bluuebunny/crossref_metadata_2025_split huggingface dataset:
An insilico design of a peptide bioreceptor for cortisol using molecular modelling techniques
Authors: Deshpande Parijat , De Debankita , Badhe Yogesh , Tallur Siddharth , Paul Debjani , Rai Beena 
Published: November 2023

Abstract

Cortisol is established as a reliable biomarker for stress prompting intensified research in developing wearable sensors to detect it via eccrine sweat. Since cortisol is present in sweat in trace quantities, typically 8-140ng/mL, developing such biosensors necessitates the design of bioreceptors with appropriate sensitivity and selectivity. In this work, we present a systematic methodology and semi-automated high -throughput screening tool for candidate bioreceptors from protein databases, via molecular docking, ranking them according to their binding affinities by conducting automated AutoDock Vina scoring simulations and finally validation via full atomistic steered molecular dynamics computations including umbrella sampling to estimate the potential of mean force using GROMACS. These explicit molecular dynamic calculations are carried out in eccrine sweat environment taking into consideration the protein dynamics and solvent effects. Subsequently, we present a candidate baseline peptide bioreceptor selected as a continuous sequence of amino acids favourably interacting with the target ligand i.e., cortisol from the active binding site of the proteins and maintaining its tertiary structure. A unique cysteine residue introduced at the N-terminus allows orientation-specific surface immobilization of the peptide onto the gold electrodes and to ensure exposure of the binding site. Comparative binding affinity simulations of this peptide with the target ligand along with commonly interfering species e.g., progesterone, testosterone and glucose are also presented to demonstrate the validity of this proposed peptide as a candidate baseline bioreceptor for future cortisol biosensor development.
Quantum Feasibility Labeling for NP-complete Vertex Coloring Problem
Authors: Zhan Junpeng 
Published: November 2023

Abstract
Many important science and engineering problems can be converted into NP-complete problems which are of significant importance in computer science and mathematics. Currently, neither existing classical nor quantum algorithms can solve these problems in polynomial time. To address this difficulty, this paper proposes a quantum feasibility labeling (QFL) algorithm to label all possible solutions to the vertex coloring problem, which is a well-known NP-complete problem. The QFL algorithm converts the vertex coloring problem into the problem of searching an unstructured database where good and bad elements are labeled. The recently proposed variational quantum search (VQS) algorithm was demonstrated to achieve an exponential speedup, in circuit depth, up to 26 qubits in finding good element(s) from an unstructured database. Using the labels and the associated possible solutions as input, the VQS can find all feasible solutions to the vertex coloring problem. The number of qubits and the circuit depth required by the QFL each is a polynomial function of the number of vertices, the number of edges, and the number of colors of a vertex coloring problem. We have implemented the QFL on an IBM Qiskit simulator to solve a 4-colorable 4-vertex 3-edge coloring problem.
Early disease-specific characteristics for identifying Mixed Vascular-Alzheimer's Dementia in geriatric patients
Authors: Jaul Efraim , Factor Hagai , Meiron Oded 
Published: November 2023

Abstract
Purpose
Mixed Vascular-Alzheimer's Dementia (MVAD) is coexistence of both Alzheimer's disease and cerebrovascular disease (CVD) in the same patient. Thus, the current investigation focused on retrospectively classifying and diagnosing older geriatric patients at risk for dementia with both vascular risk factors and neuro-atrophy factors in Alzheimer's disease (AD)versus patients with nonvascular-AD etiology.
Methods
The study evaluated demographic and clinical data collected from a cohort of 192 geriatric out-patients (age range = 60–97 years) admitted for one baseline and one follow-up clinical consultations within a period of three years. Mini Mental State Examination (MMSE) scores and cardiovascular risk factors were reevaluated and utilized in the assessment of basic cognitive functioning and clinical diagnosis of MVAD and AD dementia subgroups during follow-up visits.
Results
A relatively high prevalence of MVAD diagnosis was found across the entire sample (36%). MVAD diagnosis was significantly higher in men with 59% prevalence, while AD diagnosis without vascular etiology was significantly higher in women with 69% prevalence. MVAD diagnosis was more pronounced under the age of 85, while AD diagnosis without vascular history was significantly higher in ages 85 years or older. Importantly, non-palpations of peripheral pulse and atrial fibrillation-type arrhythmia were found to be significant early risk factors related to prospective MVAD diagnosis (p < .008, OR = 30, p < .009, OR = .005).
Conclusion
Early comprehensive clinical evaluation of specific vascular risk factors prior to dementia onset could putatively predict the onset of MVAD.
The anxiety response of patients with severe psychiatric disorders to the recent public health crisis
Authors: Khalkhali Mohammadrasoul , Zarvandi Parsa , Mohammadpour Mehrshad , Alavi Seyed Mohsen Kheirkhah , Khalkhali Parnian , Farrahi Hassan 
Published: November 2023

