bluuebunny/crossref_metadata_2025 huggingface dataset:
Growth of Endophytic Bacteria from Klutuk Banana Plant (Musa balbisiana Colla) with Inoculation Trial on Rice Plants (Oryza sativa)
Authors: Anggun Dwi Nur Annisa  , Triastuti Rahayu  , Yasir Sidiq
Published: January 2024

Four potential bacteria have been isolated from Klutuk banana plant. They exhibited IAA production. Since the bacterial inoculation to plant should be performed in exponential phase of bacterial growth, information of the growth is crucial. This study aimed to analyze the growth rate of eight isolates and examine the effect of bacterial inoculation by initial trial on rice plants. For this purpose, four endophytic bacteria from Klutuk banana were cultured and examined using 600nm spectrophotometer. The growth of the isolates was calculated every two hours for 16 hours bacterial growth in the nutrient broth medium. The inoculation trial of bacteria to rice plants was conducted with three replicates. This inoculation was begun by germinating the rice seed and the radicle was observed. Then, the germinated rice seedlings were soaked in the bacterial suspension for 5 minutes in room temperature. The results showed that the exponential phase of all isolates was observed 6 hours after shaking. Inoculation using 6-hour-incubated K7 isolate significantly improved the length of root of rice plants. Additionally, this isolate improved the number of root and shoot length without significant difference. Thus, these results provide important information of the growth phase and inoculation effect new isolated endophytic and rhizosphere bacteria.
Antibacterial Effectiveness Test of Ethanol Extract of Gadung Mango Leaves Against Staphylococcus aureus and Escherichia coli Bacteria
Authors: Indira Pipit Miranti  , Vivin Andriani
Published: January 2024

Infection is a disease that often occurs in Indonesia. This disease is caused by pathogenic microbes, one of which is bacteria. Staphylococcus aureus and Escherichia coli are bacteria that cause infection. Pharmacological therapy for bacterial infections used to use antibiotics, currently tends to use drugs that come from nature. One of the plants that has the potential as an antibacterial is gadung mango leaves. This study aims to determine the effectiveness of mango leaf ethanol extract against S.aureus and E.coli bacteria. The method used was well diffusion with concentrations of ethanol extract of mango leaves 0.5% (S1), 0.75% (S2), 1% (S3), streptomycin (K+), and ethanol (K-), respectively treatment was repeated 5 times. Data that can be analyzed using One Way ANOVA with a significant level of 0.05. Based on the results of the antibacterial extract of ethanol extract of mango gadung leaves, it has the potential to be better on E. coli bacteria, namely at a concentration of 1% (S3) of 16.05 mm, whereas on S.aureus K+ bacteria (Streptomycin) it is better on control + of 15.9 mm.
Effectiveness of Ethanol Gel and Essential Oil of Kencur Rhizome (Kaempferia galanga L.) base Karbopol against Propionibacterium acnes
Authors: Rahayu Samalo  , Tri Gunaedi  , Dirk Y.P. Runtuboi
Published: January 2024

Kencur rhizome (Kaempferia galanga L.) is an aromatic herbal plant as antibacterial and anti-inflammatory. This study aims to determine the physical quality and effectiveness of gel preparations of ethanol extract and essential oil of kencur rhizome based on carbopol inhibiting Propionibacterium acnes bacteria. This study used a Randomized Block Design (RAL) with 2 different treatments of 5 levels each, namely ethanol extract gel treatment and essential oil extract gel with concentrations of 10%, 20%, 30%, 40% and 50%. The results of the gel formulation of extracts and essential oils based on carbopol showed pH, texture, spreadability and adhesiveness according to the quality standards of topical preparations. The antibacterial inhibition of the gel was moderate at 50% extract concentration (11.41 mm); and 50% essential oil (9.04 mm). Positive control treatment inhibited growth by 15.84 mm while negative control showed no response. The extract gel and essential oil of galangal rhizome had a significant effect but were less effective in inhibiting P. acnes bacteria. Adding the maximum concentration of extract and essential oil can optimize acne healing.
The logistics channel in the Russian Far East as a key factor in the development of Chinese-Russian trade.
Authors: Xin Xiaodong , Hu Zheng
Published: January 2024

This article explores the significance of the logistics channel in the Russian Far East as a key factor in the development of Sino-Russian trade. The authors analyze the role of this logistics corridor in the context of China-Russia trade relations and identify its impact on the long-term cooperation between the two countries. The study is based on an analysis of statistical data on trade between China and Russia in recent years. The authors also conduct an analysis of Russia's geographical features and its logistics capabilities. Comparative analysis methods are used in the article to assess the influence of the logistics channel on the volume and stability of Sino-Russian trade. The article emphasizes that the logistics channel in the Russian Far East plays a pivotal role in the development of China-Russia trade. It highlights the growth in trade volumes between the two countries and their ambitions to achieve higher levels. However, the author also notes that Russia's current geographical features do not always align with the needs of international trade, and pipeline transport cannot fully replace other logistics channels for bulk commodities. The scientific novelty of this article lies in its recognition of the importance of the logistics aspect in China-Russia trade relations and its call for greater attention to this factor. It also underscores the strategic significance of developing the logistics channel in the Russian Far East for the sustainable and stable growth of Sino-Russian trade in the long term.
Pengaruh Knowlegde, Psychological Empowerment, dan Work Experience Terhadap Kinerja SDM Pada UMKM Batik Tulis Tanjung Bumi
Authors: Baruno Agustiawan , Bharmawan Agus Surya , Hidayat Wahyu
Published: January 2024

