bluuebunny/crossref_metadata_2025 huggingface dataset:
Methodology of the project-seminar on the stories of A. Chekhov
Authors: Демиденко Т.Г. , Федорова Е.Л.
Published: April 2023

В статье предлагается технология организации практических занятий по родной литературе для студентов колледжей в форме проекта-семинара. Работа над проектом на занятиях по родной литературе помогает развить у студентов навыки коммуникации, самостоятельной работы с информацией, способствует развитию творческих способностей. Эффективность данной формы интерактивной технологии обосновывается повышением интереса к изучаемой дисциплине, мотивации к учебной деятельности, активизации творческого и критического мышления. Важной особенностью проекта-семинара является то, что студенты могут использовать все возможности интерактивной формы работы для раскрытия своего творческого потенциала, почувствовать удовольствие от процесса сотворчества в условиях творческой свободы. Представлена методика организации проекта-семинара по рассказам Чехова А.П.: «Любовь», «Душечка», «Попрыгунья». Для работы над проектами выбраны рассказы писателя, посвящённые теме любви. В статье приведены методические рекомендации по организации занятия, сформулированы цели, задачи, иллюстрируются основные этапы, предложены вопросы для обсуждения. Проект-семинар как форма работы мотивирует студентов к внимательному прочтению текстов, активному диалогу, учит анализировать художественный текст, отстаивать свою точку зрения, развивает критическое мышление, навыки исследовательской работы, работы в команде.

The article suggests a technology of organising practical classes in native literature for college students in the form of a project and seminar. Working on a project in native literature classes helps students to develop the skills of communication and independent working with information, as well as encourages creativity developing. The efficiency of this form of interactive technology is substantiated with raising interest to the discipline being studied, class activity motivation, creative and critical thinking activation. An important particularity of the project and seminar is the ability for students to use all the options of interactive work form to unleash their creativity, as well as enjoy the process of co-creation under the conditions of creative freedom. The represented methodology is for organising a project and seminar after some stories by A.P. Chekhov: “Love”, “The Darling” and “The Grasshopper”. The writer’s stories devoted to the love theme were chosen for working on the projects. The article provides methodological recommendations on organising a class, formulates goals and objectives, illustrates the main stages, and suggests issues to be discussed. As a form of work, a project and seminar motivates students to read texts attentively and make active dialogues, as well as teaches to analyse a literary text and stand their ground, and also develops critical thinking, the skills of research work and working in a team.
Post-Harvest Fungi of Vitellaria paradoxa and Parkia biglosa in Chad Republic and Bioactivity of Natural Products against Some Pathogenic Fungi
Authors:   Research Unit of Phytopathology and Agricultural Zoology, Department of Crop Sciences, Faculty of Agronomy and Agricultural Sciences (Box 222 Dschang), University of Dschang, Cameroon, FJ Djeugap , HD Labassou ,   Research Unit of Phytopathology and Agricultural Zoology, Department of Crop Sciences, Faculty of Agronomy and Agricultural Sciences (Box 222 Dschang), University of Dschang, Cameroon, ES Essomo ,   Department of Crop Sciences, Faculty of Agronomy and Agricultural Sciences (Box 222 Dschang), University of Dschang, Cameroon, MA Sonkoue ,   Research Unit of Environmental and Applied organic chemistry Research, Department of Chemistry, Faculty of (Box 67 Dschang) Science, University of Dschang, Cameroon, S Serferbe ,   Research Unit of Applied Botany, Department of Plant Biology, Faculty of Science (Box 67 Dschang), University of Dschang
Published: April 2023

In Chad Republic, kernels/grains of Vitellaria paradoxa and Parkia biglobosa are two Edible Non-Timber Forest Products (ENTFP) with high economic value. These products are colonized by un-identified post-harvest fungi that are responsible for high post-harvest losses. The objective of the study was to contribute to the management of the post-harvest diseases of kernels of V. paradoxa and P. Biglosa through natural products. To achieve this, post-harvest fungi were isolated from infected kernels and their pathogenicity tested. Then, antifungal activity of Essential Oil (EO) of Thymus algeriensis and crude extract of African panaxia was carry out by the dispersion method on the agar medium on four pathogenic fungi isolated from the two infected ENTFP. Results showed that V. paradoxa kernels were highly infected (77-95%) compared to P. biglobosa (0.6-2.6%). Fungal species frequently associated with V. paradoxa and P. Biglobosa kernels were: Aspergillus niger (46%), Rhizopus nigricans (17%), Oidium sp (22%) and Cercospora sp (8%); and Oidium sp (55%), A. niger (18%), A. flavus (18%) and Cercospora sp (6%) in V. paradoxa and P. biglobosa respectively. Pathogenicity test was positive with all the species belonging to the genus Aspergillus and with Oidium sp. Essential oil of T. vulgaris at 1.5 �l/ml and the crude extract of African panaxia at 120 �g/ml totally inhibited the growth of the four potential mycotoxigenic fungi tested; their efficacy were significantly comparable (p<0.05) to the reference fungicide (Terazeb). In vivo control of post-harvest diseases with these two natural products is being carry out.
A Case of Spinal Cord Injury Caused By Electrical Stimulation of Thoracic Spinal Cord for Treatment of Diabetic Foot
Authors:   Department of Neurosurgery, Shengjing Hospital of China Medical, University, Shenyang, China, PB Zhou , M Bao ,   Department of Neurosurgery, Shengjing Hospital of China Medical, University, Shenyang, China
Published: April 2023

