal komunikasi pada instrumentasi industri yang diatur pada ANSI/ISA-S50.1-1982. Hasil pengujian didapat bahwa sinyal 4 – 20 mA yang dihasilkan mempresentasikan 0-3060 RPM.
СОВРЕМЕННЫЕ ВОЗМОЖНОСТИ И ТЕНДЕНЦИИ РАЗВИТИЯ ИНФОРМАЦИОННЫХ СИСТЕМ ДИСТАНЦИОННОГО МОНИТОРИНГА СЕЛЬСКОХОЗЯЙСТВЕННЫХ ЗЕМЕЛЬ И ПОСЕВОВ
Authors: Лупян Е.А. , Барталев С.А.
Published: August 2024

Статья посвящена обсуждению задач, связанных с проведением дистанционного мониторинга сельскохозяйственных земель и посевов. Кратко рассмотрены возможности современных спутниковых систем и технологий наблюдения, а также их стремительное развитие в последние годы. Представлены основные возможности организации работы с данными дистанционного зондирования для решения различных мониторинговых задач, созданные в Институте космических исследований Российской академии наук (ИКИ РАН) и реализованные в различных информационных системах Созвездие-Вега (http://sozvezdie-vega.ru/).
ИСПОЛЬЗОВАНИЕ МАТЕРИАЛОВ ДИСТАНЦИОННОГО ЗОНДИРОВАНИЯ ЗЕМЛИ В ЕДИНОЙ ФЕДЕРАЛЬНОЙ ИНФОРМАЦИОННОЙ СИСТЕМЕ О ЗЕМЛЯХ СЕЛЬСКОХОЗЯЙСТВЕННОГО НАЗНАЧЕНИЯ (ЕФИС ЗСН)
Authors: Козубенко И.С. , Бегляров Р.Р. , Вандышева Н.М. , Бабак В.А. , Денисов П.В. , Трошко К.А.
Published: August 2024

В статье представлены основные функции Единой федеральной информационной системы о землях сельскохозяйственного назначения (ЕФИС ЗСН), касающиеся использования материалов дистанционного зондирования Земли (ДЗЗ) при решении задач государственного мониторинга земель сельскохозяйственного назначения. Рассмотрены перспективы использования данных ДЗЗ для решения задач Минсельхоза России.
РАСЧЕТ ТЕМПЕРАТУРНОГО РЕЖИМА ПОЧВЫ С ВЕРХНИМ ГРАНИЧНЫМ УСЛОВИЕМ НА ОСНОВЕ ДАННЫХ ДИСТАНЦИОННОГО ЗОНДИРОВАНИЯ
Authors: Шеин Е.В. , Болотов А.Г.
Published: August 2024

В статье предложен расчет температурного режима почвы с верхним граничным условием на основе данных дистанционного зондирования, полученных в результате спутниковой съемки. Установлено, что расчетные температуры близки по значениям к экспериментальным данным. Предложенный подход можно рекомендовать для послойного прогнозирования температуры в почвенном профиле.
ОЦЕНКА ПРОДУКТИВНОСТИ ПОСЕВОВ РИСА С ИСПОЛЬЗОВАНИЕМ ОПТИКО-БИОЛОГИЧЕСКИХ СВОЙСТВ РАСТЕНИЙ
Authors: Чижиков В.Н. , Шарифуллин Р.С.
Published: August 2024

На основе данных наземных измерений состояния растений риса при помощи технических устройств предложен новый способ дифференцированного внесения минеральных удобрений с использованием вегетационного индекса. Новая технология внесения минеральных удобрений позволит осуществлять корректировку доз азотной подкормки и прогнозировать биологическую урожайность, что обеспечит повышение рентабельности производства и снижение экологической нагрузки. Повышение дозы азота от 60 до 150 кг/га привело к увеличению значения вегетационного индекса в фазу кущения от 0,56 до 0,75 (на 33,9%). Внесение возрастающих доз минеральных удобрений способствовало повышению содержания азота, фосфора и калия в растениях в фазу кущения до 3,84; 1,43 и 0,87% соответственно. Между дозой азота и показателями урожайности установлена прямолинейная связь с высоким коэффициентом корреляции (r = 0,76 ± 0,17). Ключевые слова: растение, удобрение, дифференциация доз, прогноз урожая.
СОВМЕСТНЫЙ ОПЕРАТИВНЫЙ АНАЛИЗ СТАНЦИОННЫХ И СПУТНИКОВЫХ ДАННЫХ О ВЛАГОЗАПАСЕ ПОЧВЫ
Authors: Быков Ф.Л. , Василенко Е.В. , Гордин В.А. , Тарасова Л.Л.
Published: August 2024