Usaha Mikro Kecil dan Menengah merupakan salah satu kelompok usaha yang paling dapat bertahan ketika krisis ekonomi melanda negeri ini. Perkembangan jumlah unit UMKM terus meningkat, tentu akan dapat membuka lapangan pekerjaan yang lebih besar. Namun demikian usaha kecil ini masih dipandang sebagai usaha yang lemah kinerjanya. Untuk mengatasi kinerja agar baik tentunya usaha UMKM membutuhkan pengembangan sumber daya manusia yang berkualitas. Peningkatan kualitas diperlukan terutama dibidang knowledge, psychological empowerment, dan  work experience dalam berwirausaha. Penelitian ini bertujuan untuk menganalisis pengaruh knowledge, psychological empowerment, dan  work  experience terhadap kinerja SDM pada UMKM Batik Tulis Tanjung Bumi. Dalam penelitian ini, peneliti menggunakan metode penelitian  asosiatif dengan hubungan  kausal menggunakan pendekatan  kuantitatif. Dengan populasi sebesar 40 responden dengan pengambilan sampel menggunakan metode sampling  jenuh. Hasil penelitian ini menunjukkan terdapat kontribusi variabel independen terhadap vairabel dependen 70.9%. Dengan menunjukkan uji F variabel knowledge, psychological empowerment, dan work experience dengan hasil F hitung > F tabel yaitu 32,668 > 3,25 yang menjelaskan pengaruh positif dan signifikan terhadap kinerja SDM. Dilakukan uji t variabel knowledge terhadap kinerja SDM dengan hasil t hitung > t tabel yaitu 2,078 > 2,028 dan nilai probability sebesar 0,045 < 0,05, variabel psychological empowerment terhadap kinerja SDM dengan hasil t hitung > t tabel yaitu 3,784 > 2,028 dan nilai probability sebesar 0,001 < 0,05, hal yang sama juga diperoleh variabel work experience terhadap kinerja SDM dimana hasilnya yaitu 3,226 > 2,028 dan nilai probability sebesar 0,003 < 0,05, hal ini menunjukkan bahwa setiap variabel bebas berpengaruh positif dan signifikan terhadap variabel terikat
Surface Structure of Reacting Solid Ramjet Fuels
Authors: Kalman Joseph , Guerra Adrian S. , Karapetian Jack , Patnala Meghanatha Sesha Sai Manohar , Kastengren Alan L.
Published: January 2024

Solid fuel ramjets are a developing technology that will enable extended range for supersonic vehicles. The simplicity of the system in terms of moving parts results in the performance being dictated by the solid fuel combustion processes. The physics near the surface, particularly in the fuel-rich recirculation zone, are challenging to resolve due to flow opacity. Here, regression rate measurements of hydroxyl-terminated polybutadiene from a miniature, portable slab burner are reported. Mass-averaged regression rates agree with correlations from the literature, suggesting that the proper physics in the burner are captured. Synchrotron-based phase-contrast imaging is used to quantify local surface features, including a multiphase froth layer, molten polymer transport, and local regression rate measurements in the recirculation zone. Regression rates near the inlet are less than the mass-averaged values, whereas near the reattachment point the local value exceeds the mass-averaged values. The observed froth layer is as large as 2 mm near the inlet and decreases to sub-millimeter thicknesses near the reattachment point. An analytical heat transfer model is used to quantify the influence of the surface froth layer on the regression rates. Results indicate that the froth layer has an insulating effect and will reduce the local regression rate.
Risk-Aware Markov Decision Process Contingency Management Autonomy for Uncrewed Aircraft Systems
Authors: Sharma Prashin , Kraske Benjamin , Kim Joseph , Laouar Zakariya , Sunberg Zachary , Atkins Ella
Published: January 2024

Uncrewed aircraft systems (UASs) are being increasingly adopted for a variety of applications. The risk UAS poses to people and property must be kept to acceptable levels. This paper proposes risk-aware contingency management autonomy to prevent an accident in the event of component malfunction, specifically propulsion unit failure and/or battery degradation. The proposed autonomy is modeled as a Markov decision process (MDP), whose solution is a contingency management policy that appropriately executes emergency landing, flight termination, or continuation of planned flight actions. Motivated by the potential for errors in fault/failure indicators, the partial observability of the MDP state space is investigated. The performance of optimal policies is analyzed over varying observability conditions in a high-fidelity simulator. Results indicate that both partially observable MDP and maximum a posteriori MDP policies had similar performance over different state observability criteria, given the nearly deterministic state transition model.
Consistent Coupling of Compressibility Effects in Manifold-Based Models for Supersonic Combustion
Authors: Cisneros–Garibay Esteban , Mueller Michael E.
Published: January 2024

Manifold-based models are an efficient modeling framework for turbulent combustion but, in their basic formulation, do not account for the compressibility effects of high-speed flows. To include the effects of compressibility, ad hoc corrections have been proposed but result in an inconsistent thermodynamic state between the manifold and flow simulation. In this work, an iterative algorithm to consistently incorporate compressibility effects into manifold-based models is developed. The manifold inputs (fuel and oxidizer temperatures and pressure) are determined iteratively to reflect the nonnegligible variations in thermodynamic state (expressed in terms of density and internal energy in flow simulations) that are characteristic of supersonic combustion. The algorithm is demonstrated on data from simulations of high-speed reacting mixing layers and is significantly more accurate than established approaches that only partially couple the manifold in compressible flow simulations. The proposed approach eliminates partial coupling approximation errors in excess of 10 and 20% for temperature and water source term.
Harmonic Turbulent Stress Budgets in Forced Transonic Flow over a Bump
Authors: Goffart Nicolas , Tartinville Benoît , Pirozzoli Sergio
Published: January 2024

