bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of Potential Bioactive Phytochemicals for the Inhibition of Platelet-Derived Growth Factor Receptor β: An integrated docking and MD simulation approach
Authors: Habib Insan , Sulaimani Md Nayab , Hussain Afzal , Gulzar Mehak , Mohammad Taj , Alajmi Mohamed F. , Shamsi Anas , Hassan Md. Imtaiyaz 
Published: April 2024

Abstract

Platelet-derived growth factor receptor beta (PDGFRβ) belongs to the receptor tyrosine kinase (RTK) protein family and is implicated in various diseases, including cancer. Its signaling pathway has been linked to various human meningioma and atherosclerosis. Due to its pivotal role in disease pathogenesis, PDGFRβ has emerged as a promising drug target in cancer therapy and the treatment of other disorders. This study aimed to identify potential PDGFRβ inhibitors through virtual screening of phytochemicals extracted from the IMPPAT database. The initial assessment involved applying the Lipinski rule-of-five to evaluate the physicochemical properties of the molecules. Subsequently, a comprehensive analysis encompassing binding affinity assessment, PAINS filter application, ADMET profiling, and PASS prediction was conducted. Among the screened compounds, Genostrychnine and Chelidonine exhibited remarkable affinity and specificity in their interactions with the PDGFRβ kinase domain. To gain insights into the temporal evolution and dynamics of these interactions, all-atom molecular dynamics (MD) simulations and essential dynamics analysis were employed. These computational techniques provided valuable insights into the behavior and stability of the PDGFRβ-ligand complexes over time. Based on our findings, we propose that Genostrychnine and Chelidonine merit further investigation through in vivo and in vitro studies to evaluate their potential for managing PDGFRβ-associated malignancies. In conclusion, this study underscores the potential of Genostrychnine and Chelidonine as promising PDGFRβ inhibitors. Further experimental investigations are required to validate their efficacy and assess their therapeutic potential for PDGFRβ-related diseases, with a particular focus on cancer management.
A novel approach for assessing the wear status of a milling tool flank based on the entropy generation of friction and thermal conduction
Authors: Zhao Peiyi , Ma Chaoyang , Jiang Bin , Wang Zikang 
Published: April 2024

Abstract

High-efficiency milling cutters are extensively used in the manufacturing industry due to their excellent cutting performance. However, milling vibrations lead to variation in frictional stress and frictional velocity at the tool-worker friction interface so the thermodynamic behavior of a cutter-worker friction system is complex and variable, this makes the wear prediction of the milling cutter’s flank face in the milling process difficult. In this paper. we first developed a model for transient cutting behavior under vibration; based on this, a model for transient contact friction between the flank face of a high-efficiency milling cutter’s teeth and the machining transition surface was developed, and the friction stress and friction velocity at the characteristic points of the flank face were solved with the help of simulation data. The structure of the frictional thermodynamic system of the flank face of the milling cutter teeth was decomposed, and the entropy generation model of friction force due to nonlinear friction variables in the process of high-efficiency milling under the tool offset and different contact angle positions due to milling vibration was developed, as well as the entropy generation model of the milling heat transfer process under frictional extrusion in the third deformation zone. Finally, the wear depth of the tool flank was predicted based on the thermodynamic entropy generation which were used as one of the input variables. The results showed that the relative prediction error of the prediction model was 1.7%, confirming the good accuracy of the prediction model.
Moisture Harvesting Efficacy Utilizing Flower-like ZnO Nanostructures Coated on Cotton Fabrics
Authors: Mardani M. , Rakhshandehroo G. R. , Zerafat M. M. 
Published: April 2024

