bluuebunny/crossref_metadata_2025 huggingface dataset:
Identification of LEAFY gene in longan involved in flower induction
Authors: Jue Dengwei , Li Zhexin , Tang Jianmin , Sang Xuelian , Guo Qigao
Published: September 2022

Backgroud: Flowering at the right time is a very important factor affecting the stable annual yield of longan. However, a lack of knowledge of the regulatory mechanism and key genes of longan flowering restricts the healthy development of the longan industry. Therefore, identifying the relevant genes and analyzing their regulatory mechanism are essential for scientific research and the development of the longan industry. Here, we isolated a LEAFY homologue gene from longan, DlLFY, and identified its function.
Results: DlLFY contains a 1167 bp open reading frame and encodes 388 amino acids. The amino acid sequence has a typical LFY/FLO family domain. DlLFY was expressed in all the tested tissues, expect for leaf, pericarp, and ulp, with the highest expression occurring in flower buds. The expression of DlLFY was significant upregulated at the early flower induction stage in “SX” (“Shixia”). The results of subcellular localization and transactivation analysis show that DlLFY is a kind of typical transcript factor with transcriptional activator. Moreover, overexpression of DlLFY in Arabidopsis promoted early flowering and restrained growth, resulting in reduced plant height and number and area of rosette leaves of transgenic plants. DNA affinity purification sequencing (DAP-Seq) analysis showed that 13 flower-related genes corresponding to five homologous genes of Arabidopsis may be the binding sites and putative target genes. Among these five flower-related genes, only AtTFL1 was strongly inhibited in transgenic lines.
Conclusion: Taken together, these results indicate that DlLFY plays a pivotal role in controlling longan flowering, possibly by negatively regulating TFL1.
Early Prediction of Lupus Disease: A Study on the Variations of Decision Tree Models
Authors: Singh Jagjiven Kaur Jasber , Ponnusamy Raja Rajeswari , Ling Elaine Chan Wan , Chin Lim Sern
Published: September 2022

Systematic Lupus Erythematosus (SLE) is an irreversible autoimmune disease that has seen to bring a lot of negative effect on the human body. It has become a very challenging task in predicting the prevalence of Lupus in patients. It has slowly gained popularity among many researchers to study the prevalence of this disease and developing prediction models that not only study the prevalence of the disease but is also able to predict suitable dosage requirements, treatment effectiveness and the severity of the disease in patients. All of these is usually done with medical records or clinical data that has different attributes related and significant to the analysis done. With the advancement in machine learning models and ensemble techniques, accurate prediction models have been developed. However, these models are not able to explain the significant contributing factors as well as correctly classify the severity of the disease. Decision Tree Classifier, Random Forest Classifier and Extreme Gradient Boosting (XGBoost) are the models that will be used in this paper to predict the early prevalence to Lupus Disease in patients using clinical records. The most significant factors affecting Systematic Lupus Erythematosus (SLE) will then be identified to aid medical practitioners to take suitable preventive measures that can manage the complications that arise from the disease. Hence, this paper aims to assess the performance of tree models by performing several experiments on the hyper parameters to develop a more accurate model that is able to classify Lupus Disease in patients in the early stages. Findings revealed that the best model was the Random Forest Classifier with parameter tuning. The most significant factor that affected the presence of Lupus Disease in patients was identified as the Ethnicity and the Renal Outcome or the kidney function of the patients.
Association Between Knee Osteoarthritis and the Risk of Cardiovascular Disease and the Synergistic Adverse Effects of Lack of Exercise
Authors: Park Dojoon , Park Yong-Moon , Ko Seung-Hyun , Choi Youn-Ho , Min Dong-Uk , Ahn Jae-Hyun , Kim Bongseong , Koh Hae-Seok , Han Kyungdo
Published: September 2022

Objectives: We aimed to determine whether knee OA is associated with CVD risk and to evaluate whether the association differs by exercise behavior.
Methods: We used Korea National Health Insurance Service (KNHIS) database and included 201,466 participants (7,572 subjects diagnosed with knee OA) who underwent health screening between 2009 and 2015. Those who had been diagnosed with knee OA or CVD before the index year were excluded. Cox proportional hazard models were used after adjusting for sociodemographic and CVD risk factors to evaluate the association between knee OA and CVD risk. Stratification analysis was further performed to determine the effect of exercise behavior on this relationship.
Results: During a median follow-up of 7.06 ± 2.24 years, 8,743 CVD (2,510 MI and 6,553 stroke) cases developed. Individuals with knee OA had increased risks of CVD (hazard ratio (HR) 1.26, 95% confidence interval (CI) 1.15–1.38), myocardial infarction (MI) (HR 1.20, 95% CI 1.00–1.44), and stroke (HR 1.29, 95% CI 1.16–1.43) compared with those without knee OA. Those with knee OA who did not exercise had an increased risk of CVD (HR 1.25, 95% CI 1.11-1.40), whereas no significant increased CVD risk was observed in those with knee OA who exercised at least once a week (HR 1.11, 95% CI 0.96-1.28).
Conclusion: Knee OA was independently associated with an increased risk of CVD. Lack of exercise might have a synergistic adverse effect on the association between knee OA and CVD.
Predicting microbial community compositions in wastewater treatment plants using artificial neural networks
Authors: Liu Xiaonan , Nie Yong , Wu Xiao-Lei
Published: September 2022