The thoracic Spinal Cord Stimulator (SCS) has been widely accepted as a treatment option for diabetic foot and is gaining acceptance. This case highlights a previously unreported potential complication of the SCS. A 66-year-old man had long-standing diabetes (30 years) and hypertension (10 years), accompanied by diabetic foot and generalized psoriasis. The patient reported pain in the bilateral lower extremities, especially in both feet, which was significant at night and when walking. His Visual Analog Scale (VAS) pain score was 10/10. The pain was accompanied by slight numbness without sensory disturbance. These symptoms gradually exacerbated over 2 months. His Quality of Life Scale (QOLS) score was 186, and the skin temperature of both his feet decreased at rest. Following conservative treatment elsewhere, the abovementioned symptoms remained refractory; the patient presented to our hospital for further treatment. SCS was implanted on June 6, 2021 for pain relief.
Disruption of the FMN-A524 interaction cascade and Glu513 induced collapse of the hydrophobic barrier promotes light induced Jα-helix unfolding in AsLOV2
Authors: Arshi Syeda Amna , Chauhan Manisha , Sharma Amit
Published: April 2023

The C terminal Jα-helix of the Avena Sativa’s Light Oxygen and Voltage (AsLOV2) protein, unfolds on exposure to blue light. This characteristic seeks relevance in applications related to engineering novel biological photoswitches. Using Molecular Dynamic (MD) simulations and the Markov State Modeling (MSM) approach we provide the mechanism that explains the stepwise unfolding of the Jα-helix. The unfolding was resolved into seven steps represented by the structurally distinguishable states distributed over the initiation and the post initiation phases. Wherein, the initiation phase occurs due to the collapse of the interaction cascade FMN-Q513-N492-L480-W491-Q479-V520-A524, the onset of the post initiation phase is marked by breaking of the hydrophobic interactions between the Jα-helix and the Iβ-sheet. This study indicates that the displacement of N492 out of the FMN binding pocket, not necessarily requiring Q513, is essential for the initiation of the Jα-helix unfolding. Rather, the structural reorientation of Q513 activates the protein to cross the hydrophobic barrier and enter the post initiation phase. Similarly, the structural deviations in N482, rather than its integral role in unfolding, could enhance the unfolding rates. Further, the MSM studies on the wild type and the Q513 mutant, provide the spatio-temporal roadmap that layout the possible pathways of structural transition between the dark and the light states of the protein. Overall, the study provides insights useful to enhance the performance of AsLOV2 based photoswitches.
Understanding the Dielectric Relaxation of Liquid Water Using Neural Network Potential and Classical Pairwise Potential
Authors: Ryu Jae Hyun , Yu Ji Woong , Yoon Tae Jun , Lee Won Bo
Published: April 2023

Understanding the role of hydrogen bond networks in determining the relaxation dynamics is essential for understanding natural phenomena in liquid water. Classical pairwise additive models have been widely utilized for elaborating the underlying mechanism behind the relaxation phenomena. However, they have shown their limits due to either the absence or inaccurate descriptions of many-body and medium-to-long-range interactions. This work demonstrates that the Deep Potential Molecular Dynamics (DPMD) model help calculate the dielectric relaxation at the accuracy of the first-principles simulations. The DPMD model outperforms the classical force field (SPC/Fw) in predicting dielectric spectra. Analyzing the simulation results, we discover that the improvement does not stem from accurately representing the tetrahedral order. Instead, including inherent many-body interactions and intramolecular dynamics makes water molecules adapt to their local environments, lowering the potential energy barrier of reorientation.
109Ag NMR Chemical Shift as a Descriptor for Brønsted Acidity in Molecules and Materials
Authors: Hansen Colin , Docherty Scott R. , Cao Weicheng , Yakimov Alexander V. , Copéret Christophe
Published: April 2023

A series of silver N-heterocyclic carbene (NHC) complexes of general structure [(NHC)AgX] are synthesized and characterized. Nuclear magnetic resonance (NMR) studies show that the 109Ag NMR chemical shift of the series correlates with the Brønsted acidity of the conjugate acid of X- (i.e., HX), thus establishing an acidity scale based on 109Ag NMR chemical shift. The methodology is then applied to the analysis of the Brønsted acidity of oxide materials relevant to heterogeneous catalysis using Dynamic Nuclear Polarization (DNP-)enhanced solid-state NMR spectroscopy, showcasing a novel methodology to evaluate Brønsted acidity of catalyst supports and materials.
Modification of 3D-printed PLA structures using Photo-iniferter RAFT Polymerization: Toward on-demand antimicrobial water filters
Authors: Lehnen Anne-Catherine , Hanke Sebastian , Schneider Matthias , Radelof Charlotte , Perestrelo Joana , Reinicke Stefan , Reifarth Martin , Taubert Andreas , Arndt Katja M. , Hartlieb Matthias
Published: April 2023