Изучены пространственные корреляции станционных данных измерений запасов продуктивной влаги в пахотном и 10-сантиметровом слоях почвы и спутниковых данных об относительной влажности верхнего слоя почвы (ИСЗ MetOp-А и В, скаттерометр ASCAT) по европейской территории России. Для этого в тестовом режиме использовалась версия компьютерной технологии, при помощи которой осуществлялся контроль станционных данных, а затем выполнялся объективный анализ.
Photocatalytic degradation of bacterial lipopolysaccharides by peptide-coated TiO2 nanoparticles
Authors: Caselli Lucrezia , Du Guanqun , Micciulla Samantha , Traini Tanja , Sebastiani Federica , Guldsmed Diedrichsen Ragna , Köhler Sebastian , W. A. Skoda Maximilian , van der Plas Mariena J.A. , Malmsten Martin
Published: August 2024

In the present study, we investigated the degradation of both smooth and rough lipopolysaccharides from Gram-negative (LPS) and lipoteichoic acid from Gram-positive (LTA) bacteria by peptide-coated TiO2 nanoparticles (TiO2 NPs). While bare TiO2 NPs displayed minor binding to both LPS and LTA, coating TiO2 NPs with the antimicrobial peptide LL-37 dramatically increased binding to LPS and LTA, decorating these uniformly. Importantly, peptide coating did not suppress reactive oxygen species generation of TiO2 NPs, hence UV illumination triggered pronounced degradation of LPS and LTA by peptide-coated TiO2 NPs. Structural aspects of oxidative degradation were investigated by neutron reflectometry for smooth LPS, showing that degradation occurred preferentially in its outer O-antigen tails. Furthermore, cryo-TEM and light scattering showed lipopolysaccharide fragments resulting from degradation to be captured by the NP/LPS co-aggregates. The ability of LL-37-TiO2 NPs to capture and degrade LPS and LTA was demonstrated to be of importance for their ability to suppress lipopolysaccharide-induced activation in human monocytes at simultaneously low toxicity. Together, these results suggest that peptide-coated photocatalytic NPs offer opportunities for confinement of infection and inflammation.
Influence of hole transport and thermal reactions in photo-driven water oxidation kinetics on crystalline TiO2
Authors: Wang Pan , Benitez Gabriel , Houle Frances
Published: August 2024

The requirement that photogenerated holes accumulate to drive the rate limiting step is thought to cause slow water oxidation by TiO2 to form O2, however detailed kinetics studies that directly establish the connection between photoabsorption and surface reactions have not been reported. In this work, we use physically realistic kinetics models of photo-driven water oxidation on TiO2 to evaluate how hole generation, bulk diffusion, surface mobility and reaction are coupled. The calculations show that hole formation and diffusion in the bulk crystal dominate O2 formation at low intensity, resulting in an apparent high order dependence of the O2 production rate on holes. As intensity increases, the water splitting reaction becomes nearly independent of it because of a buildup of intermediates that can only react thermally. Although it is believed that high hole mobility is a requirement for hole accumulation, a comparison of predicted to observed surface species indicates that immobilized holes dominate surface reactivity. The primary surface reaction sites are predicted to involve oxygen atoms that bridge two Ti atoms, supplied with OH formed by water dissociation on Ti sites. Because of the similarity among photocatalytic water oxidation mechanisms on diverse metal oxide semiconductors, which have generally low hole mobilities, the findings from this work may be relevant to them as well. If so, manipulations of hole mobility and accelerating the rate of thermal steps may provide a general pathway for improving water oxidation efficiency.
Individual Marcus-type kinetics controls singlet and triplet oxygen evolution from superoxide
Authors: Mondal Soumyadip , Nguyen Huyen T.K. , Hauschild Robert , Freunberger Stefan
Published: August 2024

Oxygen evolution from superoxide is a critical aspect of oxygen redox chemistry. However, the factors determining the formation of often harmful singlet oxygen are unclear. Here, we report that the release of triplet or singlet oxygen is governed by individual Marcus normal and inverted region behavior. Using a wide range of chemical oxidants, we found that as the driving force increases, the initially dominant evolution of triplet oxygen slows down, and singlet oxygen evolution becomes predominant with higher maximum kinetics. This behavior also applies to superoxide disproportionation, the oxidation of one superoxide by another, in both non-aqueous and aqueous systems, where Lewis and Brønsted acidity control driving forces. Our findings suggest ways to understand and control spin states and kinetics in oxygen redox chemistry.
Techno-economic Analysis and Optimization of Water-Gas Shift Membrane Reactors for Blue Hydrogen Production
Authors: Agi Damian T. , Hawa Hani A.E. , Dowling Alexander W. , Hawley Kyle
Published: August 2024