Background: Activated sludge (AS) of wastewater treatment plants (WWTP) is one of the world’s largest artificial microbial ecosystems and the microbial community of the AS system is closely related to WWTP performance. However, how to predict its community structure is still unclear.
Results: Here, we used artificial neural networks (ANN) to predict the microbial compositions of AS systems collected from WWTPs located worldwide. The predictive accuracy R21:1 of Shannon-Wiener index reached 60.42%, and the average R21:1 of amplicon sequence variants (ASVs) appearing in at least 10% of samples and core taxa were 35.09% and 42.99%, respectively. We also found that the predictability of ASVs was significantly positively correlated with their relative abundance and occurrence frequency, but significantly negatively correlated with potential migration rate. The typical functional groups such as nitrifiers, denitrifiers, polyphosphate-accumulating organisms (PAOs), glycogen-accumulating organisms (GAOs), and filamentous organisms in AS systems could also be well recovered using ANN models, with R21:1 ranging from 32.62% to 56.81%. Furthermore, we found that industry wastewater source (IndConInf) had good predictive abilities, although its correlation with ASVs in the Mantel test analysis was weak, which suggested important factors that cannot be identified using traditional methods may be highlight by the ANN model.
Conclusions: We demonstrated that the microbial compositions and major functional groups of AS systems are predictable using our approach, and IndConInf has a significant impact on the prediction. Our results provide a better understanding of the factors affecting AS communities through the prediction of the microbial community of AS systems, which could lead to insights for improved operating parameters and control of community structure.
Approach to the prevalence and comorbidity of neurodevelopmental disorders in primary care consultations on the island of Menorca in 6-year-old children
Authors: Francés Lorena , Caules Jessica , Ruiz Antoni , Soler C. Virgínia , Hervás Amaia , Fernández Alberto , Rodríguez-Quiroga Alberto , Quintero Javier
Published: September 2022

Background
Few studies estimate the real prevalence of neurodevelopmental disorders according to DSM-5 in Spain and worldwide. However, there are disparate prevalence figures. We consider research in this field essential to improve early detection, secondary prevention, and health planning.
Methods
The Minikid ADHD and TICS- Mini International Neuropsychiatric Interview for Children and Adolescents, The Autism Spectrum Quotient (Children’s version, AQ- Child) and a protocol of general medical questions were administered for screening purposes. The PROLEXIA battery in ages between 4–6 years was used to directly assess children. Parents provided information on emotional, medical, and school aspects. The final population evaluated using these tools was made up of 291 6-year-old subjects.
Results
The overall risk of presenting a neurodevelopmental disorder was 55.4% of the sample. A 23.4% risk of presenting attention deficit hyperactivity disorder (ADHD) in any modality (inattentive, hyperactive-impulsive and combined), a 2.8% risk of developing ASD, a 30.6% risk of presenting a learning disorder with reading difficulties, a 5.5% risk of tics and a 22.5% of language problems (incomprehensible language or minor language problems) were detected. The most common combinations were learning and language difficulties in 6.9% of the sample. The second most frequent combination was the presence of learning and language difficulties and the risk of ADHD in 4.5%.
Conclusions
The prevalence of risks detected in our sample seems to be consistent with national and international studies. A significant proportion had never been previously diagnosed, so it would be convenient to insist on early detection programs.
lncRNA LINC00652 is a significant prognostic and diagnostic biomarker in the Isfahan Breast cancer patients, correlated to ID1: integrated bioinformatics and experimental approach
Authors: Saeri Mahdies , Ramezani Zahra , Abbasi Samaneh , Foroutan Shamim , Azadeh Mansoureh
Published: September 2022

Background
The primary goal of this study is to compare the levels of expression of ID1, LINC00101, and LINC00652 in Isfahan Breast cancer samples to control samples. Understanding the relationship between variations in RNA expression levels and the clinicopathological statuses of Isfahan patients is another important goal of this research.
Method
R Studio evaluated 104 breast cancer tissue and 17 control samples in the GSE42568 microarray datasets to identify a relevant dysregulated gene. The limma package was used to conduct differential expression analysis. The DEGs were used to test mRNA-lncRNA interactions using the co-lncRNA online database. The qRT-PCR experiment aimed to determine the degree of expression of ID1, LINC001013, and LINC00652.
Result
Based on bioinformatics and experimental analyses, ID1 has a significant low-expression in the BC samples. Furthermore, lncRNAs LINC00101 and LINC00652 have significant high expression in the BC samples. ID1 and LINC00652 might be the two potential diagnostic (ROC analysis) and prognostic (Clinicopathological analysis) biomarkers of BC.
Discussion
According to ROC and clinicopathological analyses, ID1 and LINC00652 could be the two significant prognosis and diagnosis biomarkers in Isfahan Breast cancer patients.
Hybrid Modeling of Hetero-Agglomeration Processes: A Framework for Model Selection and Arrangement
Authors: Rhein Frank , Hibbe Leonard , Nirschl Hermann
Published: September 2022

