bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel Furan-2(3H)-one derivatives as promising anticancer agents against liver and breast cancers cell lines: Green Synthesis, Spectroscopic analysis, in Vitro Antiproliferative Activity, and DFT study
Authors: Azmy Eman M. , Mohamed Eslam A. , Altalhi Amal A. , Nassar Ibrahim F. , Rizk Sameh A. , Awad Hanem M. , Lashin Walaa H. 
Published: September 2024

Abstract

Some new biologically active heterocyclic compounds were synthesized upon green reaction of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethylene)-5-phenylfuran-2(3H)-one (L)with different electrophilic and nucleophile reagents under ultrasonic irradiation. The electronic structure of synthesized prepared materials was elucidated using FTIR, 1H-NMR, 13C-NMR, and X-ray diffraction, elemental analysis, and melting point. The new compounds were examined for invitro ant proliferative action towards HepG-2, HCT116, MCF-7, and the normal human skin fibroblasts (BJ-1) cell lines. The results showed that: five investigated compounds could be considered as good selective ant proliferative candidate drugs for only human liver cancer as their effects on this cancer type are much more toxic compared to their toxicity on the human healthy cells. DFT Study of the new compounds showed that pyrrolone derivatives L3, L4, LN, and azapyrrolone L5 (pyrimidinone) have the maximum electron transfer for inhibition for cancer cells.
Experiences and ethical issues during shared decision-making in healthcare at rural health facilities in Uganda: An exploratory qualitative study
Authors: Owino Ranga Solomon , Sewankambo Nelson K. , Kituuka Olivia , Kutyabami Paul 
Published: September 2024

Abstract

Background: Shared decision-making in healthcare is a collaborative process where patients are supported to make informed decisions according to their preferences. Healthcare decisions affect patients' lives which necessitates patients to participate in decisions concerning their health. This study explored experiences and ethical issues related to shared decision-making in a rural healthcare setting.
Methods: An exploratory qualitative study was conducted at Budumba Health Centre III and Butaleja Health Centre III in rural Eastern Uganda. In this study, 23 in-depth interviews were conducted among 12 healthcare providers and 11 patients. Data was analyzed thematically using NVivo-12 plus software.
Results: Four themes emerged which included: experiences, challenges, strategies for improvement, and ethical issues. Patients at both facilities expressed the need to be involved in decision-making processes. However, many stressed that they are not engaged in decision-making about their health. Many healthcare providers noted that shared decision-making could improve patient prognosis but are faced with challenges related to low male involvement and the influence of cultural and religious practices, including myths and patriarchal attitudes which impact effective patient engagement.
Ethical issues included concerns about informed consent, privacy and confidentiality, deception, and harm. This study highlighted the need for better sensitization of patients and comprehensive training for HCPs to minimize and resolve ethical issues that emerge during shared decision-making processes.
Conclusions: There is a need for targeted interventions to enhance decision-making processes in rural healthcare including but not limited to developing shared decision-making manual and continuous training of healthcare providers to ethically engage patients. Further research is needed to explore larger facilities with a bigger scope including patients under 18 years of age and and their surrogates.
New Norms or Old Habits: Evaluating Interlinked Trajectories of Online Shopping and Work Commute Post-Pandemic
Authors: Sharda Shivam , Alonso Patrick , Garikapati Venu , Laguarda Isabel , Goulias Konstadinos , Viz Nicole 
Published: September 2024

Abstract

The COVID-19 pandemic has significantly shifted travel behaviors, with major changes observed in online shopping and travel to work. Despite considerable research into pandemic-induced changes in travel behavior, it remains uncertain whether these new patterns have persisted or reverted to pre-pandemic norms. This study addresses this uncertainty by evaluating whether shifts in online shopping and work travel during the pandemic have become permanently ingrained in individuals’ daily routine. Leveraging data from the 2022 National Household Travel Survey, a bivariate ordered probit model is employed to analyze changes in online shopping and work travel—whether they have increased, decreased, or remained stable compared to pre-pandemic levels across different population segments. The analysis finds that the pandemic did not significantly alter online shopping for home delivery and travel to work for the majority of society. However, a substantial portion of respondents reported increased online shopping for home delivery and reduced travel to work compared to pre-pandemic levels, with online shopping trends appearing more permanent. Segment-wise analysis and model results indicate heterogeneity in behavioral shifts with females engaging more in online shopping, while zero-vehicle households are traveling less to work, compared to pre-pandemic levels. Additionally, increase in online shopping frequency is significantly and negatively correlated with decrease in traveling to work. These findings highlight the need for improved digital infrastructure, flexible work policies, and integrated transportation solutions tailored to evolving demographic and socioeconomic needs in the post-pandemic era. Additionally, the study calls for integrating passenger and freight movement in a single framework rather than treating them in silos.
Comparing IRI-2020 modeled hmF2 and ionosonde measured hmF2 variabilities during the geomagnetically disturbed period of solar cycle 24 over Grahamstown, in South Africa
Authors: Sylivanus Robert , SULUNGU Emmanuel 
Published: September 2024