Water filtration is an important application field to ensure the accessibility of clean drinking water. As requirements and contaminants vary on a local level, adjustable filter devices and their evaluation with contaminants are required. Within this work we design modular filter devices featuring an adjustable surface functionalization. For this purpose, we create 3D-printed structures fabricated of bio-based poly(lactic acid) (PLA) that are manufactured by extrusion printing. The surface of PLA is activated with amino groups that are used to install xanthates as chain transfer agents (CTA)s. Subsequently, photo-iniferter (PI)-RAFT polymerization is used to create cationic polymer brushes on the surface of PLA substrates. The polymerization is first optimized in solution and then transferred to the interface of 3D-printed devices. Multiple surface characterization techniques are employed to prove successful growth of polymer brushes on PLA. The degree of polymerization of cationic polymers is varied and found to influence the interaction of the interface with planktonic bacteria. After initial optimization studies on flat surfaces, filter devices are printed, functionalized, and used to remove bacteria from contaminated water. Significant reduction of microorganisms is detected after filtration (single filtration or cycling) and contaminating organism could also be removed from freshwater samples by simple incubation with a 3D-printed filter. The herein developed setup for producing functional filter devices and probing their performance in affinity filtration is a useful platform technology, enabling the implementation of polymer brushes for such applications. The combination of additive manufacturing and the modularity of the surface functionalization reaction enables rapid adjustability of the system.
Quantifying the Limits of Methane Activation in Cu-exchanged Zeolites using Reactive and Interpretable Machine Learning based Potentials
Authors: Guo Jiawei , Sours Tyler , Holton Sam , Sun Chenghan , Kulkarni Ambarish
Published: April 2023

Natural gas remains an essential energy source for the industrial and residential sectors. However, selective valorization of methane (the main component of natural gas) into more mobile liquid energy carriers such as methanol remains challenging. Inspired by pMMO enzymes, many recent studies have examined Cu-exchanged zeolites as promising catalysts, specifically through [CuOCu]2+ sites. These efforts, in part, have been motivated by the possibility of finding an elusive “Goldilocks” active site or topology that can outperform known catalysts while also maintaining selectivity towards methanol. As large-scale experiments with 1000s of material variations are impossible, theory will likely play an important role. Although computational screening studies are now routine for metals and alloys, similar studies for zeolites are not as straightforward due to the diversity of local chemical environments, and the aforementioned studies are not trivial using the traditional density functional theory (DFT)-based approach. Therefore, the overarching goal of this study is to leverage large-scale DFT calculations to develop a reactive machine learning-based potential (rMLP) capable of systematically sampling the stability and reactivity of all [CuOCu]2+ sites within a representative set of zeolites. Specifically, using methane activation as a prototypical example of an industrially relevant zeolite-catalyzed reaction, we have developed a novel multistage active learning algorithm that preferentially samples the potential energy surface of the system near the transition state of methane activation. We show that the resulting rMLP replaces the expensive DFT-based NEB calculations without any appreciable loss in accuracy (within 0.07 eV of the DFT computed energy barriers) – we evaluate C-H bond activation energies for 5,400 distinct sites across 52 zeolites and obtain 3,356 valid sites suitable for methane activation. By replacing the expensive DFT-based NEB calculations with rMLPs, we now report an exhaustive high-throughput screening study of thousands of [CuOCu]2+ sites in zeolites, comparing the maximum rates of methane activation across 52 zeolite topologies and more than 3,000 sites. To the best of our knowledge, this work represents the first example of using reactive MLPs to identify the transition state geometries and screen the catalytic performance of thousands of zeolite-based active sites at DFT accuracies.
Magnesium(I) Reduction of Aluminum(III) Hydride Complexes: Generation of Mixed Valence Aluminum (AlI/Al0) Hydride Cluster Compounds, [Al6H8(NR3)2{Mg(-diketiminate)}4]
Authors: Mullassery Sneha , Yuvaraj K. , Dange Deepak , Jones Dafydd , del Rosal Iker , Piltz Ross , Edwards Alison , Maron Laurent , Jones Cameron
Published: April 2023

Reduction of a range of amido- and aryloxy-aluminum dihydride complexes, e.g. [AlH2(NR3){N(SiMe3)2}] (NR3 = NMe3 or N-methylpiperidine (NMP)), with -diketiminato dimagnesium(I) reagents, [{(ArNacnac)Mg}2] (ArNacnac = [HC(MeCNAr)2]-, Ar = mesityl (Mes) or 2,6-xylyl (Xyl)), have afforded deep red mixed valence aluminum hydride cluster compounds, [Al6H8(NR3)2{Mg(ArNacnac)}4], which have an average Al oxidation state of +0.66, the lowest for any well-defined aluminum hydride compound. In the solid-state, the clusters are shown to have distorted octahedral Al6 cores, having zero-valent Al axial sites and mono-valent AlH2- equatorial units. Several novel by-products were isolated from the reactions that gave the clusters, including the Mg‒Al bonded magnesio-aluminate complexes, [(ArNacnac)(Me3N)Mg‒Al(-H)3[{Mg(ArNacnac)}2(-H)]]. Computational analyses of one aluminum hydride cluster revealed its Al6 core to be electronically delocalized, and to possess one unoccupied, and six occupied, skeletal molecular orbitals.
Machine-learning prediction of exciton binding energies in two-dimensional materials for photonics application
Authors: Lin Zhengliang , Liu Jingze , Hsiao Kristine , Chen Xi
Published: April 2023