Modeling of hetero-agglomeration processes is invaluable for a variety of applications in particle technology. Traditionally, population balance equations (PBE) are employed, however, calculation of kinetic rates is challenging due to heterogeneous surface properties and insufficient material data. This study investigates how the integration of machine learning (ML) techniques - resulting in so-called hybrid models (HM) - can help to integrate experimental data and close this gap. A variety of ML algorithms can either be used to estimate kinetic rates for the PBE (serial HM) or to correct the PBE's output (parallel HM). As the optimal choice of the HM architecture is highly problem-dependent, we propose a general and objective framework for model selection and arrangement. A repeated nested cross-validation with integrated hyper-parameter optimization ensures a fair and meaningful comparison between different HMs. This framework was subsequently applied to experimental data of magnetic seeded filtration, where prediction errors of the pure PBE were reduced by applying the hybrid modeling approach. The framework helped to identify that for the given data set, serial outperforms parallel arrangement and that more advanced ML algorithms provide better interpolation ability. Additionally, it enables to draw inferences to general properties of the underlying PBE model and a statistical investigation of hyper-parameter optimization that paves the way for further improvements.
Investigation on ratios of some common diseases and health risks relating to dioxin exposure in Da Nang, Vietnam
Authors: Sau Trinh Khac , Hung Dinh Viet , Le Quan Van , Quang Le Van
Published: September 2022

Analyze the current status of disease patterns and health risks of people in Thanh Khe district (TK group) residing near areas where Agent Orange (AO)/dioxin was stored in Da Nang airport compared with people in Son Tra district (ST group - control group), Da Nang city. A cross-sectional descriptive study. This is a survey of 402 families residing in the TK group and 400 ones residing in the ST group. Subjects in the age group 45–69 accounted for a high proportion, of which women accounted for the majority, the residence time was stable and long, mainly over 15 years in both groups. People in the TK group had direct and indirect exposure to AO/dioxin accounted for a higher proportion than in the ST group. The incidence of some diseases that are recommended to be related to AO/dioxin such as hypertension (33.6%), diabetes mellitus (8.96%), and other diseases: stomach (23.0%), joints (40.3%), ear-nose-throat (ENT, 11.2%), urinary system (7.21%) compared with the ST group. Exposure to AO/dioxin has changed the disease pattern and increased some diseases in people residing near areas where AO/dioxin was previously stored.
Identification of Biomarker Genes Based on Multi-Omics Analysis in Non- Small Cell Lung Cancer
Authors: Xia Ji , He Hai-bin , Liu Ying , Wang Yi , Shu Kun-Xian , Ma Ming-Yue
Published: September 2022

Background: Non-small cell lung cancer (NSCLC) is a complex disease with a high mortality rate and a poor prognosis, but its molecular mechanisms and effective biomarkers are still unclear. Comprehensive analysis of multiple histological data can effectively exclude random events and is helpful in improving the reliability of the findings. In this study, we used three types of omics data, RNA-seq, microRNA-seq, and DNA methylation data, from public databases to explore the potential biomarker genes oftwo major subtypes of NSCLC.
Results: Through the combined differential analysis of multi-omics, we found 873 and 1378 potential high-risk genes in LUAD and LUSC, respectively. Then, we used WGCNA and PPI analyses to identify hub-genes and LASSO regressionto construct prognostic models, and we obtained 15 prognostic genes. We also used survival analysis, univariate COX analysis, and GEO datasets to validate prognostic genes. Finally, we found ten genes associated with NSCLC, and eight of them have been reported in previous research.
Conclusions: In this study, we have provided a reliable analysis method for predicting biomarker genes of complex diseases. Two novel biomarker genes were identified: NES and ESAM. The two genes were both gene expression down-regulation and DNA methylation up-regulation, and regulated by miR-122and miR-154. Moreover, the NES gene can contribute to the clinical diagnosis and prognosis of NSCLC.
Handling and preservation of buffy coat isolated T cells for homologous dendritic cell co-cultures
Authors: Alobaid Meshal A.
Published: September 2022

The use of T cells is increasing both in healthcare and in research yet the preservation methodologies for longer periods of times are yet to be optimized. In order to overcome these issues, we have optimized a protocol in sample handling and preservation of T cells in order to perform a successful donor homologous co-culture with DCs and preserve these cells for subsequent testing. This method will help in saving time and effort as well as the ease of use for experiments requiring use of T cells in mono or co-cultures. Handling and preservation of T cells using our methodology showed stability and viability of these cells in co-cultures. Data showed viability of > 93% before and after liquid nitrogen preservation. Moreover, preserved cells had no unspecific activation which can be seen in unchanged expression of the T cell activation marker CD25. T cell proliferation profile showed that preserved T cells used in DC-T cell co-cultures (LPS stimulated DCs) had the ability to interact and proliferate indicating potency of these cells. This provides evidence of the efficiency of our handling and preservation methodology in maintaining cell viability and stability. Preserving donor T cells would facilitate reuse of these cells in donor homologous co-cultures reducing inconvenience of multiple donations of fresh blood and provides accessibility of the same population of T cells for experiments that requires repetition, commercial availability of the cells or for preservation of cells for clinical therapies such as chimeric antigen receptor T cells.
Application of the Xi robotic platform for familial adenomatous polyposis with ultra-low rectal cancer: exploration of minimally invasive and refined therapies
Authors: Xiong Huan , Wang Jiaqi , Hu Hanqing , Yuan Ziming , Wang Yuliuming , Qiao Tianyu , Ma Tianyi , Wang Chunlin , Wang Zitong , Tang Qingchao
Published: September 2022

