bluuebunny/crossref_metadata_2025_split huggingface dataset:
In silico and ADMET study of Morinda longissima phytochemicals against TNF‐α for treatment of inflammation‐mediated diseases
Authors: Ha Nguyen Xuan , Anh Hoang Thi Ngoc , Khanh Pham Ngoc , Ha Vu Thi , Ha Nguyen Viet , Huong Tran Thu , Cuong Nguyen Manh 
Published: March 2024

AbstractMorinda longissima Y. Z. Ruan (“Nhó đông") belongs to the Rubiaceae family. In Vietnam, the stems and roots of this plant are commonly used to treat liver diseases, such as viral hepatitis and acute and chronic cirrhosis. A phytochemical study of this hepatoprotective plant revealed the presence of 21 natural compounds of different classes, including iridoids, naphthalene glycosides, and especially anthraquinones and anthraquinone glycosides. The primary goal of this study was to investigate the anti‐inflammatory potential of bioactive molecules from M. longissima targeted against TNF‐α using a molecular docking approach. The results revealed that two anthraquinone glycosides, morindone‐6‐O‐β‐gentiobioside (1) and lucidin‐3‐O‐β‐primeveroside (2), had good binding affinities (∆G values of ‐9.21 and ‐8.75 kcal/mol, respectively), better than that of the TNF‐α inhibitor, SPD‐304 (‐8.71 kcal/mol). The in silico ADME parameters of (1) and (2) and other compounds showed good bioavailability based on their absorption, distribution, metabolism, and excretion parameters. In addition, the oral toxicity of these compounds was determined to be low and safe. All this evidence showed it is worth further study and the development of potential anthraquinone glycosides from M. longissima roots as TNF‐α natural inhibitors for the treatment of inflammatory diseases such as rheumatoid arthritis, sclerosis, and hepatitis.
Synthesis, spectral features, electronic structure studies, and molecular docking analysis of a Schiffbase (E)‐1‐(4‐chlorophenyl)‐N‐(nitrophenyl)methanimine from 4‐chloroaniline and 2‐nitrobenzaldehyde
Authors: Diya E.P. , Unni Manjima , Rajimon K.J , Elangovan N. , Murthy K. R. Shadakshara , Thomas Renjith 
Published: March 2024

AbstractThe compound (E)‐1‐(4‐chlorophenyl)‐N‐(nitrophenyl)methanimine was synthesised and characterised using techniques FTIR, UV‐Vis, NMR and it was compared with the experimental and simulated methods. The compound prepared was optimized using the DFT method employing the basis set B3LYP / cc‐pVDZ. The simulated spectra appeared to be in accordance with the experimental one. The HOMO‐LUMO orbitals and MEP are calculated with the same basis set; the study is chiefly forcasted to the biological activity of the synthesized compound. The wave function regards like localized orbital locator, electron localized function, average localized ionization energy and non‐covalent interaction are also examined as a means of theoretical evidence of the titled compound. The NBO calculations probe the intermolecular and intramolecular movement of charges, and additionally the molecule's stability. The ADMET properties are also considered for the compound with the assistance of Swiss ADMET online tool. The molecular docking analysis was accomplished against the protein (3RW9) of Spermidine dehydrogenase inhibitor employing the software Auto‐dock.
Solvent casting‐particulate leaching synthesis of a nano‐SiO2/chitosan composite scaffold for potential use in bone tissue engineering
Authors: Nga Nguyen Kim , Huyen Tran Thi Thu , Dung Ta Ngoc 
Published: March 2024

AbstractIn this work, a three‐dimensional (3D) scaffold comprised of chitosan and SiO2 nanoparticles (NPs) (CS/SiO2) was synthesized for bone tissue engineering. The scaffold was synthesized using a combination of solvent casting and salt leaching methods. The nanoparticle sizes were controlled by hydrothermal treatment with the aid of cetyltrimethylammonium bromide (CTAB), which was then used as a bio‐inorganic component of the composite scaffold. Various methods, such as SEM, FTIR, XRD, and liquid substitution, were conducted to determine the morphology, structure, pore sizes, and porosity of the synthesized scaffolds and the interaction between the SiO2 and CS phases. The mechanical properties of the composite scaffolds were evaluated by testing their tensile strength. The results showed that the synthesized 3D CS/SiO2 scaffolds exhibited porous structures with suitable average pore sizes ranging from 198 to 269 μm and porosities from 70.99 to 73.23%, respectively. The tensile strengths of the CS/SiO2 scaffolds were around 1.57‐1.83 MPa, matching well with those of cancellous bone. These appropriate values in terms of pore size, porosity, and tensile strength suggest that CS/SiO2 scaffolds could support cell migration, growth, and distribution. The synthesized CS/SiO2 scaffolds would be potential biomaterials for bone tissue engineering applications.
Nanocoating toward anti‐corrosion: A review
Authors: Nhiem Ly Tan , Oanh Doan Thi Yen , Hieu Nguyen Huu 
Published: March 2024

