bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigation of Thermal Performance of Heat Exchangers of Inclined-Elliptic-Tube Bundle
Authors: Bellahcene Lahcene , Yousfi Aissa , Sahel Djamel , Laouer Abdelghani , Mohammed Souici , Arıcı Müslüm , Teggar Mohamed
Published: April 2024

Passive performance improvement of heat exchangers is cost-effective and crucial for energy efficiency as well as sustainability of thermal systems. In this paper, an investigation is presented on a compact configuration of heat exchanger composed of a bundle of inclined elliptical tubes. The effect of geometrical parameters on the thermal performance of the heat exchanger is investigated for two tube arrangements i.e. inline and staggered configurations. These parameters include longitudinal (SL/a = 3 to 6) and transversal (ST/a = 2.5 to 5.5) pitch ratios. A CFD commercial code is used for simulation of heat transfer and fluid flow. Computations are performed for the Reynolds number range Re = 300-1500. The outcomes indicate higher performance of the staggered arrangement when compared with the inline inclined tubes. The best thermal performance is observed for a staggered configuration with SL/a = 6, ST/a = 5.5 at Re = 1500. Furthermore, correlations are provided for Nusselt number for heat exchangers of inclined elliptic tubes.
Formation of professional competencies in higher education institutions of fire-technical profile, taking into account gender characteristics
Authors:   State Fire Academy of EMERCOM of Russia, ROMANYUK Elena V. , SIBIRYAKOV Maksim V. ,   State Fire Academy of EMERCOM of Russia
Published: April 2024

Purpose. The article is devoted to the analysis of training female cadets at State Fire Academy of EMERCOM of Russia for their further professional fulfillment within the structures of EMERCOM and creation of a methodology for assessing professional training on its basis. The authors’ goal is to improve the process of qualified personnel training for EMERCOM. The authors’ tasks include analysis of regulations governing the subject area, employment statistics, job descriptions, curricula in various areas of training implemented at State Fire Academy of EMERCOM of Russia, syllabus of disciplines and competencies being formed, development of methods for analyzing training effectiveness. Methods. Statistical analysis, synthesis, classification, description, comparison, expert survey were used. Findings. A methodology has been developed for assessing the compliance of the competencies acquired during the training process in various areas of training with the positions held. The directions for female specialists training system development have been determined with consideration of gender features. Research application field. The developed approach can be applied in assessing the compliance of the competencies of graduates’ professional activities formed during educational process, both in educational organizations under the auspices of EMERCOM of Russia and in other educational organizations. Conclusions. The main objective of an educational organization is training highly qualified personnel who meet their future occupation requirements. Self-realization of the graduates of educational institutions of EMERCOM of Russia is complicated by the specifics of professions in the emergency sector. This may result in a depressed psychophysical state, and sometimes giving up the profession, which reduces the efficiency of spending budget funds. It is important to define the criteria and methods for assessing specialist training effectiveness from the point of view of professionally significant qualities availability in a graduate. The developed approach will make it possible to introduce changes into the training system.
Development of approaches to determining the cause of a fire: from the beginning of the 20th century to the present day
Authors:   State Fire Academy of EMERCOM of Russia, KHODIKOVA Nina A. , PLESHAKOV Vitaly V. ,   State Fire Academy of EMERCOM of Russia, CHEPRAKOVA Victoriya R. ,   State Fire Academy of EMERCOM of Russia, MALKO Valery A. ,   State Fire Academy of EMERCOM of Russia, KONOVALOVA Anna A. ,   State Fire Academy of EMERCOM of Russia
Published: April 2024

Purpose. The article examines the evolution of approaches to determining the immediate cause of fires in Russia based on a retrospective analysis of scientific and methodological works from 1906 to the present. It is revealed that currently, the basis for reasoning aimed at establishing the cause of a fire is the abductive method, in which hypotheses about their probable causes are formulated based on known consequences. At the same time, a complex of organically interconnected signs of a fire manifests and changes depending on the stage of fire development; it can arise under the influence of various causes and, significantly, reflect the peculiarities of the object's reaction to the fire. In this regard, there is a need to develop more advanced approaches to forming versioning conclusions when establishing the cause of a fire during fire-technical expertise, which would minimize the limitations described above. To develop such an approach, a retrospective analysis of activities for establishing the cause of a fire was carried out, as well as the analysis and selection of logical methods for its determination. Methods. The scientific basis of the research was provided by system analysis, methods of information synthesis, and expert analysis. Findings. The analysis showed that from 1906 to 2018 in our country the main method of investigating the circumstances related to the occurrence of fires is abductive reasoning (versioning analysis). There is a database in which each specific cause of a fire is implicatively linked to a set of signs arising in a fire that occurred for this reason. Research application field. The obtained results can be used in further development of methods for identifying the cause of fires. Conclusions. The study showed that the abductive approach to proposing versions of the causes of fires in the 20th–21st centuries has proved to be productive; the probability of abductive conclusions increased in various directions (through computer modeling – scenario approach, in technical aspects – involving physico-chemical analysis, etc.). Schemes for conducting versioning research to establish the cause of a fire at the initial and modern stages have been developed. The development of methods for identifying the cause of fires may consist of expanding and detailing the theoretical basis of versions, improving mathematical models and their informational support, as well as developing algorithms for comparing theoretical and factual bases of versions to form an expert conclusion – versioning conclusion.
Afrika Açılımı Bağlamında Türkiye’nin Somali’ye Yönelik Dış Politikası ve Sivil Toplum Kuruluşları: 2011 Kıtlık Vakası
Authors: Balcı Onur
Published: April 2024