The transonic flow over a bump is studied using implicit large-eddy simulations. To replicate rotor/stator interactions occurring in turbomachinery, harmonic forcing of the backpressure is imposed at the outlet. Various perturbation frequencies are prescribed and encompass different regimes, from a fully locked configuration to a decoupling between the unperturbed and forced flows. The mean solution is, however, found to be independent of the perturbation. In a triple-decomposition framework, the coherent component of the flow is extracted by phase averaging. Organized structures of streamwise velocity and turbulence kinetic energy are highlighted. Whereas these structures are of similar shapes beneath the shock system, their extent in the downstream boundary layer is controlled by the frequency of the perturbation. The mean and harmonic turbulent stress budgets are presented. A typical three-peak distribution of mean turbulent diffusion is reported, which is also found to appear for coherent turbulent diffusion. Harmonic production arises mainly from the mean shear and its modulation.
Herbs in dentistry
Authors: Yadav Prerna , Tandon Shourya , Khurana Charu , Chopra Meenakshi
Published: January 2024

Herbs have been used for centuries to prevent and control disease. Herbal extracts are effective because they interact with specific chemical receptors within the body and are in pharmacodynamic sense, drugs themselves. Using herbal medicines, patients have averted the many side effects that generally come with traditional medicines, but this does not mean that side effects do not occur. Only knowledgeable practitioners can prescribe the right herb and its proper dosage. Herbal medicines had been considered in every culture; however, pharmaceutical companies overturned this type of thinking. Now, pharmaceuticals are called traditional and herbs are labeled as the “alternative.” The biggest challenge and problem is lack of information about the effect of herbs in oral tissues, mechanism of effect, and side effects. Several popular conventional drugs on the market are derived from herbs. Herbal medicines have dramatically fewer side effects and are safer to use than conventional meditations. The herbs described in this article are used to eliminate various dental diseases such as dental caries, gingival disease, periodontal disease, and mucosal lesions, and a summary of other herbs that are useful in dentistry. Herbs may be good alternatives to current treatments for oral health problems, but it is clear that we need more research.
THE CORRELATIONS BETWEEN THE THYROID STATUS INDICATORS AND THE PARAMETERS OF COMPLETE AND BIOCHEMICAL BLOOD TESTS IN MALES WITH ACUTE INFECTIOUS PULMONARY DESTRUCTION
Authors:   Vitebsk State Order of Peoples’ Friendship Medical University, Vitebsk, Belarus, Yermashkevich S. M. , Petukhov V. I. ,   Vitebsk State Order of Peoples’ Friendship Medical University, Vitebsk, Belarus, Kuntsevich M. U. ,   Vitebsk State Order of Peoples’ Friendship Medical University, Vitebsk, Belarus, Yanholenka V. V. ,   Vitebsk State Order of Peoples’ Friendship Medical University, Vitebsk, Belarus, Yarotskaya N. M. ,   Vitebsk State Order of Peoples’ Friendship Medical University, Vitebsk, Belarus
Published: January 2024

Background. Acute infectious pulmonary destruction (AIPD) is characterized by the presence of a pronounced intoxication syndrome, with the development of anemia, disorders of protein and lipid metabolism as well as other types of metabolism. Thyroid hormones play an important role in regulating metabolic processes in the body. Aim. To study the correlations between the thyroid status indicators and the parameters of complete and biochemical blood tests in males with AIPD. Material and methods. The serum levels of total triiodothyronine, total thyroxine, free thyroxine and thyroidstimulating hormone were measured in 80 males with AIPD and 30 apparently healthy male volunteers. The obtained data were compared with the main indicators of complete and biochemical blood tests. Results. The correlations were found between the thyroid status indicators and parameters of complete and biochemical blood tests in males with AIPD, which are normally absent. Changes in the thyroid hormones levels, hematological and biochemical blood parameters occurred proportionally to each other, and the degree of these changes depended on the severity of the inflammatory reaction. Males with AIPD and euthyroidism or nonthyroidal illness syndrome (NTIS) of types I and V did not differ by total protein (p=0.24) and albumin (p=0.2) levels, which were higher than in primary hypothyroidism and NTIS of type II (p=0.001 and p=0.002). The lowest concentration of total cholesterol was observed in primary hypothyroidism (p=0.013). The low-density lipoprotein levels did not differ in patients with primary hypothyroidism, NTIS of type I and type II (p=0.39) and were lower than in case of euthyroidism and NTIS of type V (p=0.004). Conclusion. In males with AIPD the functional status of the thyroid gland is associated with the severity of inflammation. Thyroid hormones are involved in the pathogenesis of metabolic disorders in AIPD. The types of thyroid function in AIPD are associated with varying degrees of severity of protein and lipid metabolism disorders.
PREDICTION OF ARTERIAL HYPERTENSION DEVELOPMENT IN YOUNG MEN WITH HIGH NORMAL BLOOD PRESSURE
Authors:   Grodno State Medical University, Grodno, Belarus, Zayats A. N. , Shyshko V. I. ,   Grodno State Medical University, Grodno, Belarus
Published: January 2024