AbstractCoating is widely known as an effective conventional method in anti‐corrosion. In combination with nanomaterials, the coating has been controlled at nanoscale, which is coined as nanocoating and exhibits superior protection functionality. In this review, we extensively discuss different coating approaches that have utilized advanced materials such as nonconductive and/or conductive polymers, nanoparticles, and their nanocomposites. Finally, some suggestions and future perspectives regarding utilization of nanocoating in anti‐corrosion are also put forward.
Applications of ion exchange resins in environmental remediation
Authors: Barman Milan K , Bhattarai Ajaya , Saha Bidyut 
Published: March 2024

AbstractThe presence of various types of contaminants such as heavy metals, emerging organic contaminants, pesticides, organic waste, organic dyes, radionuclide's, fluorides, etc. cause water pollution. These pollutants are of concern to engineers, environmentalists and scientists. Due to the lack of freshwater, it is very important to recycle the wastewater after treatment to remove organic contaminates and heavy metal pollutants. Chemical precipitation, ion exchange, adsorption, filtration via membranes, flocculation, coagulation, flotation, and electrochemical techniques are just a few of the methods used to eliminate contaminants from wastewater. The most popular and effective among these is the ion exchange process. New generation hybrid materials, inorganic three‐dimensional matrices and synthetic organic resins are some examples of the different types of ion exchange resins. Most investigations have found that pseudo‐first and second order kinetic studies are important in the contaminant removal process. The isotherm model, which also incorporates the Langmuir, Freundlich, Dubinin Radushkevich, and Temkin equations, proved appropriate for most of the research. For an example, orgnic polymeric materials can maximum uptake capacity of 4.28 mmolg‐1Cr(VI) and 1.97 mmolg‐1As(V) respectively. The effectiveness of ion exchanger and its current trends in various environmental applications have been the main topics of this review article.
Simulated and experimental thermodynamic investigations for the selection of suitable hydrate formers for water treatment
Authors: Truong‐Lam Hai Son , Van Le Duy , Nguyen Thinh Phuc , Nguyen Mai Thanh Thi 
Published: March 2024

AbstractHydrate‐former selection is important for achieving high water recovery and impurity removal efficiencies in hydrate‐based water treatment. This study presents thermodynamic approaches for selecting a hydrate former suitable for water treatment. Here, carbon dioxide (CO2) and 1,1,1,2‐tetrafluoroethane (HFC‐134a) were investigated as hydrate formers. Simulated studies of the hydrate formation by four formers were conducted at different NaCl concentrations (0.00, 1.75, and 3.50 wt%) to predict the phase‐equilibrium conditions. A commercial software (CSMGem) was used for the calculation of the hydrate‐phase equilibrium of CO2. The Hu–Lee–Sum (HLS) correlation predicted the three‐phase equilibrium of CO2 and HFC‐134a. The results indicated that HFC‐134a is a good candidate for water treatment using gas hydrates. The phase equilibrium results calculated based on the HLS correlation and the CSMGem software confirmed the experimental results obtained using an isochoric method. The predicted thermodynamic properties provide essential information for the process design in water treatment applications.
Surface properties of nano‐TiO2 synthesized from two different TiO2 precursor sources by an alkaline hydrothermal process followed with a H2O2 treatment: Experiments combined with statistical analysis
Authors: Nguyen Thuy Thanh Doan , Le Nhung Cam Thi , Nguyen De , Huynh Vu Tan , Nguyen Linh Thuy Ba , Nguyen Phuong Tuyet 
Published: March 2024