Sivil toplum kuruluşlarının (STK’ların) sayısı ve bununla birlikte bu kuruluşların devletler ile olan münasebetleri de artmaktadır. Bu süreçte STK’lar devletlerin dış politikasını etkilemeye çalıştıkları gibi devletler de dış politikalarında bu kuruluşları birer araç olarak kullanabilmektedir. Özellikle dış politikanın hedefi doğrultusunda tecrübe sahibi STK’ların sürece dahil edilmesi, dış politikanın uygulanmasında kolaylaştırıcı olabilmektedir. Bu çalışmanın amacı Afrika Açılımı bağlamında Somali’ye yönelik dış politikasında Türkiye’nin STK’ları sürece nasıl dahil ettiğini göstermektir. Bu amaçla Somali’de 2011 yılında vuku bulan şiddetli kıtlık vakası özelinde analiz gerçekleştirilmiştir. Nitel yöntem kullanılan bu çalışmada Türkiye Cumhuriyeti resmî kurumlarının ve bazı STK’ların raporları başta olmak üzere ilgili bilimsel yayınlar, raporlar ve haber yazıları aracılığıyla veriler toplanmıştır. Elde edilen bulgular ışığında 2011 kıtlık vakası özelinde Türkiye’nin Somali’ye yönelik dış politikasında STK’ların tamamlayıcı unsur oldukları ve sürecin başarıya ulaştığı gözlemlenmiştir. Ayrıca Türkiye’nin söz konusu dış politikasının kendine has bir anlayışla gerçekleştirildiği tespit edilmiştir.
أثر استخدام الذكاء الاصطناعي على أداء المراجعين في بيئة الأعمال السعودية
Authors: السالم كوثر علي
Published: April 2024

هدفت هذه الدراسة إلى التعرف على أثر استقدام الذكاء الاصطناعي في بيئة الأعمال السعودية على أداء المراجعين السعوديين اعتماداً على ثلاث مبادئ: اكتشاف الإخطاء الجوهرية، الالتزام بالأنظمة واللوائح، وأخيراً قدرة المنشاة على الاستمرارية، حيث كان مجتمع الدراسة جميع مكاتب المراجعة المرخصة في المملكة العربية السعودية وكانت عينة الدراسة 162 مكتب، ومن أجل تحقيق أهداف الدراسة تم استخدام المنهج الوصفي المسحي اعتماداً على الاستبانة كأداة أساسية لجمع البيانات ، و توصلت الدراسة إلى أنه يوجد أثر  إيجابي لإدخال الذكاء الاصطناعي على أداء مدققي الحسابات في مراجعة القوائم المالية للشركات المساهمة السعودية. حيث أدى الذكاء الاصطناعي إلى زيادة قدرة المدققين على اكتشاف الأخطاء الأساسية بشكل كبير (متوسط الاستجابة: 4.27، الانحراف المعياري: 0.8226)، كما وسهل الذكاء الاصطناعي اكتشاف عدم التزام المدققين باللوائح بشكل كبير (متوسط الاستجابة: 4.18، الانحراف المعياري: 0.8506)، أيضاً هناك أثر اً إيجاباً للذكاء الاصطناعي على تقييم المدققين لقدرة الإدارة على الاستمرارية (متوسط الاستجابة: 4.23، الانحراف المعياري: 0.8114)، كما أوصت الباحثة بعدد من التوصيات أبرزها: تعزيز البنية التحتية الرقمية حتى تخط الطريق لاستخدام تقنيات الذكاء الاصطناعي مستقبلاً وضرورة تطوير عملية  المراجعة بما يتناسب مع متطلبات المهنة ومواكبة للتطور التكنولوجي الحديث.
EVALUATION OF NGABEAN SECONDARY CANAL IRRIGATION NETWORK, NGAWI DISTRICT PART OF SALURAN INDUK MADIUN IRRIGATION AREA
Authors: Nusantara Danayanti Azmi Dewi , Hartiningsih Poppy Fajar Putri
Published: April 2024

The SIM Irrigation Area has an area of 10,860 Ha and a primary canal length of 27,022 m, which passes through the Regencies of Madiun, Magetan, Ngawi, and Madiun City. One of the secondary canals in the D.I SIM is the Ngabean Secondary Canal, located in Ngawi Regency. This canal receives the main water supply from Jati Dam, 25% of the primary dam discharge and water withdrawal from the Ngabean Dam intake of 0.45 m3/ha. However, this value only meets the water needs of some of the irrigation areas. Due to the limited supply from the Jati Bendung, the government is working on rehabilitation work at the Jati Bendung. Apart from that, the Ngabean Secondary Canal also experienced a reduction in the irrigation area from 1840 ha to 1818 ha, to be precise in the NG3 Ki tertiary plot, which had an initial area of 120 ha to 98 ha. Therefore, an evaluation of the Ngabean Secondary Canal is needed to determine the value of water demand, water availability before and after rehabilitation and land reduction, and increasing agricultural profits.From the results of the analysis that has been carried out, it was concluded that the highest dependent flow at Ngabean Dam was 5.00 m3/s, and the lowest was 0.01 m3/s. Meanwhile, in conditions before rehabilitation, the highest dependent flow of Jati Dam was 1.01 m3/s, and the lowest was 0.00 m3/s with water withdrawal at the intake of 25%, able to fulfill the planting pattern of paddy (15%)-crops (75%)-crops (50%) generated a production profit of IDR 8.794.123.880,00. Meanwhile, after rehabilitation, the highest was 5.93 m3/s, and the lowest was 3.21 m3/s with an intake of 32%, able to fulfill the planting pattern of paddy (100%)-paddy (100%)-paddy (100%), resulting in a production profit of IDR 83, 564,115,480.00 with the highest irrigation water requirement value of 3.10 m3/sec. Apart from that, the existing canal dimensions still meet the requirements after land reduction, so no changes to the canal dimensions are required.
Acute Cerebral Infarction following Ventricular Tachycardia Ablation
Authors:   Department of Cardiovascular Medicine, Jiangbei Campus, Zhongda Hospital Affiliated to Southeast University, China, Dong Le , Long Chen ,   Department of Cardiovascular Medicine, Jiangbei Campus, Zhongda Hospital Affiliated to Southeast University, China
Published: April 2024