High normal blood pressure (HNBP) is known to be associated with an increased risk of arterial hypertension (AH) development. The purpose of the study is to identify predictors of the development of AH in young men with HNBP, to assess their prognostic significance. Materials and methods. From a sample of 50 men aged 18-29 years with registered HNBP, groups were formed: group 1 – 18 patients with AH diagnosed within 10 years, group 2 – 32 patients in whom AH was not diagnosed. Cardiovascular risk factors, indicators of 24-hour blood pressure monitoring, bicycle ergometry, heart rate variability (HRV) during an active orthostatic test, echocardiography, and pulse wave velocity were analyzed. Results. Predictors of the development of AH in young men with HNBP are HRV indicators during active orthostatic test (ΔSDNN, ΔHF) and bicycle ergometry indicators (heart rate (HR) at the end of the physical load, diastolic BP (DBP) at the end of the recovery period). Conclusions. Predictors of the development of AH in young men with HNBP are ΔSDNN and ΔHF during active orthostatic test, HR in peak physical load and the level of DBP in the recovery period of bicycle ergometry (sensitivity – 88.89%, specificity – 93.75%, accuracy – 92.0%). The resulting prognostic model can be used as a method for determining the individual risk of AH development.
URULENT EPIDURITIS COMPLICATED BY SEPSIS AFTER INTRA-ARTICULAR AUTOPLASM INJECTION
Authors:   Grodno State Medical University, Grodno, Belarus, Yakubtsevich R. E. , Protasevich P. P. ,   Grodno State Medical University, Grodno, Belarus, Belyavsky N. V. ,   Grodno State Medical University, Grodno, Belarus, Khopersky P. G. ,   Grodno University Clinic, Grodno, Belarus, Gavina N. L. ,   Grodno University Clinic, Grodno, Belarus, Volkova E. T. ,   Grodno University Clinic, Grodno, Belarus, Karpik V. N. ,   Grodno University Clinic, Grodno, Belarus, Litvinova T. I. ,   Grodno University Clinic, Grodno, Belarus
Published: January 2024

Background. Currently, intra-articular injections of platelet-rich plasma (PRP) are becoming increasingly popular as a technically simple and effective method of osteoarthritis treatment. However, this clinical case would demonstrate that this procedure could lead to severe complications. Purpose of the study. Our aim is to describe a clinical case in which PRP injections led to the development of a generalized infection resulting in purulent polyarthritis, epiduritis and sepsis in a patient with a previous odontogenic infection. Material and methods. Clinical manifestations, results of laboratory and instrumental studies, anamnesis and medical documentation were analyzed. Results. After intra-articular injection of PRP the patient developed purulent polyarthritis and spondylodiscitis resulting in purulent epiduritis and sepsis. The patient was diagnosed with extensive dental caries which had caused transient bacteremia, and then PRP injections helped to the transfer of infection from the blood to the joint cavities. Conclusions. Before undergoing intra-articular PRP injections the patient should be carefully assessed for the presence of infection.
Tools and technique of the asynchronous asyntopic master class for the RFL teachers «Russian language in the mirror of the CHATGPT-4»
Authors: Matukhin P. G. , Petrova M. G. , Shimkovich E. D.
Published: January 2024

To solve the problem of accelerated familiarization and introduction into practice of «weak artificial intelligence» teaching tools in the absence of a theoretical base and ready-made methodological developments, a scheme of an asynchronous asyntopic master class is proposed. The information structure of the lesson is considered, including online communication of participants with the ChatGPT-4 system in the Telegram messenger environment and a basic document on Google drive. The resulting texts include fragments of manuals, blanks of publications, and objects of copyright registration.
Methods for assessing the involvement of communities in managing the development of territorial educational system
Authors: Savvinov V. M.
Published: January 2024

The article presents the characteristics of methods for assessing the involvement of various groups of the local population in the processes of managing the development of territorial systems. The phenomenon of community involvement in educational development management processes is revealed. Based on the analysis of the experience of assessing community engagement in 2020-2023 using surveys, in-depth interviews, data analysis, and studying the subjective opinions of users of social networks, the specifics of various assessment methods are shown.
Verbal representation of the emotional world of heroes: based on the material of the Khakass heroic legend «Албынҷы»
Authors: Chertykova M. D. , Kaksin A. D.
Published: January 2024

The language of the heroic tale is a complex system that encodes information about the national, ideological, cultural foundations of an ethnic group, and is significantly different from the literary and colloquial styles of the modern language. Despite the fact that the texts of heroic tales have always aroused the scientific interest of researchers, their linguistic categories have not yet received sufficient study. The purpose of our article is to identify and describe the linguistic (in particular, verbal) expression of the emotional world of heroes. The material for the functional-semantic analysis was the verbal vocabulary with the meaning of emotion, collected by continuous sampling from the text of the Khakass heroic legend «Албынҷы». According to our information, this folklore monument contains 19 verbs, 3 phraseological units and 1 clichéd expression representing the emotional world of epic characters. The small number of representatives of the emotional world of heroes is compensated by their ambiguity and, accordingly, their ability to cover all the necessary aspects of emotional activity. The work used descriptive (descriptiveanalytical) and functional-semantic research methods. The relevance of our research is due to the insufficient knowledge of the language of Khakass heroic tales, in particular, the verbal sphere from the perspective of the anthropocentric paradigm, as well as the small number of special works on this topic based on the material of other Turkic folklore texts. The novelty of the research is that for the first time, not only in Khakass, but also in other Turkic languages, verbs expressing the emotional experiences of heroes are considered as an irreplaceable and important fragment of the folk-linguistic picture of the world. During the analysis of linguistic material, it was revealed that epic heroes can experience the following emotions: anger, surprise, excitement, fear, compassion, shame, love (more precisely, dislike), suffering, grief, which are expressed by stylistically neutral, frequency verbs. And also the verbal vocabulary with the meaning of crying and laughter stands somewhat apart from them, since its content equally contains emotions and the physiological reaction of the subject to the corresponding emotional stimuli. Clichéd expressions and phraseological units also add shades of color and originality to the process of emotional activity. Linguistic folkloristics, as a new direction in Khakassian studies, is at the initial stage of its development. The language of Khakass heroic tales has many unstudied, unsolved, and therefore interesting conceptual fields in the lexical-semantic, functional-semantic, semantic-cognitive, linguocultural aspects. We believe that this topic has good linguistic potential and prospects for future research.
Cognitive researches of the Lexical and Grammatical potential of the Tatar language for the Development of New Intelligent Systems
Authors: Suleymanov D. Sh. , Gilmullin R. A. , Prokopyev N. A. , Galimov M. R.
Published: January 2024