Hydrogen (H2) is an important energy carrier for transitioning into a decarbonized economy. H2-producing membrane reactors (MRs), such as those used for fuel reforming or water-gas shift reactions, can enable low-cost blue H2 production from a variety of feedstocks, e.g., biomass, coal, or natural gas. This is a consequence of the enhanced feed utilization for the MR (i.e., kg·H2 produced per kg feed) compared to conventional multi-step H2 generation/purification schemes. Furthermore, H2 MRs simultaneously separate H2 and concentrate CO2, thereby increasing the overall process efficiency and facilitating pre-combustion carbon capture. This work describes an equation-oriented, technoeconomic optimization model for a water-gas shift membrane reactor (WGS-MR) integrated within a gasification process scheme with carbon capture to produce blue H2. We find using WGS-MRs, the levelized cost of H2 (LCOH) with carbon capture was estimated to decrease by ∼10% from $3.33 kg·H2−1 to $3.01 kg·H2−1 (2016 USD), compared to the baseline LCOH using conventional WGS reactors and pressure swing adsorption (PSA). Sensitivity analysis elucidates the influence of operating conditions (e.g., temperature, pressure, space velocity) on performance (i.e., CO conversion, H2 recovery) and identifies opportunities to further reduce the LCOH below $3 kg·H2−1. This study provides a blueprint for applying MRs in blue H2 production and motivates further studies on the optimal integration of these.
A Divergent Synthesis of Numerous Pyrroloiminoquinone Alkaloids Identifies Promising Antiprotozoal Agents
Authors: Barnes Griffin , Magann Nicholas , Perrotta Daniele , Hörmann Fabian , Fernandez Sebastian , Vydyam Pratap , Choi Jae-Yeon , Prudhomme Jacques , Neal Armund , Le Roch Karine , Ben Mamoun Choukri , Vanderwal Christopher
Published: August 2024

On the basis of a streamlined route to the pyrroloiminoquinone (PIQ) core, we made 16 natural products spread across four classes of biosynthetically related alkaloid natural products, and multiple structural analogues, all in ≤8 steps longest linear sequence (LLS). The strategy features a Larock indole synthesis as the key operation in a five-step synthesis of a key methoxy-PIQ intermediate. Critically, this compound was readily diverged via selective methylation of either (or both) of the imine-like or the pyrrole nitrogens, which then permitted further divergence by either O-demethylation to o-quinone natural products or displacement of the methoxy group with a range of amine nucleophiles. Based on a single, early report of their potential utility against the malaria parasite, we assayed these com-pounds against several strains of Plasmodium falciparum, as well as two species of the related protozoan parasite Babesia. In combination with evaluations of their human cytotoxicity, we identified several compounds with potent (low-nM IC50) antimalarial and antibabesial activities that are much less toxic toward mammalian cells and therefore are promising lead compounds for antiprotozoal drug discovery.
X-ray Spectroscopy Characterization of Electronic Structure and Metal-Metal Bonding in Dicobalt Complexes
Authors: Asundi Arun , Bienenmann Roel , Broere Daniel , Sarangi Ritimukta
Published: August 2024

Developing multimetallic complexes with tunable metal-metal interactions has long been a target of synthetic inorganic chemistry efforts, due to the unique and desirable properties that such compounds can exhibit. However, understanding the relationship between metal-metal bonding and chemical properties in multimetallic compounds has been challenging due to system-dependent factors that can influence metal-metal and metal-ligand interactions including ligand identity, coordination geometry, and metal-metal distance. Moreover, experimental investigations often provide only indirect information about metal-metal bonding while direct experimental insight into orbital overlap is lacking. In this work we apply a combination of X-ray absorption and emission spectroscopy and quantum chemical calculations to describe the electronic structure and bonding properties in a series of dicobalt complexes supported by expanded pincer PNNP ligands. In the compounds with a pseudo-octahedral coordination geometry, a single Co-Co σ-bond forms, for which we directly characterize both the σ-bonding and σ*-antibonding molecular orbitals via their strong contributions to the Co K-edge X-ray emission and absorption spectra, respectively. In contrast, the dicobalt complexes with a pseudo-tetrahedral coordination environment do not exhibit Co-Co bonding, due to symmetry constraints on orbital overlap and the 3d orbital occupancies of Co(II) ions in a tetrahedral ligand field. We extend the spectroscopically-driven insights into Co-Co bonding to diiron(II) (d6) complexes to develop conditions necessary for metal-metal σ-bonding to occur. We show that strong overlap of atomic orbitals with appropriate symmetry (e in tetrahedral ligand field, eg in octahedral ligand field) is a necessary condition for metal-metal σ-bonding to occur. Finally, we demonstrate how the orbital overlap arguments can be applied to related dicobalt complexes to resolve uncertainties regarding the presence or absence of a Co-Co bond in these species. This work highlights how fundamental insights into electronic structure and bonding through X-ray spectroscopy uncover important factors governing metal-metal interactions and guide the rational design of multimetallic complexes with tunable metal-metal bonds.
Integrating Machine Learning and Large Language Models to Advance Wu Exploration of Electrochemical Reactions
Authors: Zheng Zhiling , Florit Federico , Jin Brooke , Wu Haoyang , Li Shih-Cheng , Nandiwale Kakasaheb Y. , Salazar Chase A. , Mustakis Jason G. , Green William H. , Jensen Klavs F
Published: August 2024