When a Familial adenomatous polyposis (FAP) patient's rectal polyp undergoes malignant transformation, the surgeon needs to consider how to balance the quality of surgery with the patient's quality of life. Here we present a case of robotic surgery in a patient with familial adenomatous polyposis and ultra-low rectal cancer. Fiberoptic colonoscopy found that hundreds of polyp-like bulges were diffusely distributed throughout the colon, and a malignant mass was found at the end of the rectum. The patient underwent total colectomy with abdominoperineal extended radical resection for rectal cancer using the Xi robotic platform. The patient recovered well in the postoperative period. The ileostomy was well used. And the patient was in good health and metastasis-free at nine months postoperatively. We identified total colectomy combined with extended radical rectal resection under the assistance of the da Vinci robot platform is of great benefit to the patient.
Neiella litorisoli sp. nov., an alginate lyase – excreting bacterium from South China Sea
Authors: Sun Jingran , Mo Kunlian , Li Xue , Hu Yonghua , Liu Zhiyuan , Huang Huiqin
Published: September 2022

A Gram-stain-negative, rod-shaped bacterium, designated HB171785T, was isolated from soil sample collected from Qishui Bay, Hainan, China. The strain grew optimally at pH 7–8, 40–45°C and with NaCl 3–4%. The predominant isoprenoid quinone was found to be Q-8 and the major fatty acids were C16:0, C16:1 ω7c / C16:1 ω6c, C18:1 ω7c / C18:1 ω6c and C12:0 3OH. The polar lipids contained diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. The size of the draft genome was 4.32 Mbp with G + C content 49.7%. Phylogenetic analysis of 16S rRNA gene sequence indicated that strain HB171785T belonged to the order Alteromonadales, and the closest phylogenetically related species were Neiella marina j221T, “Neiella holothuriorum” 126T and Echinimonas agarilytica LMG2520T with the similarities of 98.2, 96.0 and 95.0%, respectively. The highest values of average nucleotide identity (ANI), digital DNA-DNA hybridization (dDDH) and average amino acid identity (AAI) were found to be 82.9, 25.4 and 89.2%, respectively, between the isolate and its closest neighbor Neiella marina j221T. The combined phylogenetic relatedness, phenotypic and genotypic features supported the conclusion that strain HB171785T represents a novel species of the genus Neiella, for which the name Neiella litorisoli sp. nov. is proposed. The type strain is HB171785T (= MCCC 1K04625T = KCTC 82319T).
The nexus between emotional intelligence and academic performance
Authors: Ramlal Porika , Manjusha Kappala , Khan Sania
Published: September 2022

This paper attempts to understand how emotional intelligence (EI) can affect students’ academic performance by investigating the relationship between EI and student performance. A structured questionnaire comprising 25 questions was developed on a five-point Likert scale employing the five components of EI stated by Daniel Goleman. The five elements are self-analysis, self-control, self-motivation, empathy, and social skills. 350 MBA students from premier institutes in Warangal, India, were taken as a sample through a convenience sampling technique. Correlation analysis was performed amongst students’ EI and their cumulative grade point average (CGPA). The coefficient value obtained showed a minimal linear relationship between EI and student performance. For further analysis, students were segregated gender-wise, male and female, and then a correlation was performed. In the case of female students, a negative relationship is exhibited between EI and performance. In contrast, in the case of male students, a positive relationship is exhibited that is higher than the overall coefficient. Moreover, correlation is applied to each component separately to identify which of the five components has higher linear relationship. The findings concluded that self-control and empathy followed by self-motivation had linear relationship, especially in the case of male students. Finally, it was difficult to correlate the EI of female students with their performance.
Identification and Verification of Key MiRNAs Associated with Intervertebral
Disc Degeneration
Authors: Liu Jianwei , Li Rong , Lyv Peizhen
Published: September 2022

Background:

Intervertebral Disc Degeneration (IDD) is a heterogeneous spinal disease
whose underlying molecular mechanism is unclear.

Objectives:

This study aimed to identify, profile, and analyze microRNAs (miRNAs) related to IDD.

Method:

Microarray Gene Expression IDD data (GSE63492) were downloaded from Gene Expression
Omnibus datasets. We employed Weighted Gene Co-Expression Network Analysis (WGCNA)
to construct a miRNA co-expression network, and the miRNAs related to the IDD stage were detected.
The number of differentially expressed miRNAs between normal and degenerated nucleus
pulposus tissues was calculated. Twenty-three clinical specimens were used to validate the expression
of miRNAs using qRT-PCR.

Results:

WGCNA identified 48 miRNAs significantly related to the IDD stage, and 94 miRNAs
that were significantly different between normal and degenerated nucleus pulposus tissues. We selected
32 overlapping miRNAs and identified 347 corresponding target genes. The integrative analysis
revealed the biological function and pathways of these targeted genes. Analysis of clinical specimens
validated that hsa-miR-4534 was upregulated in IDD, whereas hsa-miR-1827 and hsa-miR-
185-5p were downregulated in IDD.