Density functional theory (DFT) is a ubiquitous first-principles method, but the approximate nature of the exchange-correlation functional poses an inherent limitation for the accuracy of various computed properties. In this context, surrogate models based on machine learning have the potential to provide a more efficient and physically meaningful understanding of electronic properties, such as the exciton binding energy. Here, we construct a regression model based on gradient boosting on decision trees (CatBoost) for prediction of the exciton binding energy of 2D materials from simple physical descriptors, using the Computational 2D Materials Database (C2DB). Out of 22 atomic features, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels exhibit the highest importance scores, with HOMO having a much more important role compared to other features. We obtain a R2 value of 0.8023 and mean absolute error of 0.2138 eV using the top 9 features. Our work presents a rapid and interpretable prediction model for exciton biding energy with high fidelity to DFT and can be extended beyond the C2DB dataset considered in this study.
Selective oxidation of methane to methanol over Au/H-MOR
Authors: Wang Wangyang , Zhou Wei , Tang Yuchen , Cao Weicheng , Docherty Scott R. , Wu Fangwei , Cheng Kang , Zhang Qinghong , Copéret Christophe , Wang Ye
Published: April 2023

Selective oxidation of methane to methanol by molecular oxygen is a fascinating route for upgrading abundant methane resource and represents one of the most challenging reactions in chemistry due to the overwhelmingly higher reactivity of the product versus the reactant. Here, we report that monometallic gold nanoparticles loaded on mordenite zeolite efficiently catalyze the selective oxidation of methane to methanol by molecular oxygen in the presence of carbon monoxide in aqueous medium. The methanol productivity reaches 1300 μmol gcat−1 h−1 or 280 mmol gAu-1 h-1 with 75% selectivity at 150 °C, outperforming most of those reported under comparable conditions. Both hydroxyl radicals and hydroperoxide species participate in the activation and conversion of methane; the lower affinity of methanol on gold mainly accounts for higher methanol selectivity.
Morphological plasticity of LiCl clusters interacting with Grignard reagent in tetrahydrofuran
Authors: de Giovanetti Marinella , Eisenstein Odile , Cascella Michele
Published: April 2023

Ab initio molecular dynamics simulations are used to explore tetrahydrofuran (THF) solutions containing pure LiCl, and LiCl with CH3MgCl, as model constituents of the turbo Grignard reagent. Solvated LiCl aggregates as Li4Cl4, which preferentially assumes compact cubane-like conformations. In particular, an open-edge pseudo tetrahedral frame is promoted by solvent-assisted Li-Cl bond cleavage. Among the various Grignard species produced by the Schlenk equilibrium, LiCl shows clear preference for MgCl2, combining with it through μ2-Cl bridges. Using a 1:1 Mg:Li ratio, the highly plastic tetranuclear LiCl cluster decomposes to a highly solvated mixed LiCl:MgCl2 aggregate with prevalent Li-(μ-Cl)2-Mg rings and linear LiCl entities. The MgCl2 assisted disaggregation of Li4Cl4 occurs through transient structures analogous to those detected for pure LiCl in THF, which also correspond to various moieties observed in the solid state. This study identifies a synergistic role of LiCl for the determination of the compounds present in turbo Grignard solutions, in a scenario where LiCl shifts the Schlenk equilibrium promoting a higher concentration of strongly reactive dialkylmagnesium, meanwhile decomposing into smaller, more soluble, and putatively more active mixed Mg:Li:Cl clusters.
AL4GAP: Active Learning Workflow for generating DFT-SCAN Accurate Machine-Learning Potentials for Combinatorial Molten Salt Mixtures
Authors: Guo Jicheng , Woo Vanessa , Andersson David , Hoyt Nathaniel , Williamson Mark , Foster Ian , Benmore Chris , Jackson Nicholas , Sivaraman Ganesh
Published: April 2023

Machine learning interatomic potentials have emerged as a powerful tool for bypassing the spatio-temporal limitations of ab initio simulations, but major challenges remain in their efficient parameterization. We present AL4GAP, an active learning software workflow for generating multi-composition Gaussian approximation potentials (GAP) for arbitrary molten salt mixtures. The workflow capabilities includes: (1) setting up user-defined combinatorial chemical spaces of charge neutral mixtures of arbitrary molten mixtures spanning 11 cations (Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba and two heavy species, Nd and Th) and 4 anions (F, Cl, Br and I), (2) configurational sampling using low-cost empirical parameterizations, (3) ensemble active learning for down-selecting configurational samples for single point density functional theory calculations at the level of strongly constrained and appropriately normed (SCAN) exchange-correlation functional, and (4) Bayesian optimization for hyperparameter tuning of two-body and many-body GAP models. We apply the workflow to showcase high throughput generation of five independent GAP models for multi-composition binary-mixture melts, each of increasing complexity with respect to charge valency and electronic structure, namely: LiCl-KCl, NaCl-CaCl2, KCl-NdCl3, CaCl2-NdCl3 and KCl-ThCl4. Our results indicate that GAP models, can accurately predict structure for diverse molten salt mixture with DFT-SCAN accuracy, capturing the intermediate range ordering characteristic of the multi-valent cationic melts.
Survey of Oral Manifestation of Covid-19 in Medical Specialties in Sulaimaniyah City Hospitals
Authors:   Ministry of Health , Sulaimaniyah , Iraq, Ali M Amin Sangin , Mohamed Ahmed Khadija
Published: April 2023