Electrochemical C-H oxidation reactions offer a sustainable route to functionalize hydrocarbons, yet the identification of competent substrates and their synthesis optimization remains challenging. Here, we report an integrated approach combining machine learning (ML) and large language models (LLMs) to streamline the exploration of electrochemical C-H oxidation reactions. Utilizing a batch rapid screening electrochemical platform, we evaluated a wide range of reactions, initially classifying substrates by their reactivity, while LLMs text-mined literature data to augment the training set. The resulting ML models, one for reactivity prediction and the other one for site selectivity, both achieved high accuracy (>90%) and enabled virtual screening of a large set of commercially available molecules. To optimize reaction conditions of substrates of interest upon the screening, LLMs were prompted to generate code to iteratively improve yield, lowering the barrier for scientists to access ML programs, and this strategy efficiently identified high-yield conditions for eight drug-like substances or intermediates. Notably, we benchmarked the accuracy and reliability of 10 different LLMs, including llama, Claude, and GPT-4, on generating and executing codes related to ML based on natural language prompts given by chemists to showcase their tool-making and tool-using capabilities and potentials for accelerating research across four diverse tasks. In addition, we collected an experimental benchmark dataset comprising 1071 reaction conditions and yields for electrochemical C-H oxidation reactions, and our findings revealed that integrating LLMs and ML outperformed using either method alone. We envision that this combined approach offers a robust and generalizable pathway for advancing synthetic chemistry research
Integrating Machine Learning and Large Language Models to Advance Exploration of Electrochemical Reactions
Authors: Zheng Zhiling , Florit Federico , Jin Brooke , Wu Haoyang , Li Shih-Cheng , Nandiwale Kakasaheb Y. , Salazar Chase A. , Mustakis Jason G. , Green William H. , Jensen Klavs F
Published: August 2024

Electrochemical C-H oxidation reactions offer a sustainable route to functionalize hydrocarbons, yet the identification of competent substrates and their synthesis optimization remains challenging. Here, we report an integrated approach combining machine learning (ML) and large language models (LLMs) to streamline the exploration of electrochemical C-H oxidation reactions. Utilizing a batch rapid screening electrochemical platform, we evaluated a wide range of reactions, initially classifying substrates by their reactivity, while LLMs text-mined literature data to augment the training set. The resulting ML models, one for reactivity prediction and the other one for site selectivity, both achieved high accuracy (>90%) and enabled virtual screening of a large set of commercially available molecules. To optimize reaction conditions of substrates of interest upon the screening, LLMs were prompted to generate code to iteratively improve yield, lowering the barrier for scientists to access ML programs, and this strategy efficiently identified high-yield conditions for eight drug-like substances or intermediates. Notably, we benchmarked the accuracy and reliability of 10 different LLMs, including llama, Claude, and GPT-4, on generating and executing codes related to ML based on natural language prompts given by chemists to showcase their tool-making and tool-using capabilities and potentials for accelerating research across four diverse tasks. In addition, we collected an experimental benchmark dataset comprising 1071 reaction conditions and yields for electrochemical C-H oxidation reactions, and our findings revealed that integrating LLMs and ML outperformed using either method alone. We envision that this combined approach offers a robust and generalizable pathway for advancing synthetic chemistry research
Sustainable and Surfactant-Free Synthesis of Negatively Charged Acrylamide Nanogels for Biomedical Applications
Authors: Mazzali Davide , Rath Gabriela , Röntgen Alexander , Roy Chowdhury Vaidehi , Vendruscolo Michele , Resmini Marina
Published: August 2024

