bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and Evaluation of 5-Oxo-1,2,4-triazole-3-carboxamide Compounds as Promising Anticancer Agents: Synthesis, Characterization, In vitro Cytotoxicity and Molecular Docking Studies
Authors: Balavanthapu Rajitha , Sastry Vedula Girija 
Published: January 2025

Background:
Cancer presents a significant global health challenge, necessitating effective treatment
strategies. While chemotherapy is widely employed, its non-specific nature can induce adverse effects on normal
cells, prompting the exploration of targeted therapies. The 1,2,4-triazole scaffold has emerged as a promising
element in anticancer drug development due to its structural diversity and potential to target cancer cells.

Objective:
This study aims to synthesize and evaluate novel derivatives derived from the 1,2,4-triazole scaffold
for their potential as anticancer agents. Molecular docking techniques are employed to investigate the interactions
between the designed derivatives and specific cancer-related targets, providing insights into potential underlying
mechanisms.

Methods:
The synthesis involves a three-step process to produce 5-oxo-1,2,4-triazole-3-carboxamide derivatives.
Various analytical techniques, including NMR and HRMS, validate the successful synthesis. Molecular docking
studies utilize X-ray crystal structures of EGFR and CDK-4 obtained from the Protein Data Bank, employing the
Schrödinger suite for ligand preparation and Glide's extra-precision docking modes for scoring.

Results:
The synthesis yields compounds with moderate to good yields, supported by detailed characterization.
Molecular docking scores for the derivatives against EGFR and CDK-4 revealed diverse affinities influenced by
distinct substituents. Compounds with hydroxyl, and halogen, substitutions exhibited notable binding affinities,
while alkyl and amino substitutions showed varying effects. The 1,2,4-triazole derivatives demonstrated potential
for targeted cancer therapy.

Conclusion:
The study highlights the successful synthesis of 5-oxo-1,2,4-triazole-3-carboxamides and their diverse
interactions with cancer-related targets. The findings emphasized the potential of these derivatives as candidates
for further development as anticancer agents, offering insights into structure-activity relationships. The
1,2,4-triazole scaffold stands out as a promising platform for advancing cancer treatment with enhanced precision
and efficacy.
Selected Metal (Au, Ag, and Cu) Complexes of N-heterocyclic Ligands as Potential Anticancer Agents: A Review
Authors: Alshamrani Meshal 
Published: January 2025

Abstract:
Nitrogen-based organic heterocyclic compounds are an important source of therapeutic agents. About
75% of drugs approved by the FDA and currently available in the market are N-heterocyclic organic compounds.
The N-heterocyclic organic compounds like pyridine, indole, triazoles, triazine, imidazoles, benzimidazoles,
quinazolines, pyrazoles, quinolines, pyrimidines, porphyrin, etc. have demonstrated significant biological activities.
These heterocyclic organic compounds also coordinate with various metal ions and form coordination compounds.
Most of them have shown improved biological activities. The research on the metal complexes of these
compounds reported their significant biological activities. N-heterocyclic-based metal complexes showed outstanding
anticancer activities against different cancer cell lines, including VEGFR-2, HT-29, MDA-MB-231,
MCF-7 K562, A549, HepG2, HL60, A2780, WI-38, Colo-205, PC-3, and other cancer cell lines. Some of these
compounds showed better anticancer activity than cisplatin. In this review, we summarized the anticancer properties
of N-heterocyclic-based gold (Au), silver (Ag), and copper (Cu) complexes and explored the mechanisms of
action and potential structure-activity relationships (SAR) of these complexes. Our goal is to assist researchers in
designing highly potent N-heterocyclic-based Au, Ag, and Cu complexes for the potential treatment of various
cancers.
Anti-metastasis Effects and Mechanism of Action of Curcumin Analog (2E,6E)-2,6-bis(2,3-dimethoxybenzylidene) Cyclohexanone (DMCH) on the SW620 Colorectal Cancer Cell Line
Authors: Che Rahim Nurul Fattin , Hussin Yazmin , Aziz Muhammad Nazirul Mubin , Masarudin Mas Jaffri , Abd Gani Shafinaz , Akhtar Muhammad Nadeem , Nik Abd. Rahman Nik Mohd Afizan , Alitheen Noorjahan Banu 
Published: January 2025

Background:
Colorectal cancer (CRC) is the second-leading cause of cancer-related deaths. Curcumin
has been reported to have suppressive effects in CRC and to address the physiological limitations of curcumin, a
chemically synthesized curcuminoid analog, known as (2E,6E)-2,6-Bis (2,3-Dimethoxy benzylidine) cyclohexanone
(DMCH), was developed and the anti-metastatic and anti-angiogenic properties of DMCH in colorectal cell
line, SW620 were examined.