Ablation is a more effective treatment than drug therapy for ventricular tachycardia, and its safety is increasingly emphasized. This case reports the treatment of acute cerebral infarction following ventricular tachycardia ablation, with prompt restoration of cerebral blood flow and a positive prognosis. These results provide valuable insights for cardiology colleagues.
Angiographic Coronary Revascularization in Patient with Chronic Total Occlusion of Left Coronary Artery Originating from Right Coronary Cusp: A Retrograde Approach
Authors:   President of Iranian Society of Atherosclerosis, Tehran, Iran, M Ghasemi , MJ Tootoonchian ,   General Cardiologist, Department of Cardiology, Imam Sadegh Hospital, Arak University of medical Sciences, Tehran, Iran, H Harati ,   Fellowship of Echocardiography, Bahman General Hospital, Tehran, Iran, V Laleh Far ,   Department of cardiology, Pars Hospital, Tehran, Iran
Published: April 2024

A 51-years-old man with left main coronary artery originating from right Valsalva sinus presented with unstable angina and multi-vessel coronary disease and chronic total occlusion of anterior descending artery. Percutaneous coronary intervention using retrograde approach achieved complete revascularization and symptom relief.
The Association between Inflammatory Indicators and the Incidence of Contrast-Induced Acute Kidney Injury in Patients Undergoing Elective Percutaneous Coronary Angiogram
Authors:   Zhejiang University School of Medicine Sir Run Run Shaw Hospital, Cardiology, CN, C Gu , T Hu ,   Zhejiang University School of Medicine Sir Run Run Shaw Hospital, Cardiology, CN, Y Shan ,   Zhejiang University School of Medicine Sir Run Run Shaw Hospital, Cardiology, CN, Y Li ,   Zhejiang University School of Medicine Sir Run Run Shaw Hospital, Cardiology, CN, D Li ,   Zhejiang University School of Medicine Sir Run Run Shaw Hospital, Cardiology, CN, ZM Alsalman ,   Zhejiang University School of Medicine Sir Run Run Shaw Hospital, Cardiology, CN, X Shen ,   Zhejiang University School of Medicine Sir Run Run Shaw Hospital, Cardiology, CN, M Wang ,   Zhejiang University School of Medicine Sir Run Run Shaw Hospital, Cardiology, CN
Published: April 2024

Background: Previous studies have shown that high-sensitivity C-reactive protein (hs-CRP) was an independent risk factor for Contrast-Induced Acute Kidney Injury (CI-AKI). However, the relationship between new inflammatory indicators (eg. NLR, Neutrophil to Lymphocyte Ratio; MLR, Monocyte to Lymphocyte Ratio; PLR, Platelets to Lymphocyte Ratio) and CI-AKI remains unclear. Methods: It was a multicenter retrospective observational study. Patients undergoing elective percutaneous coronary angiogram with creatinine record pre- and post-operative in 72hrs were recruited into this study from January 2015 to December 2019. All patients were divided into CI-AKI and non-CI-AKI groups. Multivariate logistic regression was used to explore the predictive value of inflammation indicators on CI-AKI. The receiver operating characteristic (ROC) curve was used, and the area under the ROC curve (AUC) were calculated. Results: Totally 3545 patients were enrolled, and 15.0% (532/3545) patients suffered from CI-AKI. Multivariate logistic regression analysis indicated that hs-CRP (OR 1.025, 95% CI 1.014-1.036, P<0.001) was an independent risk factor for the incidence of CI-AKI. NLR (OR 1.121, 95% CI 1.078-1.165, P<0.001), MLR (OR 5.672, 95% CI 3.400-9.463, P<0.001), PLR (OR1.043, 95% CI 1.024-1.062, P=0.001) were also independent risk factors for the incidence of CI-AKI. All the results were confirmed in the subgroup analysis, and the results were consistent. Conclusions: Elevated levels of inflammatory indicators, including hs-CRP, NLR, MLR, and PLR are independent risk factors for the incidence of CI-AKI in patients undergoing percutaneous coronary angiogram.
A Man in His 70s with Severe Chest Pain and an Odd Initial ECG
Authors:   Department of Cardiology, Hospital Espírito Santo de Évora, Évora, Portugal, M Carias de Sousa , M Bento A and Trinca ,   Department of Cardiology, Hospital Espírito Santo de Évora, Évora, Portugal
Published: April 2024