Background: The coronavirus disease 2019 is a serious infection resulting in a global threat caused by coronavirus 2 (SARS-CoV-2) characterized by different symptoms, ranging from mild flu to severe pneumonia. Objective: To focus on the oral manifestations which could be present in some cases of COVID-19 and to assess the associations between oral health and COVID19. Patients and Methods: An online questionnaire survey was performed on188 medical specialists in Sulaimaniyah city. The questionnaire was composed of 3 parts; the 1st part included demographic features. The 2nd part was composed of questions concerning the oral hygiene condition of the participants, and the 3rd section encompassed questions about oral complications during infection with COVID-19. Results: Among 188 participants, 92% complained of oral manifestation while being infected with Covid-19 at significant levels. Facial and masticatory muscle pain 27.1%, facial or oral numbness 8%, jaw bones or joint pain 39.9%, changes in buccal mucosa and gingiva 10.1%, bleeding gingivitis 9%, Altered taste sensation 67.6%, altered smell sensation 69.1% and xerostomia 54.8% were highly associated with Covid-19. Conclusion: Some cases of Covid-19 usually present with different oral manifestations. Therefore, oral care monitoring should be enhanced for Covid-19 patients and maintain good oral health.
Prevalence Rate of Rheumatoid Arthritis among Patients Attending Rheumatology Consultation Clinic at Baquba Teaching Hospital
Authors:   College of Medicine,  University  of Diyala , Diyala , Iraq, Kadhim  Rashid Muayad
Published: April 2023

Background: Rheumatoid arthritis (RA) is an inflammatory autoimmune disease that causes progressive and painful of multiple joints damage. Objective: To explore the prevalence of Rheumatoid arthritis (RA) among middle-aged and older of Iraqi patients attended the outpatients’ clinics. Patients and Methods: A prospective cross-sectional study was conducted from 1st February to 31st July 2022 at the rheumatology outpatient clinic at the Baquba teaching hospitals, Diyala province, Iraq. The eligible patients were interviewed using semi-structured questionnaires. Diagnosis of RA is based on clinical and serological parameters in accordance with criteria issued by American College of Rheumatology/European League Against Rheumatism (ACR/EULAR) guideline. Descriptive, bivariate, and logistic regression analysis was performed. All statistical analyses were performed using SPSS 16.0 software. P-value < 0.05 was considered statistically significant. Results: A total of 417 patients with an average age of 55.05 (+10.31) (ranged 40-79 years) have been included in the study. More than half were females (57.8%), married (74.3%), unemployed (67.9%), and 41.0% doctor-diagnosed arthritis. The prevalence of RA in adults was 0.96% compared to 2.34% in doctor-diagnosed arthritis group (females 1.75% vs. males 0.59%, P= 0.011). Results of the multiple logistic regressions showed that older age (odds ratio (OR) = 1.100, 95% CI: 1.070 to 1.130) was associated significantly with "doctor-diagnosed arthritis" (p < 0.001). The female patients (OR = 4.928, 95% CI: 2.826 to 8.593), single or had no spouse (unmarried, widow, divorce) (OR = 5.076, 95% CI: 2.742 to 9.396) and had diabetes mellitus (DM) (OR = 7.251, 95% CI: 4.247 to 12.378) were associated significantly with "doctor-diagnosed arthritis" (p < 0.001). Conclusion: With aging, the Iraqi females who have no spouse and suffer from diabetes mellitus become more vulnerable to symptomatic arthritis.
Evaluation of knowledge and Satisfaction among service recipient of (Integrated Management of Neonatal and Child Health Program) in Primary Health Care Centers in Baquba City
Authors:   Public Health Department of Diyala , Diyala, Iraq, Khalid Abdullah Mazin , Hussein Bahir Basim , Kahtan Oday
Published: April 2023

Background: Integrated Management of Neonatal and Child Health Program (IMNCH) is an approach to offering solid evidence. It is used as a strategy to draw national and international investment into many initiatives to improve child health because it is diagnostically superior to conventional routine practice. Objective: To assess the knowledge and satisfaction rate among Integrated Management of Neonatal and Child Health Program care takers. Patients and Methods: A cross sectional study was conducted in two sectors (The health care sector in baqubah first and second) that offers health services in Baquba city from 15th December 2015 to 1st of June 2016. A convenient sample of 150 cases were included in the study from the age of two month to five years. Data collected by special designed questionnaire that adopted from world health organization. Results: The result showed that 87.3 % of health providers prescribed oral medicine for child out of them 86.3% of service recipient know how many times day that should be given while 25.2% of them know how many days that should be given. oral rehydration solution was prescribed 31.3% of children majority of health takers 87.2% known quantity of water to maxed with one sachet of ORS Showed that 24.7% of service recipients bring back the child immediately to primary health care center when the child unable to drink or breast feed and 23% of service recipients bring back the child immediately when the child becomes sicker or develop fever or difficult breathing and 30%when the child breathing is fast or difficult breathing and 18% of service recipient were satisfied about care that provided for children while 82% of service recipients were not satisfied. Conclusion: The satisfaction rate of service recipients about the service that provided in primary heath care center in Baquba city were poor.
Association between Candida species and caries index in children
Authors:   College of Dentistry, Hawler Medical University, Erbil , Iraq, Dilshad Najeeb Venus , Ako Muhammad Aso , Mahmud Mustafa Alaa
Published: April 2023