Methods:
The anti-metastatic effects of DMCH were examined in the SW620 cell line by scratch assay, migration,
and invasion assay, while for anti-angiogenesis properties of the cells, the mouse aortic ring assay and Human
Umbilical Vein Endothelial Cells (HUVEC) assay were conducted. The mechanism of action was determined
by microarray-based gene expression and protein analyses.

Results:
The wound healing assay demonstrated that wound closure was decreased from 63.63 ± 1.44% at IC25
treatment to 4.54 ± 0.62% at IC50 treatment. Significant (p<0.05) reductions in the percentage of migrated and
invaded cells were also observed in SW620, with values of 36.39 ± 3.86% and 44.81 ± 3.54%, respectively.
Mouse aortic ring assays demonstrated a significant reduction in the formation of tubes and microvessels. Microarray
and protein profiler results revealed that DMCH treatment has modulated several metastases, angiogenesisrelated
transcripts, and proteins like Epidermal Growth Factor Receptor (EGFR), TIMP-1 (TIMP Metallopeptidase
Inhibitor 1) and Vascular Endothelial Growth Factor (VEGF).

Conclusion:
DMCH could be a potential anti-cancer agent due to its capability to impede metastasis and angiogenesis
activities of the SW620 colorectal cancer cell line in vitro via regulating genes and protein in metastases
and angiogenesis-related signalling pathways.
Exploring the Impact of Extended Amino Acid Supplementation on Body Composition and Psychopathology in Patients with Eating Disorders Undergoing Psycho-Nutritional Rehabilitation
Authors: Napolillo Michela , Ragione Laura Dalla , Iaco Giulia De , Mococci Tania , Sacco Roberto , Marucci Simonetta 
Published: January 2025

Background:
Eating disorders are frequently linked to protein-energy malnutrition, resulting
from chronic energy intake reduction, and leading to reduced body weight and altered
body composition. A nutritional approach based on the supplementation with a mixture of essential
amino acids has proven effective in conditions characterized by reduced dietary intake and increased
degradation of endogenous proteins and might also contribute to correct the amino acid deficiency
possibly involved in the pathogenesis of eating disorders.

Objective:
This study aimed to explore the effects of amino acid supplementation in conjunction
with a standard psycho-nutritional rehabilitation program on body composition, symptoms and
psychopathology status in 30 female patients with eating disorders hospitalized at the Residenza
Palazzo Francisci in Todi, Italy.

Methods:
Enrolled patients were divided in two groups receiving amino acid supplementation for
45 and 90 days, respectively. Each patient underwent bioelectrical impedance analysis at baseline,
after 45 days and after 90 days. Validated psychometric tests were administered at study entry and
study end to all enrolled patients.

Results:
Results from bioelectrical impedance analysis suggest that amino acid supplementation
contributes to restoring nutritional and metabolic balance, with effects proportional to the duration
of administration. Conversely, interpreting the effects on psychopathologic state and symptoms
was challenging, probably due to the small sample size and short observation period.

Conclusions:
Prolonged amino acid supplementation may play a role in the management of patients
with eating disorders, favoring the correction of the catabolic state and possibly contributing
to improvement of the psychopathologic state.
The Impact of Climate Change on the Reinforcement Durability of Concrete Bridge Structures
Authors: Alsultani Riyadh , Saber Qahtan Adnan , Al-Saadi Ahmed Ashor , Mohammed Omran I , Abed Sabah Mohammed , Naser Raghda Ali , Hussein Alaa , Muslim Fatima , Fadhil Haneen , Karim Ibtisam R. , Khassaf Saleh I. 
Published: January 2025

Background
Climate change poses significant challenges to the durability of concrete bridge structures, particularly regarding the corrosion of reinforcement. Iraq, due to its geographical location, is particularly vulnerable to greenhouse gas emissions, with carbon dioxide (CO2) being the most prominent. The country's heavy reliance on energy resources like coal, gas, and oil exacerbates air pollution, further compounding environmental concerns. Corrosion of reinforcement in concrete infrastructure, including bridges, is primarily driven by the presence of atmospheric CO2. The risk of corrosion increases with rising CO2 levels associated with global warming, leading to potentially catastrophic damage that is costly to repair.

Methods
This study employs a probabilistic technique to predict the damage potential of concrete infrastructure exposed to carbonation resulting from elevated temperatures and CO2 concentrations.

Results
The findings reveal a significant increase in the risk of damage from carbonation in certain regions of Iraq, with potential rises exceeding 400% by 2100. Additionally, rising temperatures elevate the likelihood of chloride impact by up to 15% over the same period. However, these assessments do not consider changes in ocean acidity in marine exposure, which could further exacerbate the effects of climate change on concrete infrastructure.