What does it mean when we integrate a typical clinical presentation with a specific ECG pattern? A 72-year-old male smoker with arterial hypertension and hypercholesterolemia went to the emergency department with intense chest pain with 2 hours of evolution. The initial electrocardiogram revealed sinus rhythm at 84 bpm and ST-segment depression with symmetrical T-wave elevation in leads V2-V6, consistent with a De Winter pattern (Figure 1).
A Surinamese Woman with Severe Hypercalcemia and Ascites
Authors:   Department of Internal Medicine, Maasstad Hospital, Rotterdam, The Netherlands, Rij Jort A van , Langerak Anton W ,   Department of Immunology Erasmus Medical Centre, Rotterdam, The Netherlands, Budel Leo M ,   Department of Pathology, Maasstad Hospital, Rotterdam, The Netherlands, Weerkamp Floor ,   Department of Clinical Chemistry, Maasstad Hospital, The Netherlands, Wayet Jérôme ,   Laboratory of Viral Oncogenesis, Institut Jules Bordet, ULB, Brussels, Belgium, Broeke Anne Van den ,   Laboratory of Viral Oncogenesis, Institut Jules Bordet, ULB, Brussels, Belgium, Sandberg Yorick ,   Department of Internal Medicine, Maasstad Hospital, Rotterdam, The Netherlands
Published: April 2024

A 60-year-old Surinamese woman was admitted to the department of Hematology because of refractory hypercalcemia and weight loss. Three months earlier she presented with aphasia and ataxia due to hypercalcemia (4.32 mmol/L). She was treated with intravenous fluids, calcitonin and pamidronate, resulting in normocalcemia. Serum Parathyroid Hormone (PTH) was 1.93 pmol/L. At that time, a bone marrow and Peripheral Blood (PB) examination and Fluorodeoxyglucose-Positron Emission Tomography (FDG-PET) scan did not show any abnormalities. Physical examination revealed multiple papules and diffuse scaling (Figure 1A). Current PB analysis demonstrated anemia (10 g/dL), thrombocytopenia (103 x 109/L), leukocytosis (20.5x 109/L; 38% lymphocytes), hypercalcemia (3.58 mmol/L) and elevated LDH (652 U/L). FDG-PET/CT at this time point showed ascites and splenomegaly.
Diminished Protective Effects of Education, Income and Employment against Obesity Risk in Black Women at Reproductive Age: National Health and Nutrition Examination Survey (NHANES 1999-2016)
Authors:   Marginalization-Related Diminished Returns (MDRs) Research Center, Charles R Drew University of Medicine and Science, Los Angeles, California, USA, S Assari , H Zare ,   University of Maryland Global Campus, Health Services Management, Adelphi, Maryland, USA
Published: April 2024

Background: Socioeconomic status (SES) indicators protect individuals and populations against health problems such as obesity. Marginalizationrelated Diminished Returns (MDRs), however, refer to the weaker economic and health returns of education, employment, and income for Black than the returns for White people. Aims: To test the effects of three major SES indicators, namely educational attainment, employment, and income, on obesity for women at reproductive age, and to test variation in these associations by race. Methods: We used cross-sectional data from the National Health and Nutrition Examination Survey (NHANES). Sample was limited to non-Latino White and Black women at reproductive age (age between 20 and 44). Analytical sample was composed of 5237 women. Survey regressions were used to test the effects of education, employment, and income (independent variables) on obesity (dependent variable) and by race (moderator). Results: Overall, educational attainment and income were inversely associated with odds of obesity in our sample, however, we found significant interactions indicating that the effects of education, employment, and income were all weaker for Black than White women. Conclusions: In line with MDRs, and probably due to structural racism, social stratification, labor market discrimination, and different food options, obesity remains higher than expected in highly educated, employed, and highincome Black women, a pattern that is not seen in White women. Black middleclass women at reproductive age remain at risk for obesity. To eliminate racial disparities in perinatal outcomes, we need to go beyond low SES and address the perinatal needs of middle-class Black women, for whom obesity remains a health risk.
Efficiency Evaluation and Spatial Autocorrelation Analysis of Primary Health Care Resources Distribution: The Panel Three-Stage DEA Model
Authors:   School of Humanity and Management, Zhejiang Chinese Medical University, China, YL Liu , RX Xu ,   School of Humanity and Management, Zhejiang Chinese Medical University, China, XH Meng ,   School of Humanity and Management, Zhejiang Chinese Medical University, China, YP Ye ,   School of Humanity and Management, Zhejiang Chinese Medical University, China, CM Xu ,   School of Law, Zhejiang University, China
Published: April 2024

Objective: To analyse the distribution of Primary Health Care (PHC) in efficiency among provinces from 2010 to 2019 in China, to examine the factors influencing performance, and to describe the spatial agglomeration characteristics of allocation efficiency, so as to optimize and balance the utilization thereof. Method: Using a panel Three-stage DEA comparative analysis model to describe factors that may lead to high efficiency, combined with a descriptive study for spatial agglomerating features of provinces using Spatial autocorrelation analysis. Results: The overall performance of PHC distribution efficiency is unreasonable, with an average comprehensive technical efficiency of 0.688 from 2010 to 2019. The external and management noise had a significant impact on the efficiency of PHC resource allocation. The increase in per capital GDP could enhance the efficiency, but the dependence ratio of the elderly population and the rate of urbanization were inversely. The effectiveness of PHC allocation had spatial agglomeration features. Moran’s I index was the lowest in 2016 (0.293) and the highest in 2019 (0.421) at the significance level of 1%. The Getis_Ord GI* index demonstrates that the general level of spatial agglomeration had improved, with the number of cluster provinces increasing from 11 to 15. Conclusion: The PHC distribution efficiency should be improved, the establishment of balanced eastern, central and western regions should be encouraged, and a new PHC ecosystem should be established. Further, new patterns should be created in the geographic area of primary health care, and citizens’ access to medical services should be increased.
Association between General Health, Fatigue and Social Support among Health Professionals: A Cross - Sectional Study in Greece
Authors:   General Hospital of Thoracic Diseases SOTIRIA, Athens, Greece, Hellenic Open University, School of Social Sciences, Patra, Greece, P Theofilou , D Iona ,   Hellenic Open University, School of Social Sciences, Patra, Greece, F Tzavella ,   University of Peloponnese, Department of Nursing, Tripoli, Greece
Published: April 2024