Background: candida species is one of the most important opportunistic oral fungal flora that contributed to oral candidal infections. Recently some studies indicate the association between increased caries incidence in children with oral candidal carriage. Objective: To candida species is one of the most important opportunistic oral fungal flora that contributed to oral candidal infections. Recently some studies indicate the association between increased caries incidence in children with oral candidal carriage. Patients and Methods: Sixty-one children with ages 6 to 12 years , DMFT, dmft, and OHI-S were measured and oral swabs were tested on three different surfaces (lingual, occlusal, and buccal) then cultured on SDA as a primary medium, and selective medium on CHROMagar, also germ tube test was done and for more precision, pure colonies were identified up to species based on their carbohydrate assimilation pattern by the VITEK 2 compact Results: 22 (36.1%) children with candida carriage, C.albicans 12, (54%), C.dubliniensis 4,( 18.18%), C.krusei 4, (18.18%), C. tropicalis 2, ( 9.1%). There was no association between candidal species in the oral cavity and caries index (DMFT, dmft). Conclusion: Non-significant weak negative correlation appeared between candidal species in the oral cavity and caries index in children. The most predominant candidal species was C.albicans.
Detection of Vital Anatomical Landmarks in Lower Posterior Premolars and First Molar Area (BuccallyPositioned)During Different Surgical Intervention Using Cone Beam Ct Scan
Authors:   College of Medicine, University of Diyala , Diyala, Iraq, Hakiem Tawfieq Ali
Published: April 2023

Background: The mental foramen (MF) is a very important structure; to avoid any trauma to mental nerve may be occur and in order to avoid that, its position, variation in anatomy and shapes should be clearly determined before any surgical procedure. Objective: To detect the exact position of MF and thickness of cortical plates in lower premolars and first molars among the Iraqi resident. Patients and Methods: For this prospective study, a total of 92 Iraqi adults patients (51 females, 41 males; age range 18-69 years). From October 2020 to February 2021, patients aged range from 25 to 65 years old.Five types of classification we used: Type 1, MF under the root of the lower first premolar. Type 2, MF between the root of mandibular first & second premolar. Type 3, MF below the root of the mandibular second premolar. Type 4, MF between the root of lower second premolar & first molar. Type 5, MF below the root of the lower first molar. Bone thickness is measured in the horizontal direction on the both side lingually and buccally. Results: The most common situation of the MF was below the root of lower second premolar. Conclusion: Significant difference can be noted in the mean of the distance between MF and root apex in both gender, also significant difference in mean of bone thickness noted between both genders on both sides.
Prevalence of Obesity and Overweight among Staff at Technical Institute-Swaira in Middle Technical University
Authors:   Technical Nursing Department, Technical Institute-Suwaira, Middle Technical University , Iraq, Kadhim Jawad Ahmed , Abbas Okab Ammar
Published: April 2023

Background: Overweight and obesity defined as "abnormal or excessive fat accumulation that presents a risk to health". Obesity is the fifth among global causes of death. The rise in overweight and obesity among adult workers is a global public health concern. It's associated with a higher risk of type 2 diabetes, hypertension, coronary heart disease, stroke, and cancer, as well as increased healthcare expenditures, reduced job productivity, and lost of money. Objective: To assess the prevalence of overweight and obesity and to find out relation with some risk factors among staff at Technical Institute-Swaira in Middle Technical University. Patients and Methods: A descriptive cross-sectional study design carried out in Technical Institute-Swaira in Middle Technical University. Included (150) of staff selected. Sampling Technique to selection staff were random (probability sampling). The data collection by direct interview technique of researcher with each participant of staff from 5th November 2021 to 4th July 2022. Results: The study show socio-demographic characteristics. Regarding to staff age (31-40) years constituted the majority (38.0%). High percentage of participants were married (84.7%) and lower percentage were divorced (1.3%), BMI in the study population the high percentage were (42.0%) of participants overweight, BMI was highly significantly by practicing exercise (P= 0.000), significant differences in BMI with regular three meals a day and eat fast food (P= 0.01), (P= 0.03). Conclusion: This study found that a large number of participant were overweight or obese. BMI changes a lot with age. There were big differences in BMI between participant who worked out regularly and participant who ate three meals a day or fast food.
Evaluation of Efficacy and Safety of Combined Therapy of Melasma by using Azelic, Glycolic and Kojic Acid (Unitone and Neotone)
Authors:   College of Medicine , University of Diyala, Diyala, Iraq, Ahmed Hasan Intisar , Kh Ibrahim Al-Kayally Khudhair
Published: April 2023