Abstract

Background
The recent public health crisis, COVID-19, has had devastating health, economic, and social consequences in many societies. These consequences harmed to the already vulnerable groups, particularly people with Sever Psychiatric Disorders (SPDs). The present study was conducted with the aim of investigating the anxiety response of patients with SPDs during COVID-19 pandemic.
Methods
This cross-sectional analytical study was conducted on 351 patients with SPDs [schizophrenia spectrum (SSD), bipolar (BD), major depressive (MDD), and obsessive-compulsive (OCD) disorders] and a control group in Guilan province. The anxiety response consisted of four concepts: COVID-19-related anxiety, general health anxiety, anxiety sensitivity, and safety behaviors. After conducting a clinical unstructured interview with all participants, the self-report measures, including the Corona Disease Anxiety Scale, the Anxiety Sensitivity Index – Revised, the Short Health Anxiety Inventory, and the Checklist of Safety Behaviors, were administered.
Results
ANOVA showed a significant difference between the groups of patients with SPDs and the control group in COVID-19-related anxiety (F = 6.92, p = 0.0001), health anxiety (F = 6.21, p = 0.0001), and safety behaviors (F = 2.52, p = 0.41). However, no significant difference was observed between them in anxiety sensitivity (F = 1.77, p = 0.134). The Games-Howell test showed that the control group obtained a higher mean than the groups of people with BD (p < 0.0001), SSD (p = 0.033), and OCD (p = 0.003) disorders in COVID-19-related anxiety. Also, the MDD (p = 0.014) and OCD (p = 0.01) patients had a higher mean than the control group in health anxiety. Tukey's test showed that the mean of safety behaviors of the control group was significantly higher than the OCD group (p = 0.21). No difference was observed between the groups of MDD, BD, SSD, and OCD in terms of COVID-19-related anxiety, health anxiety, and safety behaviors.
Conclusion
Anxiety response to health crisis is different in groups with SPDs and control group. These difference in responses shows that patients with SPDs may have special needs in the occurrence of health crises. It also warns that having a mental illness is not necessarily associated with maladaptive reactions in health crises.
Technical Analysis of Detection of Vitis Amurensis Wine Volatiles Based on HS-SPEM-GC-MS
Authors: Li Ming , Cui Yanyan , Lei Jiayi , Shen Qi 
Published: November 2023

Abstract
Vitis amurensis wine is a Chinese specialty wine product. This study investigated the effects of different sample processing methods on the detection of volatile components of Vitis amurensis wines using headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry (HS-SPME-GC-MS). The effects of sample volume, sample concentration, extraction temperature, equilibrium time, adsorption time, stirring speed, sodium chloride, and desorption time on the assay results were explored. The results showed that the sample processing methods significantly impacted the assay results, especially for low-concentration volatiles, which were detected less frequently. However, this effect could be compensated by increasing the adsorption time, adding saturated NaCl and increasing the number of parallel experiments. When the results were statistically analyzed, high matching (probability) reduced the variability of the parameters at different levels, and the detection conditions could not be optimized by regression analysis, but low matching reduced the accuracy of the results. Moreover, the sensitivity of the instrument exerted an effect on the assay results.
Harnessing Voice Analysis and Machine Learning for Early Diagnosis of Parkinson's Disease: A Comprehensive Study Across Diverse Datasets
Authors: Neto Osmar Pinto 
Published: November 2023