Abstract

The ionosphere's electron density, particularly the height of the F2 layer's peak electron density (hmF2), is critical for radio wave propagation and satellite communication. Accurate prediction of hmF2 is crucial, especially during geomagnetic disturbances, which can significantly affect ionospheric behavior. This study compared hmF2 values predicted by the ionospheric IRI model with real measurements from ionosondes during geomagnetic storms. We assessed discrepancies between modeled and observed hmF2 values across three distinct geomagnetic storm events, 22–25 October 2009, 26–29 August 2014, and 18–22 February 2014. We categorized geomagnetic disturbances using the Ap and Dst indices. Results indicated that while both SHU-2015 and AMTB-2013 models show varying degrees of accuracy, the SHU-2015 model generally outperforms AMTB-2013 in predicting hmF2, with lower root mean square errors and percentage deviations. The study highlights the need for ongoing model refinement and improved real-time data integration to enhance predictive accuracy during geomagnetic disturbances.
Asymmetric Multi-component Trifunctionalization Reactions with α-Halo Rh-Carbenes
Authors: Qian Yu , Yang Xiaoyan , Zhou Xiaoyu , Hu Wenhao 
Published: September 2024

Abstract

Multi-component multi-functionalization reactions involving active intermediates are powerful tools for rapidly generating a wide array of compounds. Metal carbynoids, with their distinct reactivity, hold great promise for developing new synthetic methodologies. However, their application in catalytic transfer reactions has been hindered by the limited availability of suitable precursors. In this study, we investigate the catalytic potential of α-halo Rh-carbenes, leveraging the concept of metal carbynoids in multi-functionalization reactions. Through a chiral phosphoric acid-catalyzed asymmetric trifunctionalization, we have developed an innovative method for synthesizing a variety of chiral α-cyclic ketal β-amino esters with high yields and excellent enantioselectivity. Our extensive experimental and computational studies reveal that α-halo Rh-carbenes exhibit carbynoid properties, which facilitate the transformation into functionalized Fischer-type Rh-carbenes through the decomposition of the C-halo bond.
Identification of Volatile Compounds in Moringa Pods (Moringa oleifera) During Cooking Using HS-SPME Coupled with GC-MS
Authors: Balasubramanian Rajagopal , Seenivasan Prasanna , Renukadevi Perumal , AU Thangavelu 
Published: September 2024

Abstract

Moringa (Moringa oleifera) is renowned for its therapeutic properties, with the chemical constituents of various plant parts well-documented. However, no study has previously explored the volatile compounds responsible for the characteristic aroma released during cooking of moringa pods, which is commonly practiced in South Indian cuisine “Sambhar.”This study aimed to investigate these volatile compounds using headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography–mass spectrometry (GC-MS). Moringa fruits (variety PKM-1) were harvested during their peak season and prepared using a traditional cooking method to release the aroma volatiles. These volatile compounds were analysed from both the headspace and the boiled water extract. The results revealed the predominant presence of nizatidine (CAS No.: 76963-41-2), an H2-receptor antagonist commonly used to treat ulcers, in the volatile headspace and in the boiled water extract. This discovery suggests that moringa pods might offer gastrointestinal therapeutic benefits, potentially due to the bioavailability of Nizatidine when consumed as part of regular meals. This study contributes to a deeper understanding of the volatile compounds in moringa pods and proposes further investigation into their therapeutic potential.
Comparative analysis of selected gene expression profiles in peripheral blood mononuclear cells in patients with rosacea and healthy volunteers
Authors: Tserikidze N. G. , Soboleva A. G. , Sobolev V. V. , Sakaniya L. R. , Potekaev N. N. , Korsunskaya I. M. 
Published: September 2024