Background: Melasma is one of the most common disorders of brown hyperpigmentation, which affect primarily the face and later on some other sites of the body , seen most commonly in women during the reproductive period and may seen in men . Many options are used in the treatment of melasma, most commonly: hydroquinone, tretenoin, corticosteroid, azelic acid, glycolic acid, kojic acid, triaximinic acid, ascorbic acid, intralesional glutathione, and lastly medical procedures, like: microdermabrasion, chemical peel, laser and light therapy. Objective: To evaluate the efficacy and safety of combined therapy (azelic, glycolic and kojic acids) in the treatment of melasma (UNITONE and NEOTONE) . Patients and Methods: A cross-sectional study in which (585) patients complaining of melasma (577 females and 8 males), their age ranged from (17-50) years, with a mean age of 46.15± years. Treated by application of azelic acid (20% cream) for two hours at night, then washed and followed by topical application of combined cream consisted of (5%) glycolic acid and (1%) kojic acid throughout the night and washed in the morning, with application of sun block of ≥50 SPF, and oral ascorbic acid (500mg) tablet twice in the morning and evening . Results: Out of 585, 98% was females with a mean age of (46.15±8) years. Eight percent of the patients of MAIS score-1, (22.05%) of score-2, (51.28%) of score-3 and (18.8%) of score-4. Regarding the response to therapy: (44.78%) of patients showed complete clearance of the disease, (48.85%) with good response, (1.7%) of poor response and (5.47%) showed relapse of the melasma after discontinuation of the therapy, and they were retreated by the same combined formula, (93.75%) of them cleared completely and (6.25%) showed good response. Ninety percent of patients developed a variable degree of irritation, erythema and burning sensation, at the beginning of the treatment and after (10-15) days, most of them tolerated the therapy. Conclusion: Combined therapy of azelic, glycolic and kojic acids was effective and safe in the treatment of melasma and this combination was superior and alternative to the ordinary and corner therapy of hydroquinone and corticosteroid.
Coseismic variations of Li in groundwaters from station 27 of the Kultuk polygon
Authors:   Institute of the Earth's Crust SB RAS, Chuvashova I.S. ,   Irkutsk State University, Ilyasova A.M. ,   Institute of the Earth's Crust SB RAS
Published: April 2023

Monitoring results of the thermophilic trace element element Li and related macrocomponents Cl and S in groundwaters from station 27 in the Kultuk polygon. The dependence of their variations on earthquakes and aftershocks of the 2020–2022 Baikal-Khubsugul reactivation is established. From Na/Li geothermometry, 234U/238U activity ratio, and 234U activity, groundwater sources in a deep reservoir with a temperature as high as 100 °C or more under crust stretching and those with a temperature as low as 8 °C under crust compression are designated. Phases of stabilization, increase and decrease in groundwater temperature are deciphered in the course of the development of a complete seismogeodynamic cycle of compression and extension of the crust.
Relationship between timing of earthquakes of the Baikal-Khubsugul reactivation and oxidation–redox potential in groundwaters from the Kultuk polygon
Authors:   Institute of the Earth's Crust SB RAS, Rasskazov S.V. ,   Irkutsk State University, Snopkov S.V. ,   Irkutsk State University,   Irkutsk National Research Technical University, Bornyakov S.A. ,   Institute of the Earth's Crust SB RAS
Published: April 2023

Timing of earthquakes is determined by an entry of active faults in the central part of the Baikal Rift System into a metastable (preseismic) state during the development of a complete seismogeodynamic cycle. Based on a role of fluid flows as possible triggers for seismogenic deformations, in determining earthquake timing of the Baikal-Khubsugul reactivation of 2020–2023, we take into account: 1) decreasing atmospheric pressure, 2) matching–mismatching mode of oxidation–redox potential (ORP) in different stations, and 3) overall ORP decreasing in groundwaters from monitoring stations of the Kultuk polygon.
Coseismic temporal variations of thermophilic element Si in groundwaters from the SW coast of Lake Baikal in 2012–2022
Authors:   Institute of the Earth's Crust SB RAS, Ilyasova A.M. , Snopkov S.V. ,   Irkutsk State University,   Irkutsk National Research Technical University
Published: April 2023

The results of monitoring concentrations of the thermophilic element Si in fresh subthermal and cold groundwaters from the Kultuk polygon with a temperature range at the output from ca. 0 to 20 °C are presented. A stepwise zonal increase in the Si concentration is recognized in groundwaters of the polygon centered at station 40. In this center of the Kultuk hydrothermal reservoir, the minimum temperature of 25 °С on September 17, 2014 (before the earthquakes of 2014–2015) and the maximum temperature of 60 °С on January 23, 2021 (11 days after the strongest Khubsugul earthquake Mw=6.8) is obtained using the chalcedony geothermometer. It is proposed that groundwater came from the deep Kultuk reservoir with elevated temperature during the strong Kultuk seismic reactivation (August 27, 2008 – January 04, 2011) and changed to those with a lower temperature during the weak Tolbazikha one (June 24, 2011 – October 11, 2012) reaching a temperature minimum by 2014. Then the inflow of groundwaters with elevated temperature was revived again during the preparation and implementation of the Baikal-Khubsugul seismic reactivation that was marked by strong earthquakes in 2020–2022.
Quantum, molecular and continuum modeling in nonlinear mechanics of viruses
Authors: Zolochevsky Alexander , Parkhomenko Sophia , Martynenko Alexander
Published: April 2023

Introdution. Viruses are a large group of pathogens that have been identified to infect animals, plants, bacteria and even other viruses. The 2019 novel coronavirus SARS-CoV-2 remains a constant threat to the human population. Viruses are biological objects with nanometric dimensions (typically from a few tens to several hundreds of nanometers). They are considered as the biomolecular substances composed of genetic materials (RNA or DNA), protecting capsid proteins and sometimes also of envelopes. Objective. The goal of the present review is to help predict the response and even destructuration of viruses taking into account the influence of different environmental factors, such as, mechanical loads, thermal changes, electromagnetic field, chemical changes and receptor binding on the host membrane. These environmental factors have significant impact on the virus.