Nanogels offer unique advantages, like high surface-to-volume ratio, scalable synthetic methods and easily tailored formulations, that allow to control size and introduce stimuli-responsive properties. Their potential for drug delivery is significant due to their biocompatibility, high drug loading capacity, and controlled and sustained drug release, but the development of greener and sustainable processes, in particular the replacement of organic solvents with water, is essential for large-scale applications. Here we report our results on the synthesis in water of covalently crosslinked acrylamide-based nanogels, both neutral and negatively charged, with varying amounts of acryloyl-L-proline, using a high-dilution radical polymerization technique without the need for surfactants. The use of a water-based synthesis resulted in nanogels with high monomer conversions and chemical yields, as well as lower polydispersity and smaller particle sizes for the negatively charged nanogels. This results in a more efficient synthetic methodology, with reduced loss of starting materials, higher potential for scalability and reduction in costs. The suitability of these nanogels for biomedical applications was supported by cytotoxicity studies showing no significant reduction in viability on a human neuroblastoma cell line.
LMM Spectrometric Determination of an Organic Compound
Authors: Kawchak Kevin
Published: August 2024

Many machine learning models used in academia and industry that identify organic compounds typically lack the ability to converse over prompts and results, and also require expertise across a number of steps to obtain answers. The purpose of this study was primarily to gain insight into the advantages of current unmodified state of the art Large Multimodal Models (LMMs) across several prompts containing multiple spectra of varying difficulty to evaluate the impact of training data, reasoning, and speed. These readily available and easy to use software for the identification of an organic compound based on a molecular formula and spectra were found to be reproducible across three similar LMMs. To the author's best knowledge, this marks the first time that three GPT variants were each able to correctly identify the organic compound quinoline using a variety of different spectroscopic images. The results were obtained using a 2-step process consisting of a) Uploading high resolution spectral images, and b) Submitting a text prompt with the images that requested a compound determination. The main findings were that 1) Four LMMs provided rationale step-by-step interpretations of 1H-NMR, 13C-NMR, and 3 DEPT-NMR spectra from Prompt A, 2) Three of these LMMs, led by a GPT-5 preview model, combined these interpretations into the correct chemical structure with Prompt A, and 3) Two of these LMMs achieved a top score of 5/5 for also generating sequential explanations reflecting the order of the provided spectra along with most of the correct spectral and molecular formula explanations.
CUSTOM INDIKATOR PELACAK POLA REVERSAL CANDLESTICK PADA METATRADER 4 MENGGUNAKAN BAHASA PEMROGRAMAN METAQUOTE LANGUAGE 4
Authors: Adhiwibowo Whisnumurti , As  ari Ali
Published: August 2024

Kegiatan transaksi pada pasar keuangan terdapat berbagai cara untuk menganalisa dan memprediksi tren atau pergerakan harga dari instrumen keuangan. Salah satu cara menganalisa pergerakan harga dengan mempelajari pola candlestick pembalikan arah tren. Kendala yang dihadapi pada saat menganalisa menggunakan pola candlestick pembalikan arah adalah banyaknya pola dan aturan yang dimiliki untuk menentukan suatu pola pembalikan arah tren pada candlestick. Oleh sebab itu dibutuhkan sebuah alat atau indikator yang dapat menganalisa dan memberikan informasi pola pembalikan arah tren pada candlestick. Dalam menangani masalah tersebut, penulis menggunakan metode pengembangan sistem model waterfall dengan tahapan meliputi analisa, desain, pengodean dan pengujian. Serta penulis berusaha mengumpulkan data-data yang berkaitan agar dapat digunakan sebagai landasan dasar dalam membangun aplikasi indikator berbasis bahasa pemrograman MetaQuote Language 4. Tujuan dari penelitian ini adalah mendesain, merancang dan membuat sebuah custom indikator pada MetaTrader 4 yang dapat menganalisa pola candlestick pembalikan arah trend. Hasil dari penelitian ini adalah sebuah indikator yang bisa melacak pola candlestick pembalikan dan menampilkan informasi pola candlestick pembalikan arah tren yang ditemukan untuk digunakan sebagai acuan analisa transaksi pada pasar keuangan.
Rancang Bangun Sistem Deteksi Masker dan Suhu Badan Sebagai Prasyarat Absensi Berbasis Internet of things
Authors: Kadiran Sri Anggraeni
Published: August 2024