The present study was carried out to describe the levels of general health among health professionals and their perceived level so fatigue and social support. Additionally, the purpose of this study was to examine the association between the above variables. The research was conducted in 165 health professionals working in hospitals in the region of Eastern Macedonia-Thrace and in the urban centers of Athens and Thessaloniki. The General Health Questionnaire (GHQ-28), the Fatigue Assessment Scale (FAS) as well as the Multidimensional Scale of Perceived Social Support (MSPSS) were used to measure the research variables. There was a high positive correlation coefficient between the GHQ-28 score and fatigue and statistically significant at the 0.01 level of significance. Negative correlation tool place between mental fatigue and social support with statistical significance. Measures are needed to increase the number of health professionals and organizational and structural measures to improve their working conditions and strengthen their social work.
Vaping E-Cigarette and Smoking Conventional Cigarettes are Associated with Depression Regardless of Gender, Race, and Ethnicity: Analysis of the Health Information National Trends Survey (HINTS) 2022
Authors:   Department of Urban Public Health, Charles R Drew University of Medicine and Science, Los Angeles, CA, Assari Shervin , Cobb Sharon ,   School of Nursing, Charles R Drew University of Medicine and Science, Los Angeles, CA
Published: April 2024

Background: While previous research has explored the bidirectional relationships between smoking, vaping, and depression, limited attention has been given to examining potential gender-, race-, and ethnic- specific patterns in these associations. Aims: This study aimed to investigate gender, race, and ethnic differences in the associations between smoking conventional and vaping e-cigarettes and depressive symptoms. Methods: Data from the Health Information National Trends Survey (HINTS–2022) survey were analyzed, including a representative sample (probability sample) of US adults. Variables of interest included smoking status, e–cig use, depression (PHQ-4), and demographic characteristics. Binary logistic regression models were employed to assess the association between smoking and e-cig use (current and ever), and depression overall, adjusting for covariates (age, education, marital status, and employment). Statistical Package for the Social Sciences (SPSS) software was used for data analysis, using univariate, bivariate, and multivariable models. We tested potential interactions between race, ethnicity, gender, and depression. Results: The study findings indicated significant associations between smoking, e-cig use, and depression. Individuals who were experiencing depression compared to those non-depressed were more likely to use conventional (p<0.05) and e-cig (p<0.05). However, no significant interactions were found for gender, race, or ethnicity. Conclusions: This study suggests that the association between smoking, e-cig use, and depressive symptoms is not different by race, sex, and gender. These findings contribute to the existing literature, emphasizing the need for universal approaches to promote mental health as a tool to help individuals quit smoking and vaping, regardless of their gender, ethnicity, and race.
Ultrafast dynamics of fluorene initiated by highly intense laser fields
Authors: Garg Diksha , Chopra Pragya , Lee Jason W. L. , Tikhonov Denis , Kumar Sonu , Akcaalan Oender , Allum Felix , Boll Rebecca , Butler Alexander A. , Erk Benjamin , Gougoula Eva , Gruet Sébastien P. , He Lanhai , Heathcote David , Jones Ellen , Kazemi Mehdi M. , Lahl Jan , Lemmens Alexander K. , Liu Zhihao , Loru Donatella , Maclot Sylvain , Mason Robert , Merrick James , Müller Erland , Mullins Terry , Papadopoulou Christina C. , Passow Christopher , Peschel Jasper , Plach Marius , Ramm Daniel , Robertson Patrick , Rompotis Dimitrios , Simao Alcides , Steber Amanda L. , Tajalli Ayhan , Tul-Noor Atia , Vadassery Nidin , Vinklarek Ivo S. , Techert Simone , Küpper Jochen , Rijs Anouk M. , Rolles Daniel , Brouard Mark , Bari Sadia , Eng-Johnsson Per , Vallance Claire , Burt Michael , Manschwetus Bastian , Schnell Melanie
Published: April 2024

We present an investigation of the ultrafast dynamics of the polycyclic aromatic hydrocarbon fluorene initiated by an intense femtosecond near- infrared laser pulse (810 nm) and probed by a weak visible pulse (405 nm). Using a multichannel detection scheme (mass spectra, electron and ion velocity-map imaging), we provide a full disentanglement of the complex dynamics of the vibronically excited parent molecule, its excited ionic states, and fragments. We observed various channels resulting from the strong-field ionization regime. In particular, we observed the formation of the unstable tetracation of fluorene, above-threshold ionization features in the photoelectron spectra, and evidence of ubiquitous secondary fragmentation. We produced a global fit of all observed time-dependent photoelectron and photoion channels. This global fit includes four parent ions extracted from the mass spectra, 15 kinetic-energy-resolved ionic fragments extracted from ion velocity map imaging, and five photoelectron channels obtained from electron velocity map imaging. The fit allowed for the extraction of 60 lifetimes of various metastable photoinduced intermediates.
Towards Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions
Authors: Wu Haoyang , Payne A. Mark , Pang Hao-Wei , Menon Angiras , Grambow Colin A. , Ranasinghe Duminda S. , Dong Xiaorui , Dana Alon Grinberg , Green William H.
Published: April 2024