Abstract

Nanocomposite fabrics have been extensively employed as moisture harvesting media. In this study, flower-like zinc oxide nanostructures were coated on cotton fabrics by precipitation technique at different operational conditions of precursor concentration, temperature, and residence time. Then, the impact of aforementioned parameters on wettability of coated fabrics and morphology of nanostructures were investigated through contact angle measurements and SEM/EDX analyses, respectively. Optimal conditions of the coating process was experimentally determined and later validated by Minitab software. Afterwards, the fabrics prepared at optimal conditions were utilized in moisture harvesting experiments which were planned to scrutinize the effects of 3 parameters; humid airflow rate, temperature, and humidity on the final amount of harvested moisture. Experimental results in terms of water contact angle led to an optimal value of 156°. Moreover, Minitab confirmation of the obtained results revealed that the optimization of coating process occurred at a precursor concentration of 3.1 mM, a temperature of 85°C, and a residence time of 50 minutes. Furthermore, SEM/EDX analyses ascertain the flower-like zinc oxide nanostructure coating as well as its uniform distribution on the fabric surface. The abrasion resistance of the coated nanostructure was evaluated via performing a standard abrasion test proving the coating mechanical stability, as evidenced by a negligible reduction in the contact angle. Finally, optimum moisture harvesting results led to 64.8 mg/cm2.h of water, showing the dominancy of air humidity effect on the amount of harvested moisture as compared to factors such as temperature or airflow.
Commutativity and Compactness of Kth Order Slant Toeplitz Operators
Authors: Singh M. Premjit , Singh Khumballambam Priyobarta , Chongtham Elija , Singh Oinam Nilbir 
Published: April 2024

Abstract

In this paper, commutativity of the compressions of kth order slant Toeplitz operators is discussed. We show that the commutativity and essential commutativity of two compressions of kth order slant Toeplitz operators on H2 are same. We also establish some results on the compactness of the compressions of kth order slant Toeplitz operators. In the last section, we discuss various similarities and differences between compactness and non-compactness of these operators by simply looking at their graphs.
2020 Mathematics Subject Classification: 47B35.
The conservation island effect of commercial hunting of red-legged partridges in agricultural landscapes
Authors: Sánchez-Cano Alberto , Fernandez-de-Simon Javier , Carpio Antonio J. , Barroso Patricia , Cardoso Beatriz , Zearra Jon Ander , Höfle Ursula , Gortázar Christian 
Published: April 2024

Abstract

The global biodiversity crisis, driven by habitat changes to meet escalating food demands, is particularly evident in Mediterranean Europe through agricultural intensification and rural abandonment. Counterintuitively, commercial hunting of red-legged partridge (Alectoris rufa) may benefit biodiversity managing estates for habitat quality rather than for profit. This approach, featuring food and water supplementation, legal predator control, and reduced hunting of European wild rabbit (Oryctolagus cuniculus), fosters favorable biodiversity conditions. Our study in central Spain compared biodiversity in ten commercial partridge hunting estates (treatment areas) with ten agriculture focused landscapes (controls). We detected 75 bird species, 63 in treatment and 52 in control areas. Transect surveys indicated higher bird species richness in treatment areas, alongside extended raptor sightings Muscicapidae and Turdidae were more frequent in treatment areas, likely due to superior habitat conditions. Additionally, rabbits were more abundant in treatment areas, and the endangered Iberian lynx (Lynx pardinus) was exclusively detected there. Non-target species, including rabbits (44.93%) and birds (20.68%), were attracted to partridge feeders and waterers. Our findings suggest that commercial partridge hunting lands by preserving habitat and supporting prey, enhance biodiversity, potentially acting as “conservation islands” with positive effects on biodiversity beyond their borders.
Removal of Tetracycline Using Ultrasound, Ultrasound-Assisted Electrocoagulation, and Electrocoagulation Processes
Authors: ALACAHAN Ömer Faruk , ÖZYONAR Fuat 
Published: April 2024