The mask and body temperature detection system for public places is still operated manually. The system was found not to adjust to the conditions of office employees, which required them to always be on guard and check the body temperature of every employee who would enter the office. Therefore, a mask and body temperature detection system was designed as a prerequisite for internet of things-based attendance that can make it easier for office employees to check the body temperature of everyone who will work, and so that employees can be disciplined in time. This system requires a temperaturesensor to detect the body temperature of people who will enter. A person's body temperature is said to be normal if it is lessthan 37.20C. If the temperature exceeds 37.20 C, then a person cannot take attendance. In addition to having a normal body temperature, the second requirement must be met, namely passing mask detection. Someone must wear a mask before entering the room, before taking attendance using a fingerprint. Arduino Uno will send data from the temperature sensor to the database and a 16x2 LCD, so that the system can be connected to the web which can be monitored by the administrator to get data on the number of office employees based on body temperature. In addition, a Raspberry Pi is used which will senddata from the webcam as a result of the mask detection image processing. The results of this final project indicate that the data sent to the web is in accordance with the data based on testing tools.
EXPLORANDO A MATERIALIDADE NOS RELATÓRIOS DE SUSTENTABILIDADE: A RETÓRICA E A PRÁTICA DAS ESTRATÉGIAS ESG
Authors: Dutra Franco Brenda , Da Rosa Pinheiro Caroline
Published: August 2024

Este artigo aborda a importância da compreensão da materialidade nas estratégias ESG (Ambiental, Social e Governança Corporativa), visando analisar suas dimensões essenciais e implicações práticas. O estudo visa, primeiramente, realizar uma análise do conceito de materialidade e sua evolução para a implementação de estratégias ESG, seguida da aplicação da dupla materialidade e de como essas questões são implementadas em documentos de governança corporativa, como os relatórios de sustentabilidade. A pesquisa se justifica pela necessidade de preencher lacuna no conhecimento teórico acerca da materialidade nas estratégias ESG, especialmente em sua relação com os relatórios de sustentabilidade. A metodologia adotada consistirá em revisão sistemática da literatura, abrangendo artigos acadêmicos, relatórios de sustentabilidade e documentos normativos relacionados aos temas abordados. As hipóteses formuladas estão voltadas para solução dos problemas relacionados à materialidade dos relatórios de sustentabilidade e visam, ainda, identificar tendências, lacunas e oportunidades de pesquisa sobre governança nesse contexto. O objetivo final é contribuir para uma implementação da materialidade de maneira mais eficaz e alinhada às práticas ESG considerando o incremento dos instrumentos de governança como aspecto a ser considerado pelo mercado e seus reguladores.
EUTANÁSIA NA AMÉRICA DO SUL: UMA ANÁLISE SOBRE OS CASOS DA COLÔMBIA E DO EQUADOR
Authors: Zilio Daniela
Published: August 2024

O objetivo geral do presente estudo é analisar a descriminalização da eutanásia na Colômbia e no Equador. Neste norte, os objetivos específicos são: conhecer do que se trata a eutanásia; compreender a descriminalização da eutanásia na Colômbia; e entender a descriminalização da eutanásia no Equador. Como resultado da pesquisa, tem-se que, tanto na Colômbia quanto no Equador a descriminalização da eutanásia ocorreu por decisões judiciais. Na Colômbia, após uma decisão em 1997 e outra em 2014, da Corte Constitucional colombiana, com uma derradeira medida administrativa do Ministério da Saúde e Proteção Social no ano de 2015. No Equador, após a decisão da Corte Constitucional equatoriana, que ocorreu recentemente, em fevereiro de 2024. Em tais países, o direito de morrer dignamente ganha uma nova forma, qual seja, a possibilidade de antecipação da morte por meio da realização da eutanásia que, frise-se, não fere o direito à vida, mas traduz a imprescindibilidade da existência de uma vida digna. O estudo segue o método de pesquisa dedutivo e a técnica de pesquisa é a documentação indireta. A pesquisa é qualitativa.
FLEXIBILIZAÇÃO E RISCOS NA NOVA LEI DE LICITAÇÕES: ANÁLISE DOS MODOS DE DIÁLOGO E A CAPTURA DOS AGENTES PÚBLICOS
Authors: Neto André Martins Pereira , Pereira Maria Marconiete Fernandes
Published: August 2024