In this article researches the cognitive properties of lexico-grammatical structures that corresponding the technological indicators of the Tatar language, provides a classification of lexicogrammatical structures in accordance with the cognitive mechanisms of knowledge representation and processing. Such studies are especially relevant in the space of agglutinative languages, which include the Tatar language, which are characterized by a fairly complex and, at the same time, almost regular morphology, which allows encoding in one word form almost the entire subject-predicative situation described in inflectional-analytic languages such as English , many offers. One of the main results of the research will be the implementation of tools that make it possible to describe and formalize lexical and grammatical structures based on semiotic universals. Formal models of cognitive lexico-grammatical structures of the Tatar language developed using this toolkit can serve as the basis for creating effective intelligent systems and technologies based on a fundamentally new architecture of information processing systems.
Korszerű koronáriaintervenció CT-vezérléssel: terápiás tervezés és előnyök
Authors: Juhász Dénes , Vattay Borbála , Boussoussou Melinda , Vecsey-Nagy Milán , Jokkel Zsófia , Jermendy Ádám , Merkely Béla , Édes István Ferenc , Szilveszter Bálint
Published: January 2024

A koszorúér-CT-angiográfi a (CCTA) hatékony és megbízható noninvazív modalitás az obstruktív koszorúér-betegség (CAD) kizárására, stabil mellkasi panaszokkal bíró betegek körében. Az elmúlt években tapasztalt dinamikus technológiai fejlődésnek köszönhetően, a térbeli és időbeli felbontás javulásával a CCTA diagnosztikus teljesítményének további javulása várható, így biztosítva a hatékony kapuőrfunkciót az invazív kivizsgálást megelőzően. Továbbá a CAD kiterjedtségének, súlyosságának és lokalizációjának meghatározása révén a betegek rizikóstratifi kációja és szekunder prevenciós kezelése optimalizálható. Továbbá obstruktív szűkület esetén a CCTA által nyújtott morfológiai információk (a léziók lokalizációja, hossza, összetétele) segíthetik az optimális stent kiválasztását, valamint teljes okklúzió esetén pontosabban megítélhető az intervenció sikeressége is. A koronáriarendszer anatómiai jellemzésén felül CT segítségével funkcionális információ is nyerhető (CT-FFR vagy perfúziós CT-vizsgálat), valamint új posztprocesszing szoftverek fejlesztésével az invazív beavatkozást követő várható FFR-érték is becsülhető, amely kiemelt segítséget nyújthat komplex perkután koronáriaintervenciók (PCI) tervezéséhez. Jelen összefoglaló közleményben a CCTA technikai újításait és a PCI-tervezésben betöltött szerepét foglaljuk össze.
A multimodális képalkotás szerepe a paravalvularis leak katéteres zárásában
Authors: Herczku Flóra Bernadett , Dénes Mónika , Fontos Géza , Vértesaljai Márton , Andréka Péter
Published: January 2024

Célkitűzés: A paravalvularis leak (PVL) incidenciája 5-18% műbillentyű-beültetést követően. Az esetek 3%-ában tünetes megjelenésű, ami szívelégtelenség tünetegyüttesét, valamint hemolitikus anémiát jelenthet. A betegpopulációt magas perioperatív rizikó jellemzi, az ismételt szívműtét 30 napos mortalitása 10% feletti. Ezen betegeknél jelent lehetőséget a katéteres leak-zárás. Célunk a Gottsegen György Országos Kardiovaszkuláris Intézetben végzett beavatkozások periprocedurális képalkotásának vizsgálata. Módszerek: Retrospektív vizsgálatunkba a 2009 szeptembere és 2021 decembere között végzett 62 katéteres PVL-zárást (36 férfi , 26 nő, átlagéletkor 69,5±10,9 év) vontuk be. Értékeltük a csak 2D transoesophageális echokardiográfi án (TEE) átesett csoporttal összehasonlítva a multimodális képalkotás (3D TEE és szív-CT) szerepét a mortalitás, a szövődmények és a technikai siker vonatkozásában. Eredmények: A vizsgált időszakban a zárás indikációja az esetek 82%-ában szívelégtelenség, 19%-ában hemolitikus anémia volt. A műbillentyű beültetésétől számított medián idő 4,3 év volt. Mitralis érintettség 42 esetben fordult elő (mechanikus műbillentyű 34 eset, biológiai 8 eset), aorta 21 esetben volt érintett (mechanikus 15 eset, biológiai 3 eset, TAVI 3 eset). Azokban az esetekben, amikor csak 2D TEE-t végeztek, a technikai sikeresség 86%, a 30 napos mortalitás 8% volt. A beavatkozást megelőzően 26 esetben került sor multimodális képalkotásra, ezen esetek technikai sikeressége 96%, a 30 napos mortalitása 11%-nak adódott. Következtetések: A tünetes, de magas rizikójú páciensek esetén eredményes és biztonságos alternatívát jelent a katéteres PVL-zárás. A multimodális képalkotás alkalmazása segíthet a PVL paramétereinek meghatározásában, a beavatkozás hosszának, illetve a komplikációk száma csökkentésében.
A felnőttkori autoimmun reumatológiai kórképek kardiológiai vonatkozásai
Authors: Morvai-Illés Blanka , Jdid Mahmoud Saddik , Csadi Róbert , Varga Albert , Vágó Hajnalka , Ágoston Gergely
Published: January 2024