Abstract

This study examined the elimination of tetracycline (TC) in aqueous samples by electrocoagulation (EC), ultrasonography (US), and US-assisted EC methods. The effects of TC removal with EC method were examined using different type of junctions-MP-P, MP-S, and BP-S-and eight various combinations of aluminum and iron hybrid electrodes. The effectiveness of EC variables on TC and Chemical Oxygen Demand (COD) removal efficiencies was investigated, including combination of hybrid electrodes, initial value of pH, current density, initial concentrate of TC, air flow volume, conductivity of the solution, and connection configuration. The Al-Fe-Fe-Fe electrode configuration, the initial value of pH = 6, the current density = 50 A/m2, concentration of TC = 100 mg/L, the air flow volume = 2 L/min, the solution conductivity = 1000 µs/cm, and the MP-S connection type were found to be the optimal conditions for the 2.5-min EC time. TC and COD removal efficiencies were 96.3% and 91.2%, respectively, under these conditions. Additionally, under optimal operating criteria in the fixed-power, fixed-frequency US-coupled EC process, TC and COD removal efficiencies were 100% and 97.5%, respectively. UV absorbance was measured before and after treatment using EC, U.S., and U.S.-assisted EC techniques. Taking into account electrode, energy, and chemical consumption, the operating costs for EC and EC-US were determined to be 0.215 €/m3 and 0.76 €/m3, respectively. The results showed that the US-assisted EC and EC process was highly effective in removing TC from aqueous solutions.
Mechanism of core-tau unit assembly and inhibition in Alzheimer’s disease
Authors: Mazanetz Michael P. , Marshall Karen E. , Al-Hilaly Youssra K. , Horsley David , Santos Renato X. , Simpson Michael , Kemp Steven J. , Palliyil Soumya , Arastoo Mohammad , Lofthouse Richard , Penny Lewis K. , Porter Andrew J. R. , Harrington Charles R. , Storey John M. D. , Serpell Louise C. , Wischik Claude M. 
Published: April 2024

Abstract
The tau protein (residues 297-391) forms the core of oligomers and filaments that drive neurodegeneration in Alzheimer’s disease (AD). The mechanisms of pathological assembly and pharmacological inhibition need to be understood before novel treatments can be developed. Molecular dynamics modeling, confirmed by immunochemistry, revealed that self-assembly involves initial capture via residues 337-355 and a conformational switch at proline 332, followed by unfolding and zipper-like assembly into a stable H-bonded structure that occludes epitopes within the core domain. Hydromethylthionine (HMT), a clinically active tau aggregation inhibitor (TAI), works by stabilizing the core monomer in a wrapped-up conformation, which prevents its assembly. A pharmacophore model based on the HMT cryptic pocket was used to design novel active TAIs. These discoveries provide a basis for the rational design of new TAIs for the treatment of AD.
Mass transfer of CO2 gas pocket in horizontal pipe flow
Authors: Guo Linjiang , Fang Lei , Li Pengcheng , Ma Yiyi 
Published: April 2024

ABSTRACT
The mass transfer from a stagnant CO2 gas pocket to the flowing water in a horizontal pipe was investigated experimentally, considering the application of pH adjustment by injecting gaseous CO2 for raw water in water treatment industries. In the experiments, the variation of the CO2 gas pocket volume and the corresponding pH values of the pipe flow with time under different conditions were recorded. The mass transfer coefficient of the CO2 gas pocket in the pipe flow was then calculated. The results showed that the injection of gaseous CO2 into the pipe flow could effectively adjust the pH. The volume of the CO2 gas pocket decreased exponentially. Different from most studies on bubble mass transfer, it was found that the ambient CO2 concentration could not be neglected in this study due to the large volume of the gas pocket and the restricted space in the pipe. The mass transfer coefficient increased with the increasing ratio of the CO2 injection rate to the water flow rate and exhibited a sharp reduction as the volume of the CO2 gas pocket decreased by about 80%. The outcomes of this paper can contribute to a better understanding of gas bubble mass transfer in pipe flows.
Nanodelivery Approaches of Phytoactives for Skin Cancers: Current and Future Perspectives
Authors: Yapar Evren Algın , Özdemir Merve Nur , Durgun Meltem Ezgi , Dağıstan Özlem Akbal , Cavalu Simona , Özsoy Yıldız , Kartal Murat 
Published: April 2024

Abstract:
In recent years, there has been an increase in skin cancers due to external factors,
especially environmental factors, and studies on treatment alternatives have gained importance.
Nanomaterials are common, from sunscreen formulas to formulations designed to treat skin cancers
at various stages. Using bioactives has multiple effects in treating skin cancers, which provides
many advantages. In this regard, many phytochemicals gain importance with their antioxidant,
anti-proliferative, anti-inflammatory, antiangiogenic, and analgesic effects. Their delivery
with nanocarriers is on the agenda for phytochemicals to gain the targeted stability, effectiveness,
and toxicity/safety properties. This review presents types of skin cancers, phytochemicals
effective in skin cancers, and their nanocarrier-loaded studies from an up-to-date perspective.
The Pivotal Function of SLC16A1 and SLC16A1-AS1 in Cancer Progress:
Molecular Pathogenesis and Prognosis
Authors: Zhou Yunxi , Tan Fangshun , Wang Zhuowei , Zhou Gang , Yuan Chengfu 
Published: April 2024