A reforma trazida pela Lei 14.133/2021 no cenário das contratações públicas brasileiras destaca-se por sua abordagem inovadora e flexível, substituindo procedimentos formalísticos por práticas que incentivam a interação estratégica entre o setor público e o privado. Esta interação visa promover a eficiência, a eficácia, a inovação e a competitividade dentro das contratações públicas, aderindo aos princípios de eficiência e intenção de regular o mercado. O presente artigo foca nos riscos associados a esta flexibilização, particularmente a possível captura de agentes públicos por interesses privados através dos novos modos de diálogo, como o diálogo competitivo e o Procedimento de Manifestação de Interesse (PMI). Essas inovações, embora promissoras na teoria, exigem um monitoramento rigoroso e a implementação de medidas de salvaguarda para prevenir a corrupção e assegurar processos transparentes e justos. A lei propõe um avanço significativo ao permitir formas de comunicação que anteriormente eram restritas, possibilitando uma escolha mais informada e eficiente nas contratações públicas. No entanto, a eficácia dessas modalidades depende de uma implementação cuidadosa, acompanhada de políticas claras e robustas de governança, formação continuada dos agentes públicos e um comprometimento com a integridade tanto do setor público quanto do privado. Assim, a Lei 14.133/2021 representa um passo importante na modernização das contratações públicas, mas seu sucesso dependerá da capacidade de navegar pelos desafios apresentados, especialmente no que tange à manutenção da integridade e transparência nos processos de contratação pública. A pesquisa utiliza uma abordagem dedutiva qualitativa, com base em pesquisa documental e bibliográfica para atingir seus objetivos
QUALIFICANDO A LEGISLAÇÃO: A ATUAÇÃO ESTRATÉGICA DA ADVOCACIA PÚBLICA NA ELABORAÇÃO DE NORMAS
Authors: PEREIRA SERGIO LAGUNA
Published: August 2024

Este trabalho analisa o impacto e a importância da atuação da Advocacia Pública no aprimoramento da produção legislativa, vital para a efetivação das políticas públicas. Através de uma revisão bibliográfica e empregando o método indutivo, a pesquisa explora a transformação necessária no papel dos advogados públicos, sugerindo um envolvimento mais direto e significativo na criação de legislações. Inicialmente, discute-se o papel fundamental da Advocacia Pública e sua interação com o processo legislativo, enfatizando suas responsabilidades institucionais. Em seguida, a análise se volta para a prática da avaliação de impacto normativo, enfatizando a importância de antecipar as implicações legais e sociais das normas. Finalmente, são propostas estratégias para aperfeiçoar o procedimento administrativo legislativo, destacando a importância da cooperação interdisciplinar e da inclusão da sociedade civil, visando um processo legislativo mais eficaz e inclusivo. Este estudo destaca a necessidade de uma redefinição do papel da Advocacia Pública, posicionando-a como peça-chave no processo de elaboração normativa, garantindo legislações mais justas e alinhadas com as necessidades sociais.
A exigência da Certidão de Uso e Ocupação do Solo no processo de licenciamento ambiental
Authors: Da Costa Mateus Stallivieri , Guerra Luiza , Massadas Julia
Published: August 2024

A Lei Federal 13.874/2019, conhecida como Declaração de Direitos da Liberdade Econômica, determinou a impossibilidade de a Administração Pública exigir certidões não previstas em lei, incidindo tanto na esfera da União, como nos estados e municípios. O objetivo do presente artigo é investigar os impactos dessa nova previsão nos processos de licenciamento ambiental, em especial no tocante a obrigação de apresentar o documento intitulado Certidão de Uso e Ocupação do Solo. Buscou-se compreender se a recepção dos entes federativos à alteração legislativa garantiu uma uniformização do entendimento, aplicando a disposição da Declaração de Direitos da Liberdade Econômica. O artigo utilizou para a investigação o método dedutivo, possuindo natureza qualitativa e descritiva, sendo formulado com o uso da metodologia de revisão bibliográfica. Como conclusão, foram identificadas diferentes reações dos entes federativos à previsão da Lei Federal 13.874/2019, existindo exemplos em que foi mantida a exigência da Certidão de Uso e Ocupação do Solo e outros em que ela foi retirada, não existindo, por hora, uniformidade de entendimento.
O PATRIMÔNIO CULTURAL DA HUMANIDADE NA ERA DIGITAL: INTERFACES ENTRE DIREITOS DA PERSONALIDADE E NOVAS TECNOLOGIAS DE INFORMAÇÃO E COMUNICAÇÃO
Authors: Schmitt Sandri Jussara , Kutne Armelin Priscila
Published: August 2024