Introduction. Rosacea is a chronic skin disease with about 10% prevalence in the global population. The pathogenesis of the disease is multifactorial and is not yet fully understood. The dermatosis affects the facial skin and is characterized by persistent erythema, the formation of telangiectasias, papules, pustules, and can also be complicated by ophthalmic lesions.The disease is rooted in impaired neurovascular regulation and changes in the innate immune systems. It is known that the expression of vascular endothelial growth factors (VEGF) in the skin are increased in rosacea and the level of myeloperoxidase, a lymphocyte lysosomal enzyme, is increased in the inflammatory processes occurring in the arteries.Aim. To study the level of these gene expression in blood lymphocytes in the acute stage of the disease.Materials and methods. A total of 10 patients with erythematous rosacea, 10 patients with papulopustular rosacea and 10 healthy volunteers were included in the study. The peripheral blood samples were collected from the subjects for further isolation of lymphocytes. The level of gene expression was determined by real-time polymerase chain reaction.Results. Investigators observed a 3.7-fold increase in the activity of myeloperoxidase expression in immune blood cells compared to the values of healthy volunteers. Also, the level of relative VEGFA expression increased by 6.5 times, the level of VEGFС increased by 11 times in mononuclear lymphocytes of patients compared to the values of healthy subjects. A comparative analysis in the groups of patients with erythematous and papulopustular rosacea showed a multidirectional expression pattern of vascular growth factors VEGFA and VEGFС. An increase in VEGFA expression is observed in the papulopustular rosacea, while VEGFС is higher in the erythematous form of the pathology.Conclusion. The obtained results demonstrate that a significant increase in the gene expression levels associated with vascular activity and angiogenesis in rosacea occurs not only in the skin, but also in the peripheral blood mononuclear lymphocytes of the patients. The detected differences in the expression of vascular growth factors in different forms of the disease indicate the need for differentiated treatments.
Review of modern melasma treatment methods
Authors: Bychkova N. Yu. , Lemytskaya V. E. , Sokolovskaya Yu. A. , Zhukova O. V. , Kasikhina E. I. 
Published: September 2024

Melasma is a common, difficult-to-treat pigmented skin disease characterized by a recurrent course. The article provides an overview of the etiology, pathogenesis and principles of melasma therapy. The multifactorial nature of the disease was noted, including genetic predisposition, exposure to ultraviolet and visible light, and hormonal factors. It is known that visible light, especially high-energy visible light with a wavelength of 400–500 nm (High Energy Visible Light, HEV rays, blue light), and long-wavelength UVA rays (370–400 nm) exacerbate the course of melasma. The importance of an integrated approach to treatment, including the elimination of trigger factors, pathogenetic therapy and mandatory photoprotection using modern broad-spectrum sunscreens, is emphasized. Special attention is paid to the need to inform patients about the chronic nature of melasma and the importance of prolonged therapy. The article considers a multi-level treatment regimen based on the use of topical drugs and peels as first-line therapy, with careful and balanced use of hardware methods at subsequent stages. The key principles of hyperpigmentation therapy are described, namely, inhibition of melanogenesis, reduction of melanosome transport and acceleration of melanin elimination processes. Given example of modern depigmenting topical treatment containing Thiamidol (Beiersdorf AG patent), which contribute to the improvement of mMASI (Modified Melasma Area and Severity Index) after 2 weeks of usage, and justified treatment with Thiamidol for monoand combination therapy of melasma. The proposed three-stage treatment regimen, adapted to the severity of the disease, makes it possible to optimize therapeutic tactics taking into account the individual characteristics of the patient.
Wastewater remediation using advanced oxidation processes (AOPs)
Authors: Shrivastava Preeti R. , Mategaonkar Meenal 
Published: September 2024