Az autoimmun reumatológiai betegségek a szív bármely struktúráját károsíthatják immungyulladásos folyamatok révén. Közismert, hogy jelentősen emelik a kardiovaszkuláris rizikót, így a hagyományos kardiovaszkuláris rizikófelmérésre önmagában nem támaszkodhatunk. Emellett a kezelés során alkalmazott reumatológiai terápia szív-ér rendszeri mellékhatásai sem elhanyagolhatók. A kardiális manifesztációk korai (akár már a szubklinikus szakban történő) felismerésével jelentősen javulhat az alapbetegség prognózisa. Ebben több friss szakmai állásfoglalás is segíti a mindennapi gyakorlatot.
A fast, convenient, polarizable electrostatic model for molecular dynamics
Authors: Wang Liangyue , Schauperl Michael , Mobley David L. , Bayly Christopher , Gilson Michael K.
Published: January 2024

We present an efficient polarizable electrostatic model, utilizing typed, atom-centered, polarizabilities and the fast direct approximation, designed for efficient use in molecular dynamics (MD) simulations. The model provides two convenient approaches to assigning partial charges in the context of the atomic polarizabilities. One is a generalization of RESP, called RESP-dPol, and the other, AM1-BCC-dPol, is an adaptation of the widely used AM1-BCC method. Both are designed to accurately replicate gas-phase QM electrostatic potentials. Benchmarks of this polarizable electrostatic model against gas-phase dipole moments, molecular polarizabilities, bulk liquid densities, and static dielectric constants of organic liquids, show good agreement with the reference values. Of note, the model yields markedly more accurate dielectric constants of organic liquids, relative to a matched non-polarizable force field. MD simulations with this method, which is currently parameterized for molecules containing elements C, N, O, and H, run about only 3.6-fold slower than fixed charge force fields, while simulations with the self-consistent mutual polarization average 4.5-fold slower. Our results suggest that RESP-dPol and AM1-BCC-dPol afford improved accuracy, relative to fixed charge force fields, and are good starting points for developing general, affordable, and transferable polarizable force fields. The software implementing these approaches has been designed to utilize the force field fitting frameworks developed and maintained by Open Force Field Initiative, setting the stage for further exploration of this approach to polarizable force field development.
Asymmetric Synthesis of Nidulalin A and Nidulaxanthone A: Selective Carbonyl Desaturation Using an Oxoammonium Salt
Authors: Ji Kaijie , Johnson Richard , McNeely James , Al Faruk Md , A Porco John
Published: January 2024

Nidulaxanthone A is a dimeric, dihydroxanthone natural product which was isolated in 2020 from Aspergillus sp. Structur-ally, the compound features an unprecedented heptacyclic 6/6/6/6/6/6/6 ring system which is unusual for natural xanthone dimers. Biosynthetically, nidulaxanthone A originates from the monomer nidulalin A via stereoselective Diels-Alder dimeri-zation. To expedite the synthesis of nidulalin A and study the proposed dimerization, we developed methodology involving use of allyl triflate for chromone ester activation followed by vinylogous addition to rapidly forge the nidulalin A scaffold in a four-step sequence which also features ketone desaturation using Bobbitt’s oxoammonium salt. The asymmetric synthesis of nidulalin A was achieved using acylative kinetic resolution (AKR) of chiral, racemic 2H-nidulalin A. Dimerization of en-antioenriched nidulalin A to nidulaxanthone A was achieved using solvent-free, thermolytic conditions. Computational studies have been conducted to probe both the desaturation and (4+2) dimerization events.
Is Unsupervised Dimensionality Reduction Sufficient to Decode the Complexities of Electrochemical Impedance Spectra?
Authors: Makogon Aleksei , Kanoufi Frédéric , SHKIRSKIY Viacheslav
Published: January 2024

As electrochemical research undergoes rapid technological progression, the acquisition of substantial amounts of electrochemical impedance spectra (EIS) becomes increasingly feasible. Yet, this advancement introduces intricate challenges in data processing, automation, and interpretation. This paper delves into the sufficiency of unsupervised machine learning (ML) and in particular dimensionality reduction methods in decoding EIS complexities, examining its strengths, limitations, and potential pathways for optimization. As we navigated the intricacies of non-linear dimensionality reduction, spotlighting t-distributed stochastic neighbor embedding (t-SNE) and uniform manifold approximation and projection (UMAP) algorithms, a pattern emerged: these techniques excel at categorizing divergent impedance spectra but show limitations when faced with analogous circuit configurations, especially those substituting a capacitor with a constant phase element. This observation not only underscores a limitation but also accentuates that unsupervised ML approaches, alone, may not fully unravel the nuances of EIS spectra. In the concluding section of our manuscript, we discuss the implications of this finding from a practical standpoint, particularly for electrochemists seeking to apply these methods in their work.
Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery
Authors: Dolciami Daniela , Ziolek Robert , Davies Daniel , Carter Michael , Mok Yi , Sherhod Richard
Published: January 2024