Abstract

Objective
To evaluate the efficacy of integrating voice analysis with machine learning techniques for the early diagnosis of Parkinson's Disease (PD) across diverse datasets.
Methods
Voice data were sourced from three distinct datasets available on the UCI Machine Learning Repository. These datasets encompassed voice measurements from various PD patients and healthy individuals, characterized by different voice recording exercises and conditions and including time and spectral voice features. Machine learning models were trained and validated using these features to differentiate between PD patients and healthy subjects.
Results
Our machine learning model demonstrated high diagnostic accuracy across all datasets. Specifically, the model achieved promising indicators of efficacy, including high averages across datasets of accuracy (99% ± 3.9%), sensitivity (98.8% ± 5.3%), specificity (99.1% ± 5.1%), precision (98.5% ± 4.2%), F1 score (97.9% ± 4.9%), and ROC AUC (99.3% ± 2.7%). The results were consistent across datasets, highlighting the model's robustness and adaptability.
Conclusion
The integration of voice analysis with machine learning offers a promising avenue for the early diagnosis of PD. Given the non-invasive nature and cost-efficiency of voice analysis, this approach could revolutionize early PD detection and monitoring. While the preliminary results are encouraging, further validation in clinical settings and larger cohorts is essential before widespread adoption.
Ionizing radiation effects on microorganisms and its applications in the food industry
Authors: Danyo Emmanuel Kormla , Ivantsova Maria , Selezneva Irina 
Published: November 2023

There are two main types of radiation: ionizing and non-ionizing. Radiations are widely distributed in the earth’s crust with small amounts found in water, soil, and rocks. Humans can also produce them through military, scientific, and industrial activities. Ionizing and nonionizing radiations have a wide application in the food industry and medicine. γ-rays, X-rays, and electron beams are the main sources of radiation used in the food industry for food processing. This review discusses advantages and disadvantages of ionizing radiation on microorganisms and its potential applications in the food industry. We also looked at its advantages and disadvantages.
Studies have revealed that ionizing radiation is used in the food industry to inactivate microorganisms in food products to improve hygiene, safety, and extend shelf life. Microorganisms such as bacteria and fungi are susceptible to high doses of irradiation. However, some bacterial and fungal species have developed an exceptional ability to withstand the deleterious effect of radiation. These organisms have developed effective mechanisms to repair DNA damage resulting from radiation exposure.
Currently, radiation has become a promising technology for the food industry, since fruits, tubers, and bulbs can be irradiated to delay ripening or prevent sprouting to extend their shelf life.
Partitioning blue and green water sources of evapotranspiration using the water evaluation and planning (WEAP) model
Authors: Kidanewold Belete Berhanu , Zeleke Ethiopia Bisrat , Michailovsky Claire , Seyoum Solomon 
Published: November 2023

AbstractUnderstanding agricultural water use by sources such as rainwater (green water) or irrigation water (blue water) is vital to manage scarce freshwater resources. Tracing sources of evapotranspiration increases water management efficiency. This study proposes a two-bucket soil moisture water balance approach to trace sources of evapotranspiration over irrigated landscapes in the Awash Basin, Ethiopia, which is modeled in the water evaluation and planning model. Algorithms are devised to separate actual evapotranspiration into blue and green sources. The results showed annual basin renewable water of 15.78 BCM in the form of streamflow (4.65 BCM), stored water (3.54 BCM), and groundwater percolation (7.59 BCM). Annual actual evapotranspiration over irrigated landscapes was 805 MCM, which was separated as blue evapotranspiration (88.4%) and green evapotranspiration (11.6%). The findings also demonstrate that blue evapotranspiration predominantly occurs during dry months, indicating heavy reliance on stored water for irrigated landscapes. Subbasin-level analyses showed varying blue/green evapotranspiration patterns based on precipitation and irrigated agriculture. Irrigation accounted for less than 3% of the streamflow in upstream basins, while midstream and downstream basins utilized up to 30 and 70%, respectively. The complementary use of rainfall and irrigation in most parts of the basin is considered to be of interest to water managers.
Scinderin Promotes Hydrogen Peroxide-induced Lens Epithelial Cell Injury in Age-related Cataract
Authors: Li Yan , Tang Li , Dang Guanxing , Ma Mengyuan , Tang Xingfang 
Published: November 2023