Conclusion:

This study has identified a subset of miRNAs that are related to IDD pathogenesis and
hub miRNAs that are keys to the IDD co-expression network, which may potentially be utilized as
indicators for treatment.
Advances in Nanomaterial-based Biosensors for Determination of
Glycated Hemoglobin
Authors: Noviana Eka , Siswanto Soni , Budi Hastuti Agustina Ari Murti
Published: September 2022

Diabetes is a major public health burden whose prevalence has been steadily increasing over the past decades. Glycated hemoglobin (HbA1c) is currently the gold standard for diagnostics and monitoring of glycemic control in diabetes patients. HbA1c biosensors are often considered to be cost-effective alternatives for smaller testing laboratories or clinics unable to access other refer-ence methods. Many of these sensors deploy nanomaterials as recognition elements, detection la-bels, and/or transducers for achieving sensitive and selective detection of HbA1c. Nanomaterials have emerged as important sensor components due to their excellent optical and electrical proper-ties, tunable morphologies, and easy integration into multiple sensing platforms. In this review, we discuss the advantages of using nanomaterials to construct HbA1c sensors and various sensing strategies for HbA1c measurements. Key gaps between the current technologies with what is need-ed moving forward are also summarized.
Assessment of Obstructive Sleep Apnea among Adult Hypertensive
Patients on Follow-up at Jimma Medical Center
Authors: Etefa Tesema , Gerema Urge , Ayele Mengistu , Getachew Bekalu , Dereje Diriba , Hamba Niguse , Tesfaye Solomon
Published: September 2022

Background:

Obstructive Sleep Apnea (OSA) is a disorder caused by the repetitive collapse of the upper airway during sleep. The pathophysiology of health problems related to OSA is most strongly linked to irregular hypoxia, which results in cell function damage. In our investigation, no determinants of the OSA were found. The pathophysiology of OSA-related health problems is most significantly associated with irregular hypoxia, which induces damage to cell functions. Determinants of the OSA were not identified in our study.

Objective:

The aim of this study was to assess obstructive sleep apnea among adult hypertensive patients on follows up at Jimma Medical center (JMC) in 2020.

Methods:

An institution-based descriptive cross-sectional study design was carried out at the JMC clinic during follow-up care. All hypertensive patients who attended the JMC's chronic follow-up clinic were our baseline populations, while those who gave their consent and met our inclusion criteria during the study period were enrolled as study participants. The data were sorted and entered into the computer using Epi-data version 3.1 and exported to the Statistical Package for Social Sciences (SPSS) version 20.0 for analysis. Frequency, percentage, and mean were calculated for descriptive statistics.

Result:

A total of 291 adult hypertension patients on follow-up care at the JMC were included in the study, comprising 155 (53.3%) men and 136 (46.7%) women. The age of the participants ranged from 2874 years, and the mean age was 51 years. Of the 291 hypertensive patients screened for OSA using the STOP-Bang questionnaire, 187 (64.3%) were classified as high risk for OSA.

Conclusion:

The present study showed that the prevalence of OSA is considerably high, with remarkable fluctuations and increases with age. It is also associated with gender. Men are most affected by OSA compared to women.
3D-QSAR, Molecular Docking and Pharmacokinetic Studies: In-Silico Approach to Search Novel Inhibitors of 5-Alpha Reductase for Treatment of Benign Prostatic Hyperplasia
Authors: Dhingra Neelima , Kaur Harnoor , Kumari Alka , Rana Priyanka , Kaur Tanzeer
Published: September 2022

Aim:

To identify novel steroidal 5-alpha reductase (5AR) inhibitors using computational approaches.

Objectives:

To exploit the steroidal nuclei for possible modifications by creating a library of 17-oximino-5-androsten-3-carboxamide derivatives and identify potent 5AR inhibitors based on docking and pharmacokinetic parameters.

Background:

Benign prostatic hyperplasia (BPH), is a condition of aged men, that is characterized by lower urinary tract symptoms. Excessive production of dihydrostestosterone (DHT) from testosterone has been found to play a major role in its pathophysiology. Studies targeting the 5AR enzyme have so far resulted in the development of two clinical approved 5AR inhibitors.

Methods:

Atom-based three dimensional-quantitative structure activity relationship (3D-QSAR) models have been developed using a selected series of steroidal derivatives as 5AR inhibitors, to elucidate the structural properties required for 5AR inhibitory activities. Further In‒silico studies (molecular docking and pharmacokinetic properties like adsorption, distribution, metabolism, and excretion) of 17-oximino-5-androsten-3-carboxamide derivatives have also been carried out to identify the binding orientation and protein-ligand interactions responsible for the exhibited activity and drug like properties.

Results:

The best 3D-QSAR model was generated using Partial Least Square method with an excellent correlation coefficient (R², training set) of 0.882, standard deviation (SD) of 0.09, and a predicted coefficient (Q², test set) of 0.814. Docking analysis indicated that the designed series of compounds have comparable binding affinity from -8.961 to -8.017 to the protein and suggested that hydrophobic and electrostatic moieties can have a key role in the inhibition mechanism.