Chemical diversity is challenging to describe objectively. Despite this, various notions of chemical diversity are used throughout the medicinal chemistry optimization process in drug discovery. In this work, we show the usefulness of considering exploited vectors during different phases of the drug design process to provide a quantitative and objective description of chemical diversity. We have developed a concise and fast approach to enumerate and analyze the exploited vector patterns (EVPs) of molecular compound series, which can then be used in archetypal compound selection tasks from hit matter identification to hit expansion and lead optimization. We firstly show that EVPs can be used to assess the progressibility of compounds in a fragment library design exercise. By considering EVPs, we then show how a set of compounds can be prioritized for hit expansion using EVP-based, customizable diversity sampling approaches, reducing the time taken and mitigating human biases. We also show that EVPs are a useful tool to analyze SAR data, offering the chance to uncover correlations between different vectors without pre-determining the molecular scaffold structures. The codes used to perform these tasks are presented as easy-to-use Jupyter notebooks, which can be readily adapted for further related tasks.
Inherent directing group enabled, Co(III)-catalyzed C-H allylation/ vi-nylation of isoquinolones
Authors: - Sachin , Sharma Tamanna , Chandra Devesh , Sharma Upendra
Published: January 2024

The site-selective C8-allylation and vinylation of isoquinolones have been accomplished using allyl acetate and vinyl acetate and oxo group of isoquinolone as an inherent directing group in the presence of Co(III) catalysis. A plausible mechanism for the developed reaction has also been delineated based on preliminary mechanistic studies. Broad substrate scope with good to excellent yield and post-synthetic transformations of allyl and vinyl products feature the importance of reaction.
Combining IC50 or Ki Values From Different Sources is a Source of Significant Noise
Authors: Landrum Gregory A. , Riniker Sereina
Published: January 2024

As part of the ongoing quest to find or construct large data sets for use in validating new machine learning (ML) approaches for bioactivity prediction, it has become distressingly common for researchers to combine literature IC50 data generated using different assays into a single data set. It is well known that there are many situations where this is scientifically risky thing to do even when the assays are against exactly the same target, but the risks of assays being incompatible is even higher when pulling data from large collections of literature data like ChEMBL. Here, we estimate the amount of noise present in combined data sets by comparing results where results for the same compound are reported in multiple assays against the same target. This approach shows that IC50 assays selected using minimal curation settings have poor agreement with each other: almost 65% of the points differ by more than 0.3 log units, 27% differ by more than one log unit, and the correlation between the assays, as measured by Kendall’s τ is only 0.51. Requiring that most of the assay metadata in ChEMBL matches (“maximal curation”) in order to combine two assays, improves the situation (48% of the points differ by more than 0.3 log units, 13% by more than one log unit, and Kendall’s τ is 0.71) at the expense of having smaller data sets. Surprisingly, our analysis shows similar amounts of noise when combining data from different literature Ki assays. We suggest that good scientific practice requires careful curation when combining data sets from different assays and hope that our maximal curation strategy will help to improve the quality of the data that is being used to build and validate ML models for bioactivity prediction. To help achieve this, the code and ChEMBL queries that we used for the maximal curation approach are available as open-source software in our GitHub repository, https://github.com/rinikerlab/overlapping_assays.
A Biomimetic Synthetic Strategy can Provide Keratan Sulfate I and II Oligosaccharides with Diverse Fucosylation and Sulfation Patterns
Authors: Wu Yunfei , Bosman Gerlof , Chapla Digantkumar , Huang Chin , Moremen Kelley , de Vries Robert , Boons Geert-Jan
Published: January 2024

Keratan sulfate (KS) is a proteoglycan that is widely expressed in the extracellular matrix of various tissue types where it performs multiple biological functions. KS is the least understood proteoglycan, which in part is due to a lack of panels of well-defined KS oligosaccharides that are needed for structure-binding studies, as analytical standards, to examine substrate specificities of keratinases and for drug development. Here, we report a biomimetic approach that makes it possible to install, in a regioselective manner, sulfates and fucosides on oligo-N-acetyllactosamine (LacNAc) chains to provide any structural element of KS by using specific enzyme modules. It is based on the observation that 1,3-fucosides, 2,6-sialosides and C-6 sulfation of galactose (Gal6S) are mutually exclusive and cannot occur on the same LacNAc moiety. As a result, the pattern of sulfation on galactosides can be controlled by installing1,3-fucosides or 2,6-sialosides to temporarily block certain LacNAc moieties from sulfation by keratan sulfate galactose 6-sulfotransferase (CHST1). The pattern of 1,3-fucosylation and 2,6-sialylation can be controlled by exploiting the mutual exclusivity of these modifications, which in turn controls the sites of sulfation by CHST1. Late-stage treatment with a fucosidase or sialidase to remove blocking fucosides or sialosides provides selectively sulfated KS oligosaccharides. These treatments also unmasked specific galactosides for further controlled modification by CHST1. To showcase the potential of the enzymatic strategy, we have prepared a range of poly-LacNAc derivatives having different patterns of fucosylation and sulfation and several N-glycans decorated by specific arrangements of sulfates.
Dual-component Interlayer Enables Uniform Lithium Deposition and Dendrite Suppression for Solid-State Batteries
Authors: You Xiang , Chen Ning , Xie Geng , Xu Shihong , Buriak Jillian , Sang Lingzi
Published: January 2024