ABSTRACT
Addressing the escalating global water demands, due to rapid population growth, especially hydrogen peroxide-based treatments, offer promising avenues for efficient water treatments while minimizing environmental impact. In Mumbai, India, where water demands are intensifying, this study explores the application of hydrogen peroxide as an eco-friendly and highly reactive oxidizing agent for wastewater treatment. The research aims to replace conventional aeration methods with AOPs to reduce treatment time and space. The study demonstrates the effectiveness of hydrogen peroxide in significantly improving water quality, as the water quality index shows a 93% reduction in the post-treatment of contaminants. Additionally, the National Sanitation Foundation Water Quality Index (NSFWQI) indicates improvements from 100 to 200%. These findings underscore the potential of AOPs, particularly hydrogen peroxide, to offer sustainable alternatives for domestic wastewater treatments. By leveraging AOPs, municipalities can enhance water treatment efficiency, supporting efforts to meet escalating water demands sustainably amid population growth.
A Molecular Dynamic Simulation, Structural Analysis, and Ex Vivo Insights into the P-glycoprotein Mediated Interactions of Dietary Polyphenols with Cyclin-dependent Kinase Inhibitors: A Potential Strategy to Counteract Drug Efflux
Authors: Patil Prajakta Harish , Desai Mrunal Pradeep , Anand Vullendula Sai Krishna , Ray Rajdeep , Shenoy G. Gautham , Dengale Swapnil Jayant , Bhat Krishnamurthy , Channabasavaiah Jagadish Puralae 
Published: September 2024

Introduction:
P-glycoprotein, an ATP-dependent efflux transporter, plays a
crucial role in eliminating cellular toxins and affects the intracellular concentration and
bioavailability of CDK 4/6 inhibitors. Moreover, dietary flavonoids are natural bio-enhancers
that can effectively inhibit the efflux function of these transporters. Therefore,
this study aimed to assess the impact of dietary polyphenols on the inhibition of P-glycoprotein
and the subsequent efflux of CDK inhibitors palbociclib and ribociclib.

Methods:
A molecular docking approach was implemented to evaluate the binding interaction
characteristics of CDK4/6 inhibitors in the presence of dietary polyphenols at the
ATP binding site. Furthermore, the stability of the complexes was evaluated in two conformations
of P-glycoprotein, followed by an ex vivo everted gut sac experiment.

Results:
The findings demonstrated that the binding of curcumin and quercetin with
high affinity (-51.63 and -47.16 Kcal/mol) to ATP binding sites of P-glycoprotein-palbociclib
and ribociclib inward conformation complexes resulted in good stability of complex
and minimal fluctuation throughout the course of the simulation. It was evident
from the everted gut sac ex vivo study that the presence of 100 μM of curcumin resulted
in an increase of 1.77 and 4.20-fold in the intestinal transit of palbociclib and ribociclib,
respectively.

Conclusion:
The study emphasizes the significance of curcumin and quercetin as inhibitors
of P-glycoprotein, demonstrating their potential to decrease the efflux of palbociclib
and ribociclib, consequently contributing to their bioavailability enhancement.
Extracorporeal Shock Wave and Melatonin Alleviate Joint Capsule Fibrosis after Knee Trauma in Rats by Regulating Autophagy
Authors: Mao Jing , Zhang Jin-Niu , Zhang Quan-Bing , Zhu De-Ting , Li Xue-Ming , Xiao Han , Kan Xiu-Li , Zhang Run , Zhou Yun 
Published: September 2024

Background:
Joint contracture is a common clinical problem affecting joint
function. Capsule fibrosis plays a pivotal role in the progression of Joint contracture.
Previous studies have reported that autophagy plays a regulatory role in visceral
fibrosis.

Objective:
This study aimed to investigate whether extracorporeal shock wave
therapy (ESWT) and melatonin alleviate joint capsule fibrosis in rats with extended
knee joint contracture by regulating autophagy.

Methods:
A rat traumatic knee joint extension contracture model was made. Then, the
rats were treated with ESWT, melatonin, ESWT + melatonin, or ESWT + melatonin +
mTOR agonist for 4 weeks. The range of motion (ROM) of the knee joints was
measured. Joint capsules were collected and observed for pathological changes by
H&E and Masson staining. LC3B protein expression was evaluated by immunofluorescence
staining. TGF-β1, MMP-1, Col-Ⅰ, Col-Ⅲ, LC3, ATG7, Beclin1, p-AMPK,
p-mTOR and p-ULK1 protein expressions were measured by Western blot assay

Results:
The intervention groups had significantly improved ROM of knee joint (P <
0.05), significantly improved pathological changes on HE and Masson staining,
significantly decreased protein expressions of TGF-β1, MMP-1, Col-Ⅰ, Col-Ⅲ and pmTOR
(P < 0.05), and significantly increased protein expressions of LC3B, LC3II/LC3I
ratio, ATG7, Beclin1, p-AMPK, and p-ULK1 (P < 0.05). Among these groups, the
effects demonstrated by the ESWT + melatonin group were the best. With the mTOR
agonist supplement, the therapeutic effects of extracorporeal shock waves and
melatonin were significantly reduced.