Conclusion
The results underscore the urgent need for proactive measures to mitigate the impact of rising atmospheric CO2 levels on the durability of bridge structures in the face of climate change.
Micromorphological Features, DNA Barcoding and Nutraceutical Compounds of Two Edible Flowers: Petunia × Hybrida and Verbena Bonariensis
Authors: Copetta Andrea , Marchioni Ilaria , Najar Basma , Bazzicalupo Miriam , Frigerio Jessica , Betuzzi Federica , Ruffoni Barbara , Pistelli Luisa , Cornara Laura , Pistelli Laura 
Published: January 2025

Introduction
Petunia × hybrida and Verbena bonariensis are two herbaceous taxa with edible flowers originating from South America. Despite the well-known ornamental value of these taxa, their potential as a food source remains underexplored.

Methods
Therefore, in our study, the flowers of P. × hybrida and V. bonariensis obtained from plants grown organically in a greenhouse were identified via DNA barcoding analysis and investigated to characterize the micromorphological features, composition in nutrients, nutraceutical compounds, and spontaneous emission of volatile compounds. P. × hybrida flowers exhibited greater levels of crude proteins, carotenoids, and antioxidant activity. In contrast, V. bonariensis had a higher content of total soluble sugars, total polyphenols, total flavonoids, and ascorbic acid. The DNA sequences obtained from both taxa returned maximum identity and were submitted to GenBank.

Results
Both taxa displayed characteristic anthocyanin patterns and taxon-specific glandular trichomes, rich in secondary compounds such as terpenoids, mucilages, and polyphenols. The fragrance and flavor detected for these edible flowers were also dependent on taxon-specific VOCs patterns: P. × hybrida VOCs were rich in non-terpene compounds, predominantly comprising esters (61.6%), especially methyl nonadecanoate (21.7 ± 0.3%) and methyl benzoate (12.7 ± 0.3%); V. bonariensis was characterized by terpenoids, particularly the monoterpene hydrocarbon (E)-β-Ocimene (47.6 ± 2.0%).

Conclusion
Our interdisciplinary study provides the first data for the authentication of these taxa. These data underline the high nutraceutical value of these edible flowers and will also be useful in the case of commercial exploitation.
Updates on the Anticancer Profile of Lycopene and its Probable Mechanism Against Breast and Gynecological Cancer
Authors: khurana Suman , Sharma Shrestha , Goyal Parveen Kumar 
Published: January 2025

Abstract:
Natural substances are gaining interest as anticancer agents nowadays due to the adverse
effects of synthetic drugs. Among various natural substances, lycopene has emerged as a strong antioxidant
agent and has been found to be effective against prostate, breast, colon, ovarian, liver, endometrial
cancers, etc. This article reviews the therapeutic potential and proposed mechanism of action
of lycopene against breast and gynecological cancer from 2005 to now. Experimental studies suggest
that lycopene can inhibit tumor growth by regulating various signaling pathways for cell growth,
arresting the cell cycle, and inducing cell apoptosis. Lycopene is reported to combat breast cancer
specifically via mechanisms, such as regulation of expression of p53 and Bax, suppression of cyclin
D, inhibiting the activation of ERK and Akt signaling pathway, and gynecological cancer via various
signaling pathways such as STAT3, Nrf2, and NF- κB, down-regulation of ITGB1, ITGA5, FAK,
MMP9, and EMT markers, etc.
AeroGlan: A Smart and Sustainable Plant Species Estimator For Organic And Localized Air Filtering
Authors: Mishra Sushruta , Biswas Reetam , Sharma Vandana , Alkhaldi Nora , Saraee Mo , Khan Surbhi Bhatia 
Published: January 2025

Introduction:
Human health is significantly compromised by air pollution, especially
by local air quality. The majority of our society spends their lives in a confined geographical location,
which if subjected to air pollution can expose them to long-term air contamination. It is also
possible that poor air quality can pose serious health risks, especially to susceptible individuals
thereby impacting their lifestyle. Air quality can be improved with appropriate plantation, but they
are underutilized. Various air purification devices have been developed in response to the everincreasing
air pollution level.

Method:
However, artificial means of air purification are not very viable in terms of cost, accessibility
to society, and reliable tools to purify air. This research integrates traditional solutions with
modern technology to counter air purification by selectively using plant species and placing them
in desired locations suitable for urban settings. The study aims to measure the constituents of various
air pollutants spanning across regions to identify and accumulate pollution data using IoTbased
smart devices, remit, and feed this information to cloud-based storage for further processing.
In addition, advanced predictive intelligence is utilized to determine the plant species that
can suffice the need for air purification through organic means in a given geographical zone resulting
in enhancement of Air Quality (AQ), with minimal cost, prolonged shelf life, future proof
and non-detrimental consequences.