Obtaining accurate enthalpies of formation of chemical species, Hf, often requires empirical corrections that connect the results of quantum mechanical (QM) calculations with the experimental enthalpies of elements in their standard state. One approach is to use atomization energy corrections (AECs) followed by bond additivity corrections (BACs), such as those defined by Petersson et al. or Anantharaman and Melius. Another approach is to utilize isodesmic reactions (IDRs) as shown by Buerger et al. We implement both approaches in Arkane, an open-source software that can calculate species thermochemistry using results from various QM software packages. In this work, we collect 421 reference species from the literature to derive Hf corrections, and fit AECs and BACs for 15 commonly used model chemistries. We find that both types of BACs yield similar accuracy, although Anantharaman and Melius-type BACs appear to generalize better. Furthermore, BACs tend to achieve better accuracy than IDRs for commonly used model chemistries, and IDRs can be less robust because of the sensitivity to the chosen reference species and reactions. Overall, Anantharaman and Melius-type BACs are our recommended approach for achieving accurate QM corrections for enthalpies.
Large Language Models Open New Way of AI-Assisted Molecule Design for Chemists
Authors: Ishida Shoichi , Sato Tomohiro , Honma Teruki , Terayama Kei
Published: April 2024

Recent advancements in artificial intelligence (AI)-based molecular design methodologies have offered synthetic chemists new ways to design functional molecules with their desired properties. While various AI-based molecule generators have significantly advanced toward practical applications, their effective use still requires specialized knowledge and skills concerning AI techniques. Here, we develop a large language model (LLM)-powered chatbot, ChatChemTS, that enables chemists to design new molecules using an AI-based molecule generator through only chat interactions, including automated construction of reward functions for the specified properties. Our study showcases the utility of ChatChemTS through de novo design cases involving chromophores and anticancer drugs (epidermal growth factor receptor inhibitors), exemplifying single- and multiobjective molecule optimization scenarios, respectively. ChatChemTS is provided as an open-source package on GitHub at https://github.com/molecule-generator-collection/ChatChemTS.
Nonergodic complex medium dynamics affecting protein electron transfer
Authors: Matyushov Dmitry
Published: April 2024

The standard description of long-range protein electron transfer anticipates an exponential decay of the reaction rate with the donor-acceptor distance due to decaying tunneling probability. In contrast, dynamical models of electron transfer predict a rate turnover to a plateau specified by the protein-water dynamics at shorter distances. The turnover distance is affected by the medium dynamics which is often complex, involving a number of relaxation times. The reaction time also specifies the time scale on which the medium dynamics can affect the reaction dynamics, thus imposing a nonergodic cutoff of the medium relaxation spectrum. The model presented here considers the effects of both the complex medium dynamics and the nonergodic dynamical constraints on the distance dependence of the reaction rate. Considering specific parameters of electron transfer in azurin, it shows that that the dynamical turnover disappears for fast reactions in the picosecond time domain due to nonergodic restrictions on the medium relaxation spectrum.
Machine learning photodynamics beyond the Frenkel exciton model: Intermolecular vibrations trigger ultrafast singlet fission in pentacene crystal
Authors: Li Zhendong , Hernández Federico , Salguero Christian , Lopez Steven , Crespo-Otero Rachel , Li Jingbai
Published: April 2024

Crystalline pentacene is a model solid-state light-harvesting material because its quantum efficiencies exceed 100% via ultrafast singlet fission (SF). The SF mechanism in pentacene crystals is unresolved due to insufficient electronic information in time-resolved experiments and intractable quantum mechanical calculations for simulating realistic crystal dynamics. We combine multiscale multiconfigurational approach and machine learning (ML) photodynamics to understand SF in pentacene crystals. Our simulations identify two competing SF channels in the herringbone and parallel dimers, underpinning the high efficiency of SF in pentacene crystal. The predicted SF time constants (61 and 33 fs) are in excellent agreement with experiments (78 and 35 fs). The trajectories highlight the essential role of intermolecular stretching between monomers in generating the multi-exciton state. The ML-photodynamics resolved the elusive interplay between electronic structure and vibrational relations in the SF dynamics, enabling fully atomistic excited-state dynamics for the solid state with multiconfigurational quantum mechanical calculations.
Europium-rich ternary phases with noble metals Eu2M2X (M = Pd, Pt; X = Al, Ga, Ge, Cd), and their structural relationship to the Laves phase Ca2Pt3Al1–xAgx
Authors: Ponou Simeon , Mudring Anja-Verena
Published: April 2024