Background:
Scinderin (SCIN) is a calcium-dependent protein implicated in
cell growth and apoptosis by regulating actin cleavage and capping. In this study, we
investigated the role of SCIN in hydrogen peroxide-induced lens epithelial cell (LEC)
injury related to age-related cataract (ARC).

Methods:
Anterior lens capsules from ARC patients were collected to examine SCIN
expression levels. Immortalized human LEC cell line SRA01/04 and lens capsules
freshly isolated from mice were induced by H2O2 to mimic the oxidative stress in ARC.
The role of SCIN was investigated by gain-of-function (overexpression) and loss-offunction
(knockdown) experiments. Flow cytometry (FCM) and Western-blot (WB)
assays were performed to investigate the effect of SCIN on apoptosis. The oxidative
stress (OS) was examined by detecting malondialdehyde (MDA) level, superoxide
dismutase (SOD) and catalase (CAT) activity. The interaction between SCIN mRNA
and miR-489-3p was predicted by StarBase and miRDB databases and validated by
luciferase reporter activity assay.

Results:
SCIN was significantly elevated in cataract samples, and the expression
levels were positively correlated with the nuclear sclerosis grades. SCIN
overexpression promoted OS and apoptosis in H2O2-induced SRA01/04 cells, while
SCIN silencing showed the opposite effect. We further showed that miR-489-3p was a
negative regulator of SCIN. miR-489-3p overexpression suppressed apoptosis and OS
in H2O2-induced SRA01/04 cells by targeting SCIN.

Conclusion:
Our study identified SCIN as an upregulated gene in ARC, which is
negatively regulated by miR-489-3p. Targeting miR-489-3p/SCIN axis could attenuate
OS-induced apoptosis in LECs.
Perceived Need, Unmet Need for Mental Health Care and Related Factors Among Mothers of Children with Autism Spectrum Disorder in Hamadan, Western Iran
Authors: Ayubi Erfan , Seyedi Mahdieh , Shafiei Roya , Jenabi Ensiyeh 
Published: November 2023

Background:
There is no reliable data on the perceived need of mothers of children
with autism spectrum disorder (ASD) for mental services, and it is unclear how much of mothers'
needs are met in Western Iran.

Objective:
This study aimed to quantify the perceived need and avoidance/delay for mental
health care among mothers of children with ASD and also to elucidate the factors associated with
perceived need and avoidance/delay.

Methods:
This is a cross-sectional study involving all mothers of children with ASD in Hamadan
City, Western Iran. Socio-demographic characteristics, depression, anxiety, stress as well as perceived
need and avoidance/delay, and associated factors were obtained using researcher-made and
standard validated questionnaires. Penalized logistic regression analysis via data augmentation
was used to estimate the odds ratio (OR) and 95% confidence interval (CI).

Results:
In total of 103 mothers, approximately 75% and 61% of mothers reported a perceived
need and avoiding/delaying needed services during the past 12 months, respectively. Psychological
stress and lower family income were significant determinants of the perceived need for mental
health care. Minimization (OR: 6.06; 95% CI: 1.33-27.68), low perceived treatment effectiveness
(4.40; 1.05-18.35), and financial barrier (4.26; 1.01-17.86) were the most important reasons for
avoiding/delaying needed services, respectively.