AbstractOur research aimed to improve the surface properties of TiO2 for application in dye‐sensitized solar cells (DSC) by an alkaline hydrothermal process combined with H2O2 treatment. The effect of the TiO2 sources on the product quality was evaluated further by statistical analysis of the experimental data. The two commercial TiO2 precursors from Supelco (Merck – Germany) and BA‐100 (China) were used to produce nano TiO2 by the hydrothermal process in NaOH solution with two different concentrations of 5 M and 8 M at 150oC. The final products were characterized by XRD, FT‐IR, FE‐SEM, and chemical bonds on the TiO2 surface were particularly identified by XPS. The XPS data were then analyzed statistically by the K‐Means Clustering algorithm based on R software. The results showed that NaOH concentrations were directly involved with the formation of Ti─O; Ti─OH bonds and TiO2 morphology. The H2O2 treatment showed similar effects on TiO2 surface bonding but with less significant impacts than those of NaOH. In particular, the TiO2 reactant sources did not influence the structures, morphologies, and especially the surface properties of the products. Hence, a low‐cost TiO2 reactant should be selected in terms of economically effective products. The final TiO2 products were suitable for applications in DSC.
Structure and cytotoxic activity of a sulfated polysaccharide from green seaweed Caulerpa racemose collected on Nha Trang bay, Viet Nam
Authors: Thu Quach Thi Minh , Luong Dang Vu , Tam Nguyen Quang , Nu Nguyen Thi , Nhung Le Thi Hong , Thuy Thanh Thi Thu 
Published: March 2024

AbstractIn this work, a new sulfated polysaccharide was isolated from green seaweed Caulerpa racemosa harvested at Nha Trang sea. The structure of obtained polysaccharide was determined and its cytotoxic activity was evaluated. The results showed that structure of the polysaccharide has a main chain of (1→4)‐β‐D‐galactopyranose residues and branches are (1→3)‐α‐L‐glucopyranose‐2,4‐disulfate residues linked to the main chain at C‐6 position. The sulfated polysaccharide showed cytotoxic activity against three cancer cell lines Hela (cervical cancer) HT29 (human colorectal adenocarcinoma), and 8505c (human undifferentiated thyroid carcinomas) with IC50 values of 57.52±2.08, 51.16±1.33 and 45.68±1.78 μg/mL, respectively
Study on microstructure, mechanical and wear resistance properties of arc sprayed Al‐Mg alloy coating
Authors: Le Duc Thanh , Thi Ha Pham , Van Tuan Nguyen , Le Thu Quy , Thi Ly Pham , Nguyen Tuan Anh , Quoc Cuong Ly , Bich Thuy Dao 
Published: March 2024

AbstractIn this investigation, Al‐Mg alloy coating samples were deposited by the electric arc spray technique on SS400 steel substrate at various spraying parameters, namely, the spray current (150, 200 and 300 A), the air pressure (4, 4.5 and 5.5 bar) and the stand‐off distance (100, 162.8 and 200 mm). The structure morphology, phase composition, porosity, microhardness, adhesion and wear resistance of the coating were studied. The obtained results showed that the coating at the spray current of 300 A, the air pressure of 5.5 bar and the stand‐off distance of 162.8 mm has the lowest porosity and highest microhardness. In addition, this coating also has better adhesion to the steel substrate and wear resistance than other coatings. Moreover, X–ray phase analysis showed that the following phases are created on the surface of the Al‐Mg coatings: Al, Al2MgO4 and Al3Mg2.
Analysis of silver nanoparticles by flame atomic absorption spectrometry
Authors: Phuc Le Duy , Thien Vo Hoang , Van Dong Nguyen 
Published: March 2024

AbstractIntending to rate the quality of manufactured silver nanoparticles (AgNPs) products in the context that most of the publications in this field have focused on the residual AgNPs at trace levels, the primary goal of this report is to develop a fast and facile method for the speciation analysis of synthesized AgNPs – Ag(0) and Ag(I), using liquid‐liquid extraction (LLE) combined with flame atomic absorption spectroscopy (FAAS). Ag(I) in a pH 5 buffer solution was selectively extracted into an organic phase by dithizone, re‐extracted into an aqueous phase by HNO3, and then quantified by FAAS. In contrast, AgNPs in the initial aqueous phase were digested with HNO3 and H2O2 and determined by FAAS. The synthesized AgNPs samples were analyzed, with a silver content of 25 – 5000 mgL−1 and 50 ‐ 96% of AgNPs. The mass balance for silver confirmed that the speciation analysis of AgNPs agreed with the total analysis for silver in these samples. The average recovery of the spiked samples reached 98.9 ± 1.5% (P = 0.95). The method's precision was determined via the repeatability and reproducibility of 0.027 and 0.036 mgL−1 (P = 0.95). Both AgNPs and ionic silver were diluted to the same extent and quantified in atomized silver form, leading to a similar limit of detection (LOD) and quantification (LOQ) of 0.058 mgL−1 and 0.19 mgL−1 (P = 0.95), respectively. The proposed procedure was reliable and low‐cost that barely requires too advanced instruments to analyze AgNPs products at high concentration levels.
In‐situ synthesis of reduced graphene oxide templated MIL‐53(Fe) nanorods for photo‐catalytic degradation of organic dyes under sunlight
Authors: Jakhar Sonu , Singh Nirankar , Siwal Samarjeet Singh 
Published: March 2024