Materials and methods. The study of viruses and virus-like structures has been analyzed using models and methods of nonlinear mechanics. In this regard, quantum, molecular and continuum descriptions in virus mechanics have been considered. Application of single molecule manipulation techniques, such as, atomic force microcopy, optical tweezers and magnetic tweezers has been discussed for a determination of the mechanical properties of viruses. Particular attention has been given to continuum damage–healing mechanics of viruses, proteins and virus-like structures. Also, constitutive modeling of viruses at large strains is presented. Nonlinear elasticity, plastic deformation, creep behavior, environmentally induced swelling (or shrinkage) and piezoelectric response of viruses were taken into account. Integrating a constitutive framework into ABAQUS, ANSYS and in-house developed software has been discussed. Conclusion. Link between virus structure, environment, infectivity and virus mechanics may be useful to predict the response and destructuration of viruses taking into account the influence of different environmental factors. Computational analysis using such link may be helpful to give a clear understanding of how neutralizing antibodies and T cells interact with the 2019 novel coronavirus SARS-CoV-2.
Dynamics of kidney disorders in children with juvenile idiopathic arthritis taking into account therapy resume
Authors: Bogmat Ludmila , Shevchenko Natalia , Nikonova Viktoria , Holovko Tetiana , Bessonova Iryna , Fadeeva Anastasia
Published: April 2023

Introduction. In the study of the course and consequences of rheumatic diseases much attention is paid to comorbid conditions that significantly affect the function of internal organs, including kidneys. According to the concept of cardiorenal ratios, even minor renal impairment can be an independent risk factor for cardiovascular events and death. Objective. To determine the features of functional disorders of the kidneys in children and adolescents with juvenile idiopathic arthritis (JIA), taking into account the nature of the disease and therapy. Materials and methods. 85 children (8–18 years) with JIA, oligo- (61.5 %) and polyarthritis (38.5 %), 63 girls and 22 boys were examined. The average duration of the disease was 84.13 ± 6.28 months. The study was conducted twice with an interval of one year. Determination of renal status included studies of urinary sediment, concentration and nitrogen excretion capacity of the kidneys (fluctuations in specific weight during the day, daily proteinuria, creatinine and urea in the blood, glomerular filtration rate (GFR)). Statistical processing of the material was performed using parametric (Student's t-test (p), Fisher's angular transformation) and non-parametric parameters (Wilcoxon-Mann-Whitney), correlation and regression analysis. Results. Changes in renal function did not depend on the sex of patients and included proteinuria (9.09 %), namely microalbuminuria, which occurred in all variants of arthritis; reduction of GFR (8.26 %) – only in polyarthritis and uveitis-associated variants. Comparison of the frequency of renal changes in patients with varying degrees of disease activity showed their absence in the inactive stage of JIA. With active inflammatory process functional disorders of the kidneys occurred from 16.67 % to 26.32 % of cases, regardless of the degree of activity One year later there are positive changes: increased glomerular filtration rate (p ≤ 0.05), a tendency to decrease serum creatinine (p ≤ 0.1) on the background of basic methotrexate therapy up to 15 mg/m2/week. The combination of methotrexate therapy with the anti-TNF immunobiological drug (adalimumab) showed greater efficacy in improving renal function, a significant increase in GFR (p ≤ 0.05), a decrease in serum creatinine (p ≤ 0.05) and proteinuria (р ≤ 0,05). Conclusions. Children with JIA have changes in renal function, more often with uveitis-associated arthritis and methotrexate over 15 mg/m2/week. The inclusion of immunobiological drugs in the treatment not only reduces the activity of the disease, but also reduces the risk of concomitant comorbid lesions of internal organs, including kidneys.
Determination of vestibular function in children with purulent otitis media
Authors: Lozova Iuliia
Published: April 2023

The aim of the study is to assess the vestibular function of children with acute purulent otitis media by computer static stabilometry compared with typically developed peers. Materials and methods. In the course of the study 52 children aged 4 to 7 were examined by static stabilometry on the device «MPFI Stabilograph 1» (Kharkiv, Ukraine). 22 of them were diagnosed with purulent otitis media and their 30 peers were found to be practically healthy. Indicators of variations and forms of pressure center distribution, spectral-correlation indicators of stabilograms, as well as integral indicators of stability (length, velocity and angle of postural oscillations) and quality of equilibrium function in two sensory states (open and closed eyes) calculated in StabiliS software were taken into account. Results. Purulent otitis media causes posterior displacement of absolute coordinates of the pressure center. In the state with closed eyes, children with purulent otitis differ from their healthy peers in 14 of 24 stabilometric parameters, including stabilogram length, speed, angle and amplitude of oscillations, inferior to them in the balance. Children with purulent otitis media are more sensitive to the visual canal of postural control than their peers. Involvement of visual afferents in postural control significantly improves balance in children with purulent otitis by reducing deviations, postural fluctuations, which is reflected in the probable changes of 9 out of 24 stabilometric parameters compared to control. Conclusion. In preschool age, purulent otitis media leads to latent vestibular dysfunction, which is manifested by a violation of the stability of the vertical posture with the closed eyes and is compensated by visual-vestibular-proprioceptive integration in postural control.