Conclusion:

3D-QSAR, molecular docking and pharmacokinetic studies indicated that 17-oximino-5-androsten-3-carboxamide derivatives could be studied further to provide a new strategy for the treatment of BPH.
A Cellular Senescence-Centric Integrated Approach to Understanding
Organismal Aging
Authors: Sharma Rohit , Diwan Bhawna
Published: September 2022

Aging remains the fundamental cause of the increased rate of morbidity and mortality in
the elderly. Despite continuing research, an integrative and holistic understanding of the molecular
mechanisms and effects of aging is still elusive. This presents a major challenge in biogerontology,
and therefore novel strategies aimed at integrating the multifaceted nature of aging for the identification
and development of successful therapeutic targets are highly desirable. At present, cellular
senescence, immunosenescence, and gut microbiota dysbiosis are key known modulators of aging.
However, a cellular senescence-centric integrative view that relates to the seemingly distinct processes
of immunosenescence and gut microbiota dysbiosis can be envisaged, which implies a more
inclusive and targetable understanding of aging. The present manuscript discusses the emerging evidence
and significance of cellular senescence vis-à-vis immunosenescence and gut microbiota
dysbiosis in the development of potential anti-aging therapies. Underlying interconnections and
mechanisms amongst these individual modulators have been deliberated to present a more coherent
and tangible understanding of biological aging. It is emphasized that aging be studied within the
integrative purview of these processes that may ultimately help devise a new inclusive and consolidated
theory of aging with well-defined therapeutic targets.
Toxicological Analysis of Drugs in Human Mummified Bodies and
Proposed Guidelines
Authors: Silva-Bessa Angela , Dinis-Oliveira Ricardo Jorge , Forbes Shari L. , Ferreira Maria Teresa
Published: September 2022

From palaeopathology to forensic taphonomy, mummified human bodies constitute
biological archives of paramount importance. Toxicology analysis of endobiotics and xenobiotics
has already shown value to archaeological mummies research with detecting heavy metals,
sedative-hypnotic drugs, and stimulants. Thanks to the large window of drug detection in hair and
nails, the information from such studies has increased the scientific community’s knowledge
regarding past populations’ lifestyles. Still, few bibliographic references exist regarding toxicology
reports in mummified bodies from forensic settings. Here, the authors aim to draw attention to the
valuable contribution of toxicology analysis, taking into account previously conducted studies and
their findings. Given that sample collection on mummified bodies from forensic scenarios may not
always happen in laboratories or autopsy rooms, the authors also suggest guidelines for in situ
sampling of forensic mummies. It is expected that the present technical note will encourage experts
to perform toxicology analysis in mummified bodies and publish their case reports more often.
Anatomía de la madera de nueve especies de la selva baja caducifolia en la Sierra del Tentzo, Puebla, México
Authors: Ruiz Valencia Jesús Alejandro , Andrés-Hernández Agustina Rosa , Terrazas Teresa
Published: September 2022

Antecedentes y Objetivos: En México solo existen dos publicaciones referentes a la madera de plantas distribuidas en selva baja caducifolia. En Puebla, este tipo de vegetación ocupa el segundo lugar en extensión geográfica. Sin embargo, no se han analizado especies típicas de esta zona. Por ello, los objetivos de este trabajo fueron describir la anatomía de la madera de Berberis moranensis, Bursera fagaroides, B. morelense, Cascabela ovata, Critoniopsis uniflora, Fouquieria formosa, Ipomoea murucoides, Karwinskia humboldtiana y Lycianthes sp., taxones característicos de la Sierra del Tentzo, comparar estadísticamente las maderas; así como identificar si los caracteres son suficientes para diferenciarlas a nivel intra e interespecífico y determinar semejanzas con organismos congéneres estudiados en otras regiones. Métodos: Se colectaron muestras de madera de tres individuos por especie en el área de estudio. Las maderas fueron procesadas con técnicas histológicas convencionales para obtener datos anatómicos cualitativos y cuantitativos. Se evaluó si existen diferencias intra e interespecíficas mediante un análisis glm, también fue realizado un análisis discriminante lineal, para determinar qué caracteres permiten diferenciar a las especies y uno de conglomerado para agruparlas con organismos congéneres, descritos en publicaciones previas. Resultados clave: Los caracteres cualitativos de vasos, fibras y parénquima corresponden con descripciones previas; encontrando diferencias interespecíficas en el diámetro de las punteaduras, pared de vasos y fibras, así como ancho de radios y diámetro de vasos, que son las variables más importantes para discriminar entre taxones. Las especies mexicanas de Bursera, Berberis, Lycianthes, Cascabela, Karwinskia e Ipomoea se agrupan con sus congéneres estudiados previamente. Conclusiones: Las maderas de la Sierra del Tentzo presentan caracteres propios de especies que habitan en zonas con estacionalidad marcada. Los caracteres evaluados son útiles para discriminar entre ellas y el análisis de agrupamiento reveló homogeneidad anatómica en géneros ampliamente estudiados.
37-21
Authors: Klimin S. A.  , Kuznetsova E. S.  , Berdonosov P. S.
Published: September 2022

The transmission spectra of a 2D frustrated magnet Cu3Sm(SeO3)2O2Cl have been measured in the region of f-f transitions of the Sm3+ ion in a wide temperature range (4-300 K). The energies of 40 crystal-field levels of the Sm3+ ion have been determined for the ground and excited multiplets in the spectral range 2000 – 10000 cm-1. In the spectra two magnetic phase transitions were registered: at a temperature TN = 35 К, magnetic ordering occurs, and at a temperature of TR = 8.5 К, a spin-reorientation transition occurs. The ground Kramers doublet of the Sm3+ ion is split only at a low-temperature phase transition. The data obtained on the energy states of the ground 6H5/2 multiplet of the Sm3+ ion were used to calculate the contribution of samarium to the heat capacity of Cu3Sm(SeO3)2O2Cl.
34-21
Authors: Dresvyanskiy V. P.  , Zilov S. A.  , Martynovich E. F.
Published: September 2022