Results:
Implementation outcome gives a promising outcome. Accurate readings of various air
pollutants are aggregated. Suitable trees are identified to tackle these pollutants and their absorbing
capacity is determined. Various predictive methods are employed and the random forest model
recorded the best results. The sensory units of the model successfully captured the pollutant data
and any major fluctuations were reported. The prediction pipeline recorded a mean precision, recall,
and f-score value of about 0.95, 0.92, and 0.94 respectively while the mean accuracy of 0.965
was also noted. The observed training and validation accuracy with our model were 0.96 and 0.93
respectively.

Conclusion:
Hence, the proposed ‘AeroGlan’ model may be locally applied as an air pollutants
monitoring device and also to suggest suitable plant species required to counter air contamination
in that locality.
Energy Optimization Dispatch for Multiple Interconnected Microgrids with a Low-Carbon Economy Objective
Authors: Jiang Haoyu , Yang Jun , Lu Tao , Wang Jiang , Luo Yashuai 
Published: January 2025

Background:
The multi-microgrid interconnection system is an effective method to
solve the problem of distributed energy consumption, enhance the stability and reliability of the
power grid, connect multiple microgrids with the main power grid, and achieve energy sharing
and exchange, thereby improving energy utilization and reducing transaction costs.

Objective:
Develop advanced multi-microgrid energy optimization scheduling strategy, which can
better integrate and utilize renewable energy, reduce carbon emissions, obtain more economic energy
scheduling scheme, and reduce operation and maintenance costs.

Methods:
It achieves a three-layer scheduling strategy by coordinating microgrids with the main
grid, microgrids with other microgrids, and distributed power sources within microgrids. It first
satisfies the maximum consumption of renewable energy in multi-microgrid systems, and then
satisfies the economic scheduling between multi-microgrids and the main grid, thus achieving the
goal of low-carbon economic operation. When scheduling, priority should be given to coordinating
the energy flow among microgrids. When the distributed power sources within a microgrid
cannot satisfy the electricity demand, or when the electricity demand is too low, resulting in the
energy storage system (ESS) being fully charged and leading to an excess of renewable energy,
the interconnection scheduling between microgrids and the main grid should be initiated to
achieve optimal energy sharing scheduling.

Results:
To validate the effectiveness of the proposed model, a case study involving three interconnected
microgrids was conducted. A comparison is made between the proposed optimized dispatch
model and the scenario where microgrids are not interconnected. The results indicate a total
cost reduction of 128.1 CNY and an environmental governance cost reduction of 13 CNY.

Conclusion:
The results demonstrate that the proposed economic dispatch model for interconnected
microgrids reduces both operational and environmental governance costs, enhances the
utilization of renewable energy, decreases pollutant emissions, and aligns with the operational
goals of a low-carbon economy. The feasibility and effectiveness of this method for energy
scheduling in multi-microgrid interconnected systems are verified.
Toward Personalized Digital Experiences to Promote Diabetes Self-Management: Mixed Methods Social Computing Approach
Authors: Singh Tavleen , Roberts Kirk , Fujimoto Kayo , Wang Jing , Johnson Constance , Myneni Sahiti 
Published: January 2025

Abstract

Background
Type 2 diabetes affects nearly 34.2 million adults and is the seventh leading cause of death in the United States. Digital health communities have emerged as avenues to provide social support to individuals engaging in diabetes self-management (DSM). The analysis of digital peer interactions and social connections can improve our understanding of the factors underlying behavior change, which can inform the development of personalized DSM interventions.

Objective
Our objective is to apply our methodology using a mixed methods approach to (1) characterize the role of context-specific social influence patterns in DSM and (2) derive interventional targets that enhance individual engagement in DSM.

Methods
Using the peer messages from the American Diabetes Association support community for DSM (n=~73,000 peer interactions from 2014 to 2021), (1) a labeled set of peer interactions was generated (n=1501 for the American Diabetes Association) through manual annotation, (2) deep learning models were used to scale the qualitative codes to the entire datasets, (3) the validated model was applied to perform a retrospective analysis, and (4) social network analysis techniques were used to portray large-scale patterns and relationships among the communication dimensions (content and context) embedded in peer interactions.

Results
The affiliation exposure model showed that exposure to community users through sharing interactive communication style speech acts had a positive association with the engagement of community users. Our results also suggest that pre-existing users with type 2 diabetes were more likely to stay engaged in the community when they expressed patient-reported outcomes and progress themes (communication content) using interactive communication style speech acts (communication context). It indicates the potential for targeted social network interventions in the form of structural changes based on the user’s context and content exchanges with peers, which can exert social influence to modify user engagement behaviors.

Conclusions
In this study, we characterize the role of social influence in DSM as observed in large-scale social media datasets. Implications for multicomponent digital interventions are discussed.