Conclusion:
The prevalence of perceived needs and unmet needs is high. Effective psychosocial
interventions should be provided to reduce the mental health care gap among mothers of children
with ASD.
Sexual Function and Satisfaction among Women Undergoing In Vitro
Fertilization (IVF) in the West of Iran: A Cross-Sectional Study
Authors: Abdoli Sara , Khazaei Salman , Jenabi Ensiyeh 
Published: November 2023

Background:
We haven’t found any reported study that addressed sexual function and
satisfaction in infertile women who are undergoing IVF treatment in the west of Iran.

Objective:
The present study was conducted to investigate sexual performance and satisfaction
among women undergoing in vitro fertilization (IVF) in Western Iran.

Methods:
This cross-sectional study was conducted on 170 women from December 2022 to
March 2023. The participants were selected by convenience sampling until the sample size was
reached. The participants were included in the study as available sampling. Women completed the
demographic questionnaire, FSFI (female sexual function index), and Linda Berg’s Sexual Satisfaction
Questionnaire. For data analysis, we used the Stata version 14 (StataCorp, College Station,
TX) and we considered the P-value less than 0.05 significant.

Result:
There was a significant relationship between husband occupations, economic status, marriage
duration, period of infertility, cause of infertility, and intercourse times with sexual satisfaction
(P< 0.05). The highest percentage of the obtained score was related to pain (51.6%) and the
lowest was related to desire (38%). All of the patients with weak sexual function had weak sexual
satisfaction and 60.19% of the patients with good sexual function had good sexual satisfaction
(P< 0.001).

Conclusion:
Women with weak sexual function had weak sexual satisfaction. Policymakers
should consider strategies, such as counseling and psychological support for women during the
treatment process to help them cope with their problems, especially psychological problems.
Determining of internal factors affecting compliance of pregnant women in Covid-19 vaccination
Authors: Sari Devi Permata , Elsera Chori , Hamranani Sri Sat Titi 
Published: November 2023

<div class="WordSection1"><p><strong><em>Background:</em></strong><em>Covid-19 vaccination for pregnant women was an effort to prevent and transmit Covid-19 to pregnant women. Obedience of pregnant women is the behavior of pregnant women in accordance with the guidelines. Compliance of pregnant women in the Covid-19 vaccination is important to study because it is to increase the complete adherence of pregnant women in the Covid-19 vaccination, thereby increasing the immunity of pregnant women. Internal factors that can influence pregnant women's</em></p></div><p> </p><p><em>compliance with Covid-19 vaccination include the pregnant woman's age, gestational age, educational status, employment, knowledge, motivation, perception and self- efficacy.</em></p><p><strong><em>Objectives: </em></strong><em>Analyzing the relationship between maternal age, gestational age, educational status, occupation, income, knowledge, motivation, perception, and self- efficacy with pregnant women's adherence to the Covid-19 vaccination.Analyze the internal factors that most influence the adherence of pregnant women in the Covid-19 vaccination.</em></p><p><strong><em>Methods: </em></strong><em>The research design used a quantitative descriptive with a cross sectional approach. The population in this study amounted to 86 pregnant women. The sampling technique used quota sampling with a sample of 46 pregnant women. The research instrument uses a questionnaire that has been tested for validity and reliability. Data analysis using Chi Square Test and multiple regression.</em></p><p><strong><em>Results: </em></strong><em>The results of the study showed that the factor associated with the compliance of pregnant women in the Covid-19 vaccination was gestational age (p value 0.002). Meanwhile, factors that were not related to the compliance of pregnant women in the Covid-19 vaccination were the age of the pregnant mother (p value 0.497), educational status (p value 0.252), occupation (p value 0.829), income (p value 0.605), knowledge (p value 0.351), motivation (p value 0.558), perception (p value 0.295), and self-efficacy (p value 1.000).</em></p><p><strong><em>Conclusions: </em></strong><em>The conclusion of this study is that the factor that most influences pregnant women's adherence to the Covid-19 vaccination is gestational age with a p- value of 0.005 (a = 0.05) and respondents with a younger gestational age are at risk of</em></p><p><em>0.047 times experiencing non-adherence to Covid-19 vaccination.</em></p>