Single F2 and F3+- color centers in the LiF crystal were studied by confocal fluorescence microscopy. The time dependences of their fluorescence intensity were analyzed and statistically processed. Our studies show that, the F3+- color center, being photoexcited, is able enter the triplet state, while in ground (singlet) state it changes orientation with a frequency of 1.5 – 2 Hz at room temperature, due to reorientational diffusion, unlike the F2- center, which is reoriented only being in the triplet state. This subtype of rotational diffusion of the center does not lead to its translational diffusion.
Spiral magnetic order and metal-insulator transition in the Hubbard model on a triangular lattice
Authors: Gilmutdinov V. F.  , Timirgazin M. A.  , Arzhnikov A. K.
Published: September 2022

The magnetic phase diagrams of the two-dimensional Hubbard model for isotropic and anisotropic triangular lattices are constructed within the Hartree--Fock and slave boson approximations. The triangular lattice specific non-collinear and spiral magnetic states, as well as phase separation between them, are shown to be realized in a wide range of model parameters along with collinear magnetic states (stripe antiferromagnetic and ferromagnetic). Phase transitions of the first and second order are found, and the boundaries of the phase separation regions are determined. A comparison of the two approximations, Hartree--Fock and slave boson, shows that electronic correlations suppress magnetic states, the region of paramagnetism being expand, for values U/t>~=5. At the same time, when the Fermi level is near the van Hove singularity, electron correlations do not change the diagrams qualitatively, which is consistent with the previously obtained result for square and cubic lattices. The results are compared with the data available in the literature for other methods and approaches. Keywords: Hubbard model, phase separation, spiral magnetic order, triangular lattice, metal-insulator transition
Cold blue phosphors based on dysprosium-doped aluminum oxide
Authors: Baklanova I.V.  , Krasil’nikov V. N.  , Tyutyunnik A. P.  , Baklanova Y. V.
Published: September 2022

Al2O3 : Dy3+ oxides with different color luminescence were synthesized using precursor technology. The phase composition and crystal structure of the obtained materials were established by X-ray powder diffraction analysis. The excitation and emission spectra, decay curves, thermal quenching of luminescence were studied. Under UV-excitation, the phosphors exhibit blue, purplish blue, and white emission depending on the dysprosium concentration and the annealing temperature of the Al1-xDyx(OH)(HCOO)2 precursor in air. Keywords: aluminum oxide, dysprosium, precursor synthesis method, luminescence, color coordinates.
Exciton Spectra of BiI3 bulk crystals
Authors: Agekyan V.  , Serov A  , Filosofov N.
Published: September 2022

The luminescence, reflection and absorption spectra of layered BiI3 crystals on samples of different quality are studied in a wide temperature range. Based on the data obtained, the parameters of the direct exciton, which has a high oscillator strength, are estimated. Keywords: Bismuth(III) iodide, exciton, localized states
Growth regimes of aluminium nitride films on hybrid SiC/Si(111) substrates
Authors: Koryakin A.A.  , Kukushkin S. A.  , Osipov A. V.  , Sharofidinov Sh. Sh.
Published: September 2022

The nucleation mechanism of aluminum nitride films grown by the method of hydride vapor phase epitaxy on hybrid substrates 3C-SiC/Si(111) is theoretically analyzed. The temperature regions and vapor pressure regions of components are determined in which the island growth mechanism and the layer-by-layer growth mechanism are realized. The theoretical conclusions are compared with the experimental data. The morphology of aluminum nitride film on 3C-SiC/Si(111) at the initial growth stage is investigated by the method of scanning electron microscopy. The methods of controlling the change of the growth mechanism from the island growth to the layer-by-layer growth are proposed. Keywords: aluminium nitride, gallium nitride, silicon carbide on silicon, method HVPE, nucleation, wide-bandgap semiconductors, heterostructures.
More on the Effect of Inhomogeneous Dielectric Coating on Metal Characteristics
Authors: Pogosov V. V.
Published: September 2022

Within the framework of the quantum-statistical functional and the Ritz method, the the problem of finding the surface energy per unit area and work function electrons of a metal flat surface with a inhomogeneous dielectric coating, taken into account in the approximation of a continuous medium. For a uniform coating, the calculated values are insensitive to the selection one-parameter functions for an electronic profile, but sensitive to the gradient series of kinetic energy non-interacting electrons. Calculations are performed for Al, Na and the comparison with the calculations by the Kohn--Shem method is made. Analytically the connection between the theory of the Ritz method for inhomogeneous coatings and calculations by the Kohn--Shem method work function of electrons for metal-dielectric nanosandwiches. As it turned out, the influence inhomogeneous coating on the characteristics of the metal surface can be scaled down to a uniform coverage case. The possibility of using the obtained results in various experimental situations are discussed. Keywords: Work function, Schottky barrier, dielectric coating.
Growth and stability of surface chemical compounds in interaction between Be and (1010) Re surface
Authors: Rut'kov E. V.  , Gall N. R.
Published: September 2022