Abstract:
More than 300 membranes make up the SLC family of transporters, utilizing an ion gradient
or electrochemical potential difference to move their substrates across biological membranes.
The SLC16 gene family contains fourteen members. Proton-linked transportation of monocarboxylates
can be promoted by the transporters MCT1, which the SLC16A1 gene family encodes. Glycolysis
is constitutively up-regulated in cancer cells, and the amount of lactate produced as a result
is correlated with prognosis. Further speaking, SLC16A1 plays an essential role in controlling the
growth and spread of tumors, according to mounting evidence. Additionally, LncRNAs are the collective
term for all genes that produce RNA transcripts longer than 200 nucleotides but do not convert
into proteins. It has steadily developed into a hub for research, offering an innovative approach
to tumor study as technology related to molecular biology advances. The growing study has uncovered
SLC16A1-AS1, an RNA that acts as an antisense to SLC16A1, which is erroneously expressed
in various types of cancers. Therefore, we compiled the most recent information on the physiological
functions and underlying processes of SLC16A1 and the LncRNA SLC16A1-AS1 during tumor
development to explore their impact on cancer treatment and prognosis.

:
We compiled the most recent information on the physiological functions and underlying processes
of SLC16A1 and the LncRNA SLC16A1-AS1 during tumor development to explore their impact on
cancer treatment and prognosis.

:
Relevant studies were retrieved and collected through the PubMed system. After determining
SLC16A1 and SLC16A1-AS1 as the research object, we found a close relationship between
SLC16A1 and tumorigenesis as well as the influencing factors through the analysis of the research
articles.

:
SLC16A1 regulates lactate chemotaxis while uncovering SLC16A1- AS1 as an antisense RNA acting
through multiple pathways; they affect the metabolism of tumor cells and have an impact on the
prognosis of patients with various cancers.
New 1,3,4‒oxadiazole Quinazolines as Potential Anticancer Agents: Design, Synthesis, Biological Evaluation, and In silico Studies
Authors: Gujja Venkanna , Sadineni Kumaraswamy , Koppula Shiva Kumar , Basireddy Avanthi , Venkanna Banothu , Gunda Shravan Kumar 
Published: April 2024

Background:
A novel series of 1,3,4‒oxadiazole connected to derivatives of quinazolinone
(7a–e and 8a–f) was synthesized in the current investigation, and its anticancer and Topoisomerase‒
II inhibitory activity was evaluated.

Objective:
These findings inspired the design, synthesis, and biological analysis of these
1,3,4‒oxadiazole-quinazolinone analogues as antiproliferative Topo‒II inhibitors.

Methods:
The novel compound structures were determined using mass spectrometry and spectral
methods (IR, NMR: 1H & 13C). The 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide
colourimetric assay has been used to evaluate the anticancer efficacy of these drugs, and Autodock
4.2 provides a description of the docking results. For the more active members, additional biological
tests, such as the Topo‒II inhibition experiment, were performed. These compounds'
physicochemical and ADMET characteristics were examined in more detail.

Results:
In the experiment for antiproliferative activity, compounds 7d, 7e, 8c, 8e, and 8f demonstrated
encouraging cytotoxicity findings against HCT‒116 and HepG2 cancer cell lines, with IC50
values ranging from 3.85 to 19.43 μM. Compounds 7d, 7e, and 8e were the most potent inhibitors
of Topo II with IC50 values of 15.18, 17.55, and 12.59 μM, respectively. Additionally, the docked
compound 8c showed the strongest conventional hydrogen bonds among the residues Leu507(B),
Asn508(B), Asn520(B), and Glu522(B) in the Human topoisomerase‒IIβ active site in the DNA
complex (4G0U) when compared to the findings of docking experiments.