AbstractDue to outstanding chemical and physical characteristics, metal‐organic‐frameworks (MOFs) are frequently apprenticed for environmental clean‐up. Within this article, we present a thorough and straightforward hydrothermal method towards the production of reduced graphene oxide templated MIL‐53(Fe) hybrids RGO@MIL‐53(Fe). The structural characteristics of created hybrids were identified by using BET, FESEM, powder X‐ray diffraction, and FTIR techniques. Methylene blue (MB) dye (a model water pollutant) was used to evaluate H2O2‐assisted photo‐catalytic efficiency of RGO@MIL‐53(Fe). In contrast to pristine MIL‐53(Fe)‐H2O2, the RGO@MIL‐53(Fe)‐H2O2 system demonstrated improved photodegradation efficiency (>99%) for the elimination of MB over 60 minutes of solar irradiation. Furthermore, another dye rhodamine B (RhB) was almost 100% degraded in similar conditions within 80 minutes of sunlight. The RGO@MIL‐53(Fe) hetero‐structure, which promotes quick electron transport and reduces the rate at which photo‐induced charge carriers recombine, is credited as the main cause of the improvement in photo‐catalytic efficiency.
Managerial Culture and Labour Relations at Pinewood
Authors: Street Sarah 
Published: March 2024

AbstractThis chapter examines the role of management and labour during a pivotal period of the studios’ post-war development. Drawing on documentation by Frank L. Gilbert, an executive who worked for the Rank Organisation in 1944-47, the chapter considers how management strategies evolved and assesses their effectiveness. It also discusses the role of film industry trade unions, particularly the Association of Cine Technicians, in responding to economic constraints and pressures for cutbacks, while including several key, inter-related themes including the contribution of women to the studio workforce. It concludes that technicians who worked at Pinewood exercised degrees of creative agency in coming to terms with the constraints associated with budgetary control. The immediate post-war years were key in influencing Pinewood’s survival despite the fluctuations and uncertainties associated with different managerial regimes, and the impact of economic and material constraints.
Exact non-Abelian supertubes
Authors: Nemoto Ryo , Shigemori Masaki 
Published: March 2024

Abstract
Supertubes are supersymmetric configurations in string theory in which branes are extending along a closed curve. For a supertube of codimension two, its dipole charge is characterized by the duality monodromy around the closed curve. When multiple codimension-2 supertubes are present, the monodromies around different supertubes can be non-commuting, namely non-Abelian. Non-Abelian configurations of supertubes are expected to play an important role in non-perturbative physics of string theory, especially black holes. In this paper, in the framework of five-dimensional supergravity, we construct exact solutions describing codimension-2 supertubes in three-dimensional space. We use an extension formula to construct a three-dimensional solution from a two-dimensional seed solution. The two-dimensional seed is an F-theory like configuration in which a torus is nontrivially fibered over a complex plane. In the first example, there is a stack of circular supertubes around which there is a non-trivial monodromy. In some cases this can be thought of as a microstate of a black hole in AdS2 × S2. The second example is an axi-symmetric solution with two stacks of circular supertubes with non-Abelian monodromies. In addition, there is a continuous distribution of charges on the symmetry axis.
Der virtuelle Supermarkt als innovative Forschungsinfrastruktur: Experiment zur Erhöhung der Salienz für Fleischprodukte mit höherem Haltungsstandard
Authors: Bach Leonie , Weingarten Nina , Meyer Kathrin Barbara , Yeh Ching-Hua , Dolgopolova Irina , Wang Wen-Xiu , Roosen Jutta , Hartmann Monika 
Published: March 2024