Conclusion:
ESWT plus melatonin alleviated knee joint capsule fibrosis in rats by
regulating autophagy.
Detection Of CCR5 Delta-32 Mutation Using High-Resolution Melting Curve Analysis: Challenges and Facts
Authors: Kiani Seyed Jalal , Donyavi Tahereh , Bokharaei-Salim Farah 
Published: September 2024

Introduction:
The C-C chemokine receptor type 5 (CCR5) is a major co-receptor for
human immunodeficiency virus (HIV). Some individuals carry the CCR5 delta-32 genetic polymorphism.
People with homozygous CCR5 delta-32 gene are nearly completely resistant to
HIV-1 infection. High-resolution melting curve (HRM) analysis is a post-PCR technique utilized
for identifying genetic variations in a quick, affordable, and closed-tube assay. The objective of
this study was to develop an HRM assay for easy detection of delta-32 mutations.

Materials and Methods:
DNA was extracted from peripheral blood mononuclear cells. HRM was
performed to detect delta-32 mutation. The study investigated the impact of various factors, including
annealing temperature, template concentration, touchdown PCR, additives, amplicon size,
and program settings, on HRM Tm differentiation.

Results:
It was expected that there would be a 4°C Tm difference between amplicons with and
without delta-32 mutation, but the test showed a difference of only 2.3°C. In attempts to identify
heterozygote delta-32 variants, a Tm difference of only 0.4°C could be achieved. Various modifications
were applied, such as adjusting the template concentration, using touchdown PCR, and adding
DMSO and glycerol. However, none of these changes helped to differentiate the Tm effectively,
especially in delta-32 heterozygote samples.

Conclusion:
The HRM test identified four samples with heterozygote mutations in each HIV-infected
(8.89%) and control (5.72%) groups. More importantly, this study showed that identifying
the delta-32 mutation of the CCR5 gene using HRM assay is not as straightforward as previously
suggested in some literature, and it requires special setup conditions.

conclusion:
The HRM test identified four samples with heterozygote mutations in each HIV-infected (8.89%) and control (5.72%) groups. More importantly, this study showed that identifying the delta-32 mutation of the CCR5 gene using HRM assay is not as straightforward as previously suggested in some literature, and it requires special setup conditions.
Investigating the Effect of COVID-19 on Pregnancy-Induced Hypertension (HTN): A Case-Control Study
Authors: Fathabad Mohadeseh Nazari , Raesi Rasoul , Hushmandi Kiavash , Kargar Shiva , Safipour Haniyeh , Daneshi Salman 
Published: September 2024

Background:
Suppression of the body's immune system can cause high blood pressure.
Also, many people with COVID-19 have underlying diseases, including high blood pressure.

Aim:
This study was conducted to investigate the effect of COVID-19 infection on blood pressure
caused by pregnancy in women referred to Kashani Hospital in Jiroft City.

Methods:
This study was a case-control study with a census sampling method on 266 pregnant women
referring to Kashani Hospital in Jiroft City in 2021-2022. Pregnant women were divided into
two control groups (pregnant women without COVID-19) and intervention (pregnant women with
COVID-19). SPSS software version 22 was analyzed.

Results:
266 pregnant women participating in the study were divided into two equal control (133)
and intervention (133) groups. The average age of pregnant women was 29 ± 6.8 years. The average
systolic and diastolic blood pressure in the intervention group was 112.6 and 70, and in the
control group, it was 107.8 and 66.6, which was not statistically significant (P_Value>0.05). Also,
the results showed that there was a difference between home blood pressure during pregnancy and
there is a statistically significant relationship between the age of pregnant women (P_Value<
0.05).. while there is no significant statistical relationship between gestational age and body
mass index (P_Value>0.05).

Conclusion:
According to the results of this study, COVID-19 affects blood pressure caused by
pregnancy, and gestational age is an important factor in the prevalence of high blood pressure in
women with COVID-19.