It is shown that the adsorption of Be on Re (1010) in the temperature range of 850-950 K leads to the formation of specific adsorption states --- surface chemical compounds (SC) of ReBe stoichiometry with a concentration of adsorbed NBe atoms of ~1.4·1015 cm-2. A multilayer film of beryllium (3-4 layers) is destroyed upon heating, and at 900 K all Be atoms leave the surface into the bulk of rhenium, except those that are part of the SC; atoms from the SC, in turn, actively dissolve at T>1050-1150 K. This corresponds to a decrease in the activation energy of dissolution upon the formation of SC from about 3.3 to 2.7 eV. Thermal desorption of beryllium takes place only at T>2100 K due to the emergence of Be atoms dissolved in the bulk of the metal onto the surface. Keywords: beryllium, rhenium, surface chemical compounds, dissolution, thermal desorption
Silicon ablation in air by mono- and bichromatic laser pulses with wavelength 355 and 532 nm
Authors: Chumakov A. N.  , Luchkouski V. V.  , Nikonchuk I. S.  , Matsukovich A. S.
Published: September 2022

Ablation of silicon sample in air under irradiance of single anddouble laser pulses with wavelengths 355 and 532 nm was studied by means ofoptical and scanning electron microscopy, raman spectroscopy, profilometryof laser craters as well as video registration of plasma's plume radiationin time. Dependence of specific sample's material removal on laser fluenceand time interval between coupled pulses of bichromatic laser irradiance wasestablished. Spallation of silicon was found in broad range of irradianceparameters and parameters of craters formed by ablation and spallation underthe action of bichromatic laser radiation were determined. Keywords: nanosecond laser ablation, specific mass removal, surface modification, laser plasma dynamics, crater formation, spallation\
Analysis of toroidal Alfven eigenmode-induced fast ion losses in Globus-M2 spherical tokamak
Authors: Balachenkov I. M.  , Bakharev N.N.  , Varfolomeev V. I.  , Gusev V.K.  , Iliasova M. V.  , Kurskiev G. S.  , Minaev V. B.  , Patrov M. I.  , Petrov Yu. V.  , Sakharov N. V.  , Skrekel O. M.  , Telnova A. Yu.  , Khilkevitch E. M.  , Shevelev A. E.  , Shchegolev P. B.
Published: September 2022

With an increase of magnetic field up to 0.8 T and plasma currentto 400 kA, fast ion losses rate in the discharges with toroidal Alfveneigenmodes decreased in tokamak Globus-M2 comparing with Globus-M tokamakdischarges. Taking into account the data on the discharges with increasedmagnetic field and plasma current, the regression fit of neutral particleanalyzer flux drop in energy channel close to neutral beam energy onrelative eigenmode magnitude, the value of magnetic field and plasma currentwas analyzed. The power of flux drop dependence on TAE magnitude was foundto be ~0.5 and inverse proportional on the value of product of magneticfield and plasma current, which is highly likely is determined only byplasma current due to weak dependence on magnetic field. The resultobtained indicates that fast ion losses in Globus-M2, stimulated by toroidalAlfven eigenmodes are mostly determined by the shift of passing orbits tothe plasma edge. With the increase of plasma current and magnetic field,neutron flux drops arising in the moments of toroidal mode bursts have alsodecreased. Keywords: TAE, NPA, spherical tokamak, fast ion losses\
Elastic interaction of quantum disks in hybrid QD/NW structures
Authors: Romanov A.E.  , Kolesnikova A. L.  , Gutkin M. Yu.  , Bougrov V. E.
Published: September 2022

The elastic interaction of quantum disks (QDs) in a nanowire (NW), i. e., in a hybrid QD/NW structure with sharp heterointerfaces, is considered for the first time. Within the framework of the defect micromechanics approach, the energy of QD pair interaction is established and it is demonstrated that for QDs with a lattice misfit of the same sign, a zone of attraction to each other appears, depending on the ratio of the QD axial size to the NW radius. The discovered effect should be taken into account when choosing the modes of formation of hybrid QD/NW structures and in models explaining their properties. Keywords: nanowire (NW), quantum disk (QD), QD/NW hybrid structure, lattice mismatch, dilatation inclusion, strain energy.
Nanosized gold films formation under conditions of multiple autoirradiation with ion-beam deposition
Authors: Sharko S. A.  , Serokurova A. I.  , Novitskii N. N.  , Stognij A. I.  , Ketsko V. A.
Published: September 2022

Uniform gold films with a thickness of several tens of nanometers were obtained for the first time on silicon and quartz substrates by ion-beam deposition-sputtering. It is shown that the predominant lateral growth of nanoscale metal layers along the substrate surface occurs under exposure to the high-energy component of the sputtered atoms flux. The decisive role in the nanometer gold film formation is played by elastic collisions of sputtered metal atoms with atoms of the substrate and growing film. The application of the multiple deposition-sputtering operation allows suppressing the grain formation process and obtaining gold films with better characteristics than those with a single deposition. Keywords: ion-beam sputtering-deposition, nanosized gold film, electric resistance, surface roughness, autoirradiation
Distanced Engagement During COVID-19 Through Postcard Initiatives
Authors: McElroy Kelly , Weis Robin
Published: September 2022

In this article, we – an outreach librarian and an undergraduate library student worker – reflect on two COVID-era projects which came out of the need for connection in our communities. These projects demonstrate the importance of creative and iterative outreach projects, particularly given the uncertainty and isolation during ongoing times of crisis.