ZusammenfassungIm Jahr 2019 wurde in Deutschland eine einheitliche, freiwillige Kennzeichnung von Haltungsbedingungen für tierische Produkte eingeführt, um diesbezüglich mehr Transparenz zu schaffen. Allerdings werden diese Labels auf Verpackungen oft übersehen. In diesem Zusammenhang untersuchte die vorliegende experimentelle Studie in einem virtuellen Supermarkt, ob eine stärkere Betonung der Haltungsform-Kennzeichnung zu einem Anstieg des Verkaufs von Fleischprodukten mit höheren Tierhaltungsstandards führt. Es wurden verschiedene Interventionen zur Steigerung der Aufmerksamkeit getestet. Die Teilnehmenden wurden zufällig einer von drei Gruppen zugeteilt, die sich in der Gestaltung des virtuellen Supermarkts wie folgt unterschieden: (Gruppe 1) Die Platzierung zusätzlicher Banner über den Regalen mit Hinweisen zur Haltungsform-Kennzeichnung; (Gruppe 2) Die Platzierung der Banner wie in Gruppe 1 plus zusätzliche Anbringung der Haltungsform-Labels neben dem Preisschild; (Gruppe 3) Keine speziellen Maßnahmen. Der eigens dafür entwickelte virtuelle Supermarkt ermöglicht eine realitätsnahe Forschungsinfrastruktur zur Datenerhebung, um die Wirksamkeit der Maßnahmen zu testen, ohne diese direkt in den laufenden Betrieb eines realen Supermarktes integrieren zu müssen. Die Teilnehmenden zeigten eine sehr hohe Akzeptanz für beide Interventionen, jedoch führten sie nur zu einem leichten, aber nicht signifikanten Anstieg des Kaufs von Fleischprodukten mit höheren Haltungsstandards. Die meisten Teilnehmenden fanden den virtuellen Supermarkt äußerst realistisch und benutzerfreundlich. Zukünftige Studien können auf diesen Ergebnissen aufbauen und die Benutzerfreundlichkeit der virtuellen Supermarkt-Infrastruktur weiter verbessern sowie die Art der durchgeführten Interventionen in virtuellen Supermärkten weiterentwickeln.
Three-Dimensional Simulations of Subaerial Landslide-Generated Waves: Comparing OpenFOAM and FLOW-3D HYDRO Models
Authors: Sabeti Ramtin , Heidarzadeh Mohammad , Romano Alessandro , Barajas Ojeda Gabriel , Lara Javier L. 
Published: March 2024

AbstractThe recent destructive landslide tsunamis, such as the 2018 Anak Krakatau event, were fresh reminders for developing validated three-dimensional numerical tools to accurately model landslide tsunamis and to predict their hazards. In this study, we perform Three-dimensional physical modelling of waves generated by subaerial solid-block landslides, and use the data to validate two numerical models: the commercial software FLOW-3D HYDRO and the open-source OpenFOAM package. These models are key representatives of the primary types of modelling tools—commercial and open-source—utilized by scientists and engineers in the field. This research is among a few studies on 3D physical and numerical models for landslide-generated waves, and it is the first time that the aforementioned two models are systematically compared. We show that the two models accurately reproduce the physical experiments and give similar performances in modelling landslide-generated waves. However, they apply different approaches, mechanisms and calibrations to deliver the tasks. It is found that the results of the two models are deviated by approximately 10% from one another. This guide helps engineers and scientists implement, calibrate, and validate these models for landslide-generated waves. The validity of this research is confined to solid-block subaerial landslides and their impact in the near-field zone.
Identification of two mutant JASON-RELATED genes associated with unreduced pollen production in potato
Authors: Clot Corentin R. , Vexler Lea , de La O Leyva-Perez Maria , Bourke Peter M. , Engelen Christel J. M. , Hutten Ronald C. B. , van de Belt José , Wijnker Erik , Milbourne Dan , Visser Richard G. F. , Juranić Martina , van Eck Herman J. 
Published: March 2024

Abstract
Key message
Multiple QTLs control unreduced pollen production in potato. Two major-effect QTLs co-locate with mutant alleles of genes with homology to AtJAS, a known regulator of meiotic spindle orientation.

Abstract
In diploid potato the production of unreduced gametes with a diploid (2n) rather than a haploid (n) number of chromosomes has been widely reported. Besides their evolutionary important role in sexual polyploidisation, unreduced gametes also have a practical value for potato breeding as a bridge between diploid and tetraploid germplasm. Although early articles argued for a monogenic recessive inheritance, the genetic basis of unreduced pollen production in potato has remained elusive. Here, three diploid full-sib populations were genotyped with an amplicon sequencing approach and phenotyped for unreduced pollen production across two growing seasons. We identified two minor-effect and three major-effect QTLs regulating this trait. The two QTLs with the largest effect displayed a recessive inheritance and an additive interaction. Both QTLs co-localised with genes encoding for putative AtJAS homologs, a key regulator of meiosis II spindle orientation in Arabidopsis thaliana. The function of these candidate genes is consistent with the cytological phenotype of mis-oriented metaphase II plates observed in the parental clones. The alleles associated with elevated levels of unreduced pollen showed deleterious mutation events: an exonic transposon insert causing a premature stop, and an amino acid change within a highly conserved domain. Taken together, our findings shed light on the natural variation underlying unreduced pollen production in potato and will facilitate interploidy breeding by enabling marker-assisted selection for this trait.