The combination of divalent Eu with high magnetic moment and strong spin-orbit coupling (SOC) on Pd or Pt atoms in a single substance, makes Eu-Pd/Pt-X ternary phases attractive for materials with exotic physical properties. For that reason, compositions according to Eu2M2X (M = Pd, Pt; X = Al, Ga, Ge, Cd) were explored. X-ray diffraction analyses revealed that the three Pd analogues Eu2Pd2X with X = Al, Ga, and Ge, crystallize isostructural to Ca2Pd2Ge, a ternary ordered variant of the Zr2Al3-type (orthorhombic Fdd2). In contrast, Eu2Pt2Al adopts the Ca2Ir2Si type rival structure (monoclinic C2/c). The two structure types are closely related as they both feature linear chains of the noble metals, with the X atoms bridging the metal chains from adjacent layers. However, a striking difference is noticeable within the metal chains: The Pd linear chains consist of equidistant PdPd atoms (2.96 Å), whereas in the Pt chains are pairwise distorted with alternating shorter (Pt–Pt = 2.80 Å) and longer (2.98 Å) contacts. The pairwise distortion is, at first glance, is attributed to stronger relativistic influence on Pt atom. In addition, Eu2Pt2Cd, adopts the W2CoB2 type, suggesting that the valence electron count (vec) has strong influence in the structure selection. Finally, both Ca2Pd2Ge- and Ca2Ir2Si-type structures are also discussed as defect Laves phases in connection with the newly discovered phase Ca2Pt3Al1–xAgx (x = 0.13(1)) which adopts the TbFe2 type structure (space group R-3m). DFT first principles electronic band structure calculations, conducted on the Ag-free ordered model “Ca2Pt3Al”, suggested that Ag-inclusion is mainly due to geometric factors, while the chemical bonding picture is consistent with a polar intermetallic system.
Synergistic Photoredox/Palladium Catalysis Enables Enantioconvergent Cross-Electrophile Esterification with CO2
Authors: Liu Jiawang , Ye Bihai , Su Lei , Zheng kaiting , Gao Shen
Published: April 2024

Herein, we presented a synergistic catalytic system that utilizes 4CzIPN and (R)-L1/Pd(acac)2 as catalysts for an efficient and enantioconvergent synthesis of axially chiral esters from racemic heterobiaryl bromides and alkyl bromides with CO2 under mild conditions. A wide range of axially chiral esters, featuring various functional groups, were obtained through this novel methodology in good to high yields with excellent enantioselectivities. Detailed mechanistic studies unveiled that the ratio of 4CzIPN/[Pd/(R)-L1] significantly influences the chemo- and enantioselectivity of the reaction. Kinetic studies and control experiments supported the proposed mechanism involving cascade asymmetric carboxylation followed by SN2 substitution. Achieving high enantioselectivities relies not only on the choice of synergistic metallaphotoredox catalysts but also on the utilization of alkyl bromides, which trap the generated chiral carboxylic anions in situ, preventing their immediate racemization.
The effectiveness of using the two strategies of blended learning and flipped learning in the achievement of the tenth-grade high school students in the subject of Kurdish grammar.
Authors: Sarhan Heevy , Nabi Mawlood
Published: April 2024

The aim of the research is to identify the effectiveness of using the blended learning and flipped learning strategies in the achievement of the tenth-grade high school students in the subject of Kurdish grammar. The research community included tenth grade students from literary classes in day high schools for girls. There were (3319) students from the Semel Education Directorate in Semel district for the academic year (2021 – 2022). The sample included (81) students from (Shanaz for girls) and (Kumata for girls) high schools which were selected methodically. The participants for both the experimental and control groups were chosen randomly. The first experimental group consisted of (30) students, while the second experimental group consisted of (30) students from (Kumata high school for girls). On the other hand, the control group consisted of (21) students from (Shanaz high school for girls). The first experimental group used the blended learning strategy and the second experimental used the flipped leaning strategy, and the control group were using the usual method. The researchers prepared (8) daily plans for each method. The achievement test also included (35) ideas of multiple choiceand true and false questions. The validity of the test was extracted, analysis of variance for the test items and the level of difficulty for the test items, the discriminatory power of the test items, the effectiveness of the wrong alternatives, the duration of the test, and the stability of the test were calculated according to the equation (Kiodor- Richardson-20) of (0.90).  After a full course, the experiment was completed. The researchers applied the tool, extracted data, and conducted statistical analysis using one-way analysis of variance (one-way ANOVA) and the Scheffe test. The results indicated that the blended learning strategy was more effective in academic achievement compared to both the flipped learning strategy and the usual method. Additionally, the flipped learning strategy showed greater effectiveness in academic achievement compared to the usual method.
The Multifaceted Field of Virtual Exchanges in Teacher Education: A Literature Review
Authors: Ingrisch-Rupp Claudia , Symeonidis Vasileios
Published: April 2024

Virtual exchanges can be seen as a powerful tool in fostering digital- pedagogical, intercultural, and foreign language competences in teacher education. Since the Covid-19 pandemic in 2020, virtual exchanges in teacher education have gained increasing attention both in research and practice. Despite a growing number of publications and various fields and themes covered by research and reports, few publications are concerned with connecting and systematising the discourse on virtual exchanges between 2020-2023. This paper, thus, aims to offer a comprehensive overview of how virtual exchanges are employed in teacher education by adopting a scoping study approach and examining research papers published in this period of time. Our findings cover the planning, implementation, and evaluation of virtual exchanges, as well as some overarching recommendations for improving the delivery of virtual exchanges in teacher education as they are provided in the research papers. Virtual exchanges in teacher education are a multifaceted field since it has multiple aims, usages, and impacts, which largely depend on the (mostly voluntary) work of teacher educators, the institutional framework within which the exchanges take place, and student teachers’ motivation to participate. The future of virtual exchanges in teacher education would benefit by opening up beyond foreign language teacher education and combining small-scale with large-scale studies to better inform research and practice.
Pengaruh keterampilan menjual, perilaku penjualan adaptif dan orientasi pelanggan terhadap kinerja tenaga penjualan
Authors: Nufuz Ananur Khayatun , Graciafernandy Maria Augustine
Published: April 2024