Este artigo examina o papel das novas tecnologias de informação e comunicação como forma de promoção de acesso ao patrimônio cultural da humanidade. Inicialmente, discute-se a proteção jurídica do patrimônio cultural e sua importância na preservação da identidade e memória coletiva dos povos, destacando sua interseção com os direitos da personalidade. Em seguida, são analisadas as novas tecnologias de informação e comunicação e seu impacto na sociedade da informação e do conhecimento, ressaltando sua capacidade de ampliar o acesso à informação e promover interações globais. Por fim, o artigo aborda como essas novas tecnologias de informação e comunicação têm facilitado o acesso remoto ao patrimônio cultural da humanidade, destacando a importância de estratégias que promovam a interatividade e a colaboração na disseminação desse patrimônio. A metodologia envolve uma revisão bibliográfica e análise documental para investigar a proteção jurídica do patrimônio cultural e sua importância na preservação da identidade e memória coletiva, bem como o impacto das novas tecnologias na sociedade da informação e do conhecimento.
POLÍTICAS DE GESTÃO DE RECURSOS HÍDRICOS: UMA ANÁLISE SOBRE O ESTÁGIO ATUAL DA IMPLEMENTAÇÃO DA COBRANÇA PELO USO DA ÁGUA NAS BACIAS HIDROGRÁFICAS DO RIO GRANDE DO SUL.
Authors: Wienke Felipe Franz , Costa Jéssica Tavares Fraga
Published: August 2024

No presente artigo, aborda-se a gestão dos recursos hídricos, enfatizando a urgente necessidade de práticas sustentáveis frente aos desafios na preservação hídrica. A relevância desta pesquisa reside na crítica situação hídrica, agravada por práticas de gestão inadequadas e pela falta de implementação efetiva de políticas públicas. Propõe-se nesta investigação, averiguar o atual estágio de operacionalização do instrumento de cobrança pelo uso da água nas Bacias Hidrográficas do Estado do Rio Grande do Sul. Trata-se de instrumento de natureza econômica prevista na Política Nacional de Recursos Hídricos que concretiza o princípio do usuário pagador. Como hipótese de pesquisa, sugere-se que os Comitês de Bacia apresentam dificuldades administrativas e políticas para aprovação da cobrança em seus respectivos colegiados. Utilizando-se de um método indutivo, a partir da análise das informações de cada comitê de Bacia Hidrográfica, a pesquisa se utilizou das técnicas de revisão bibliográfica, bem como da análise de documentos e relatórios técnicos dos Comitês, disponibilizados no site da Secretaria Estadual de Meio Ambiente do Rio Grande do Sul.
A APLICAÇÃO DA GUARDA UNILATERAL NOS CASOS DE VIOLÊNCIA DOMÉSTICA PELA LEI Nº 14.713/2023
Authors: Fagundes Lente Tainá , Canela Kelly Cristina , Bonissato Frattari Marina
Published: August 2024

A guarda é um instituto compreendido como uma das atribuições do poder familiar. Tem por definição o dever de assistência dos pais na criação dos filhos, abarcando um conjunto de decisões legais e morais. A legislação brasileira propõe diferentes modalidades de guarda; todavia, privilegia a guarda compartilhada (exercida pelos dois genitores), pois considera que ela atende o melhor interesse da criança. Contudo, em 2023 foi aprovada a Lei nº 14.713, que alterou o art. 1.584, §2º do Código Civil e adicionou o art. 699-A ao Código de Processo Civil, estabelecendo a aplicação da guarda unilateral (exercida por somente um dos pais) nos casos de violência doméstica e familiar. Assim, o objetivo é analisar dúvidas decorrentes da nova lei: a qual vítima de violência se refere? A audiência de conciliação ou mediação é o momento adequado para alegação? E qual conjunto probatório ela exige? Como resultado, conclui-se que a norma se aplica nos casos de violência contra o filho e/ou algum de seus genitores. Ainda, a audiência de conciliação e mediação não aparenta ser o momento mais eficiente para alegação, pois situações de violência doméstica, majoritariamente, não admitem autocomposição. Finalmente, recomenda-se prudência quanto às provas exigidas para comprovação da violência, sendo de importância um conjunto de provas interdisciplinar, a exemplo dos estudos psicológicos e sociais. A metodologia adotada no trabalho foi dedutiva, baseando-se também em pesquisa bibliográfica.
Research on the Integration and Innovation Development of Digital Empowered Lifelong Education under the Background of Informatization
Authors: Xu Wenjuan , Zhou Xin
Published: August 2024

Under the impetus of the wave of informatization, lifelong education has ushered in unprecedented development opportunities. Firstly, digital technology has broken educational resources’ temporal and spatial limitations, achieved global resource sharing and provided learners with a broader learning space. Secondly, personalized learning models have emerged with the support of information technology, meeting the diverse learning needs of learners and improving learning outcomes. Finally, cross-border integration and innovative development have become important trends in lifelong education, promoting innovation and development of education models through integration with different industries and the application of emerging technologies. This study analyzes the current development status, challenges and future trends of lifelong education under the background of informatization and proposes corresponding strategies and suggestions to promote the sustainable development and innovation of lifelong education.