β-Lithium thiophosphate (LPS) exhibits high Li+ conductivity and has been identified as a promising ceramic electrolyte for safe, and high-energy density all-solid-state batteries. Integrating LPS into solid-state lithium (Li) batteries would enable the use of a Li electrode with the highest deliverable capacity. However, LPS-based batteries operate at a limited current density before short-circuiting, posing a major challenge for the development of application-relevant batteries. In this work, we designed a dual-component interfacial protective layer called LiSn-LiN, that forms in-situ between the Li electrode and LPS electrolyte. The LiSn component, Li22Sn5, exhibits enhanced Li diffusivity compared to the metallic Lithium and facilitates a more uniform lithium deposition across the electrode surface, thus eliminating Li dendrite formation. Meanwhile, the LiN component, Li3N, shows enhanced mechanical stiffness compared to LPS and functions to suppress dendrite penetration. This chemically robust LiSn-LiN interlayer provides a more than doubled deliverable critical current density compared to systems without interfacial protection. Through a combined XPS and XAFS analysis, we determined the local structure and the formation kinetics of the key functional Li22Sn5 phase formed via the electrochemical reduction of a Sn3N¬¬¬4 precursor. This work demonstrates an example of structural-specific design of a protective interlayer with a desired function – dendrite suppression. The structure of a functional protective layer for a given solid-state battery should be tailored based on the given battery configuration and its unique interfacial chemistry.
Dysfunctional Breathing – View of Pulmonologist
Authors: Kopitović Ivan , Mirić Milica
Published: January 2024

Dysfunctional breathing (DB) is a respiratory disorder defined by non-regular breathing patterns. It is a breathing condition where long term changes in breathing pattern result in symptoms (main is dyspnoea) but also a non-respiratory symptoms, with no prominent cardio-respiratory or neuro-psychiatric disease (sometimes secondary to them). It has been identified in different age groups and also among asthma patients. Although DB has been investigated for long time, it is poorly understood because of lack in clinical trials and validated outcome measures specific to this population. DB irregularity is often missed, because of the similarity of its associated symptoms (dyspnoea, tachycardia, and dizziness) to those of other common cardiorespiratory diseases such as heart failure, asthma and chronic obstructive pulmonary disease (COPD). The high rates of misdiagnosis of DB suggest that health care professionals do not fully understand this condition and may therefore fail to provide patients with an appropriate treatment. A holistic assessment is the most appropriate way to improve understanding and diagnostic accuracy.
Management of Athlete's foot with topical Zinc Sulphate (15%) Solution versus Clotrimazole (1%) Solution
Authors:   Baquba Teaching hospital, Diyala , Iraq, D Hameed Saad , Y Abbood Sarmad , A  Alhajji Attaa
Published: January 2024

Background: Athlete's foot (tinea pedis) is by far the commonest fungal infections of the integument in the developed world that usually begins between the toes. Multiple drugs were used for the treatment of athlete's foot and including both; topical and systemic agents.Zinc sulphate has been used as topical antifungal agent. Objective: Comparison the efficacy of 15% zinc sulphate solution topically in the management of tinea pedis with topical clotrimazole solution. Patients and Methods: A therapeutic, single blind, comparative, study of Zinc Sulphate solution (15%) in the management of tinea pedis in comparison with clotrimazole solution (both topically), that conducted in the Unit of Dermatology and Venereology ,Baquba Teaching Hospital, extended from March 2020- July 2021 . Fifty patients, 31 males and 19 females with tinea pedis were registered in this study. Divided to 2 groups of patients included in the study: Group A: Use the topical zinc sulphate solution 15%. Group B: Use the topical 1% Clotrimazole solution. A complete history with examination clinically were done for all patients with tinea pedis involving all the relevant points. All patients were used the medicine twice daily for 30 days, and follow there to be seen every 14 days during the course of treatment and then follow up for two months. The patients were examined clinically; also the scoring of feet odor was done at each visit. Results: Group A: Twenty five patients 9 (36%) females and 16 (64%) males were included in this group were treated by Zinc Sulphate solution , and their ages ranged between 27-73(47.8±12.18) years. and the duration of that illness was ranged from 1-120(43±46.61) months. Clinical response after one month of the treatment was 10(40%) patients with complete clearance, 5(20%) patients had partial clearance while 10(40%) patients showed no response. Group B: Twenty five patients treated by clotrimazole solution, and their ages ranged from 24-65(43.2±11.83) years, and the duration of the illness was ranged from 1-180(30.24±44.9) months. Clinical response after four weeks of treatment was 19(76%) patients with complete response, 2(8%) patients had partial response, while 4(16%) patients have no response. There was no statistical significance difference at two weeks in comparison between group A and B (chi square 5.37 P value =0.07) but was slightly significant at four weeks (chi square 6.65, P value =0.04). Side effects of treatment were mild which included itching and burning sensation in 4(16%) patients of group A and in 1(4%) patients of group B. These side effects did not require discontinuation of the treatment. Conclusion: Clotrimazole solution was superior to15% Zinc sulphate solution as effective as topical treatment for Athlete's foot. Keywords: Tinea pedis, topical zinc sulphate, clotrimazole