Penelitian ini dilakukan untuk menguji secara empiris pengaruh keterampilan menjual, perilaku penjualan adaptif dan orientasi pelanggan terhadap kinerja tenaga penjualan. Kinerja tenaga penjualan yang baik dapat menguntungkan perusahaan. Hal itu dikarenakan apabila tenaga penjual dapat mencapai target penjualan yang tinggi maka keuntungan yang didapat akan tinggi juga. Metode penelitian yang digunakan adalah metode penelitian kuantitatif, dengan populasi yang terdiri dari staff tenaga penjualan pada perusahaan asuransi jiwa di Kota Semarang. Sampel penelitian terdiri dari 100 responden yang dipilih melalui teknik sampling jenuh. Dalam penelitian ini melakukan pengumpulan data melalui kuisioner google form dan analisis data menggunakan SPSS versi 25, analisis data menggunakan Partial Least Square (PLS). Hasil penelitian ini menunjukkan bahwa, kemampuan menjual berpengaruh positif dan signifikan terhadap kinerja tenaga penjualan, perilaku penjualan adaptif berpengaruh positif dan signifikan terhadap kinerja tenaga penjualan dan orientasi pelanggan berpengaruh positif dan signifikan terhadap kinerja tenaga penjualan.

This study was conducted to empirically examine the influence of selling skills, adaptive selling behavior, and customer orientation on sales force performance. Good sales force performance can benefit the company because if sales personnel can achieve high sales targets, the profits obtained will also be high. The research method used was quantitative research, with the population consisting of sales staff at life insurance companies in the city of Semarang. The research sample consisted of 100 respondents selected through saturation sampling techniques. Data collection in this study was conducted through a Google Forms questionnaire, and data analysis was performed using SPSS version 25, with data analysis using Partial Least Squares (PLS). The results of this study indicate that selling skills have a positive and significant influence on sales force performance, adaptive selling behavior has a positive and significant influence on sales force performance, and customer orientation has a positive and significant influence on sales force performance.
Co-occurrence and exposure assessment of deoxynivalenol and fumonisins from
maize and maize-based products in Indonesia
Authors: Shantika Z.R. , Rahayu W.P. , Lioe H.N.
Published: April 2024

This study was conducted to investigate the co-occurrence of deoxynivalenol (DON) and
fumonisins (FBs) in maize-based food products and their dietary exposure to the
Indonesian population. A survey of 45 samples of maize and maize-based-food products
collected from markets in Indonesia were analyzed using liquid chromatography-mass
spectrometry after a Quick Easy Cheap Effective Rugged Safe (QuEChERS) extraction
and clean-up process. Results revealed that 35.56% of maize food products were found to
contain DON and FBs simultaneously. FBs frequently detected in 84.44% of samples and
DON was found in 42.22% of the samples with mean positive levels ranging from 0.12 to
264.24 µg/kg (FBs) and 2.62 µg/kg to 122.28 µg/kg (DON). None of the quantifiable
samples exceeded the maximum limits established by the European Commission (EC) and
National regulation. The highest total means exposure to DON and FBs was found in
infants and toddler attaining up to 0.025 and 0.087 µg/kg body weight (bw) per day while
95th percentile (P95) values were 3.8 and 4.4 times higher than the mean exposure. Both
for DON and FBs, total mean and P95 exposures of the population did not exceed the
provisional maximum tolerable daily intake (PMTDI) of 1 µg/kg bw/day for DON and 2
µg/kg bw/day for FBs, respectively. Therefore, the risk assessment indicates that there is
no potential risk to health from DON and FBs through maize and maize-based food
intake.
Application, Development, and Innovation of Educational Technology in the New Media Era
Authors: Wang Ning
Published: April 2024

With the development and progress of information technology, people have gradually entered the digital information age, and the Internet has become a platform for information dissemination and the development and proliferation of new media. Simultaneously, relying on the advancements in mobile Internet technology, new media has emerged as a crucial medium for communication. The integration of digital new media technology into education has introduced fresh characteristics and developmental trends to educational technology, providing education with corresponding opportunities for development and innovation. The extensive adoption and dissemination of computer technology have propelled the amalgamation and advancement of new media technology and educational technology. This paper examines how Chinese college instructors apply, develop, and innovate educational technology in the era of new media, and explores methods to enhance educational technology.
Mentorship and the Advancement of Black Women in Higher Education
Authors:   , Choice Kieshauna
Published: April 2024

The educational journey for Black women scholars can be plagued by a lack of support and guidance, various forms of discrimination, and oppressive systemic practices. These challenges create barriers in accessing key resources such as mentorship, which is a powerful tool in helping Black females thrive within the academy. Although scholarship shows mentorship happening at both formal and informal levels, it is still unclear how Black female doctoral students are accessing mentorship within Predominately White Institutions. The purpose of this study is to provide insight into how Black female doctoral students are accessing mentorship while being a gendered and racially minoritized population. For this study, a qualitative, phenomenological design was employed using the theoretical frameworks of Culturally Responsive Mentoring and Black Feminist Thought. Data collection involved semi-structured 45–60-minute one-on-one interviews with twelve Black women engaged in doctoral work identified through purposeful, snowball sampling. Research question one, How do Black female doctoral students access mentorship in Predominately White Institutions? The findings of this study reveal that each participant was resilient in seeking out mentorship, and each participant had an awareness of its importance and its role in helping them to successfully complete their doctorate. Research question two, In what ways does mentorship appropriately meet the individual needs of Black female doctoral students at Predominately White Institutions? Participants shared that the dissertation journey has a variety of stages which require different types of support, support that cannot be provided by one person. Multiple mentors who specialize in different areas are needed to provide richness and to add value while guiding a student’s doctoral work.