Conclusions:
New findings have discovered the fact that fused 1,3,4‒oxadiazole bearing quinazolinone
contributed great significance in the field of medicinal chemistry due to their diverse biological
properties. Finally, the in silico pharmacokinetic profile of all the synthesized derivatives
was estimated using SwissADME, where some of the compounds followed Lipinski, Veber, Egan,
and Muegge rules without deviation. The result of this activity advises that with a simple modification
in structure, a potent anticancer agent can be generated with good efficacy.
BODIPYs as Fluorogenic Probes for Live-cell Imaging of Lipid Droplets: Photophysical and Computational Studies
Authors: Machado Luana A. , Pereira Cynthia L. M. , de Souza Ana Clara G. , Ferreira Elivelton A. , Marques Flávia F. C. , Orestes Ednilsom , Araujo Maria H. , Paiva Karen L. R. , Mesquita Marina S. , Báo Sônia N. , Pedrosa Leandro F. , Nasim Muhammad Jawad , Jacob Claus , da Silva Júnior Eufrânio N. 
Published: April 2024

Introduction:
Lipid droplets (LDs) serve as primary storage sites for neutral lipids within cells and are crucial for lipid metabolism. Disorders affecting LDs can contribute to the pathogenesis of common metabolic diseases such as obesity and cancer, highlighting the importance of comprehend-ing LD biology in health and disease contexts.

Background:
Fluorescence assays are commonly used for the detection and quantification of lipids in bio-logical samples or lipid-rich environments. In this study, BODIPYs were synthesized and analyzed for structural confirmation. These compounds were subsequently evaluated for photophysical, electro-chemical (cyclic voltammetry) and theoretical analysis, followed by live-cell imaging studies to con-firm their affinity for intracellular lipid droplets.

Results:
BODIPYs have been identified as fluorogenic probes for live-cell imaging studies and found to serve as efficient and selective fluorescent substances for intracellular lipid droplets.

Conclusion:
These BODIPYs, especially 2b, are valuable addition to the expanding toolkit for intra-cellular diagnostics, offering versatility and reliability across various cellular imaging applications.
A Green Synthesis of Au-Ag Alloy Nanoparticles using Polydopamine Chemistry:
Evaluation of their Anticancer Potency Towards Both MCF-7 Cells and their Cancer
Stem Cells Subgroup
Authors: Zhan Honglei , Ding Shiyu , Shen Ruiyu , Lv Yulong , Tian Xinran , Liu Guie , Li Chaoyue , Wang Jihui 
Published: April 2024

Background:
Limited chemotherapy efficacy and cancer stem cells (CSCs)-induced therapeutic resistance
are major difficulties for tumour treatment. Adopting more efficient therapies to eliminate bulk-sensitive
cancer cells and resistant CSCs is urgently needed.

Methods:
Based on the potential and functional complementarity of gold and silver nanoparticles (AuNPs or
AgNPs) on tumour treatment, bimetallic NPs (alloy) have been synthesized to obtain improved or even newly
emerging bioactivity from a combination effect. This study reported a facile, green and economical preparation of
Au-Ag alloy NPs using biocompatible polydopamine (PDA) as a reductant, capping, stabilizing and hydrophilic
agent.

Results:
These alloy NPs were quasi-spherical with rough surfaces and recorded in diameters of 80 nm. In addition,
these alloy NPs showed good water dispersity, stability and photothermal effect. Compared with monometallic
counterparts, these alloy NPs demonstrated a dramatically enhanced cytotoxic/pro-apoptotic/necrotic effect
towards bulk-sensitive MCF-7 and MDA-MB-231 cells. The underlying mechanism regarding the apoptotic
action was associated with a mitochondria-mediated pathway, as evidenced by Au3+/Ag+ mediated Mitochondria
damage, ROS generation, DNA fragmentation and upregulation of certain apoptotic-related genes (Bax, P53 and
Caspase 3). Attractively, these Au-Ag alloy NPs showed a remarkably improved inhibitory effect on the mammosphere
formation capacity of MCF-7 CSCs.

Conclusion:
All the positive results were attributed to incorporated properties from Au, Ag and PDA, the combination
effect of chemotherapy and photothermal therapy and the nano-scaled structure of Au-Ag alloy NPs. In
addition, the high biocompatibility of Au-Ag alloy NPs supported them as a good candidate in cancer therapy.