bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigation of the FrH+ Alkali Hydride Cation: Analysis of Potential Energies, Dipole Functions, and Radiative Lifetimes
Authors: Ghanmi Chedli , Berriche Hamid
Published: December 2024

This paper presents an extensive ab-initio investigation of the structural and spectroscopic properties of the FrH+ alkali hydride cation, utilizing non-empirical pseudo-potentials for Fr+ core. We determine the potential energy curves for 19 electronic states with symmetries of 2+, 2, and 2, which exhibit dissociation up to Fr (8p) + H+ and Fr+ + H (3d). We identify and interpret avoided crossings between higher 2+ and 2 states. Additionally, we calculate the spectroscopic parameters, transition dipole functions, and vibrational energies associated with 1-32+ states. Using accurate potential energies of X2+ and 22+ states, along with transition dipole functions between these states, we evaluate the radiative lifetimes for the vibrational states confined within the 22+ state. As far as we are aware, no experimental or theoretical data concerning this system have been published to date. Therefore, we discuss and compare our findings with those of analogous systems. Consequently, this study presents the first theoretical results for the alkali hydride cation FrH+.
Discovery of new small molecules inhibitors for EphB4 receptor tyrosine kinase with a fragment-based drug design approach
Authors: Ballari Amine , Haloui Rachid , Daouı Ossama , Mkhayar Khaoula , Allah Khadija Khaddam , Chtita Samir , Abbouchi Abdelmoula El , Elkhattabi Souad
Published: December 2024

Erythropoietin-producing hepatocellular carcinoma B4 (EphB4) belongs to the Eph family of receptor tyrosine kinases (RTKs) and plays a significant role in the amplification of many kinds of cancers such as lung cancer, head and neck cancer, and mesothelioma. In this work, we applied a fragment-based drug design strategy to find novel Ephb4 receptor inhibitors as potential therapeutic candidates. A screening of over 269,000 fragments from various libraries has been conducted to determine their affinity for binding EphB4. Using Schrödinger software, 1,000 fragments with the highest docking scores underwent fragment linking to generate 100 new molecules. The EphB4 binding affinity and ADMET characteristics of the top 20 docking score molecules were then examined in more detail. After the best compounds were selected, a molecular dynamics study was conducted to determine the stability of the ligand-receptor complex in the top three molecules. The resultant compound may be investigated further in the context of tyrosine kinase inhibitor drug development.
CORRELATION ANALYSIS OF STRUCTURE & REACTIVITY IN THE OXIDATION OF AROMATIC ALDEHYDES BY 2-PICOLINIUM CHLOROCHROMATE
Authors: Kumawat Ketul , Choudhary Anurag , Prakash Om
Published: December 2024

The reaction of 2-picolinium chlorochromate (PICC) with thirty-six monosubstituted benzaldehydes in dimethylsulphoxide (DMSO) results in the production of the corresponding benzoic acids by oxidation. An enzymatic reaction exhibiting Michaelis-Menten kinetics was observed in relation to the reactants. The process is facilitated by hydrogen ions; the hydrogen ion dependency is expressed as kobs= a + b [H+]. The oxidation of deuterated benzaldehyde (PhCDO) showed a significant main kinetic isotope impact. The reaction was examined in nineteen distinct organic solvents, and the influence of the solvent was analyzed using Taft's and Swain's multi-parametric equations. The oxidation rates of benzaldehydes with para and meta substitutions exhibited a strong association using Charton's tri-parametric LDR equation. On the other hand, the oxidation of benzaldehydes with ortho substitutions showed a good correlation using the tetra-parametric LDRS equation. The oxidation of benzaldehydes with para-substituents is more influenced by the delocalized effect compared to the oxidation of compounds with ortho- and meta-substituents, which show a stronger reliance on the field effect. The occurrence of a positive value of  indicates the existence of an electron-deficient reaction center in the rate-determining step (r.d.s.). The reaction experiences steric acceleration due to the ortho-substituents. An appropriate mechanism has been suggested.
DFT Studies of Suitability of Nanocomposite (ZnO/TiO2@polythiophene) in Photocatalyst Application
Authors: Ogunleye Damilola , Adeleke Richard , Hatim Garuba Muhammad , Salaudeen Abdullateef
Published: December 2024

ZnO & TiO2 nanocomposites have experienced a rapid development and advancement due to the variety of potential applications. Their properties have been exploited in the development of solar energy storage, photocatalysts, as well as medicinal bio-mediated processes. This research based on density functional theory DFT studies of suitability of ZnO and TiO2@polythiophene oligomer for the development of an efficient photocatalysts. An important photocatalytic parameters such as geometry optimization & bonding energy interaction, optical & electronic structure properties and charge transfer mechanism are calculated at B3LYP functional and 6-31G (d,p) basis set. The calculated results showed that the bonding energy interaction of ZnO & TiO2 with 3PT oligomers have a strong bonding interaction which are electrostatic and hydrogen bonding and the interaction energy ∆Eint for ZnO@3PT is (−389.058 kcal/mol) while the TiO2@3PT bonding interaction energy ∆Eint is (−395.331 kcal/mol) with TiO2@3PT value higher than the ZnO@3PT. The electron – charge transfer mechanism are calculated with natural bonding orbital NBO analysis where ZnO & TiO2 act as electron acceptor and 3PT oligomer act as electron donor in the study composites. Also, the optical and electronic properties calculation revealed the excellent absorption properties of ZnO@3PT and TiO2@3PT in the visible region over 3PT oligomer due to red-shifting from the ultraviolet to visible to IR ray and this shows an evidences of excellent photocatalytic properties of the two study composites over 3PT oligomer.
In silico screening, molecular dynamic simulation, and pharmacokinetic studies of new Schiff base derivatives from 2-(3-benzoylphenyl) propionic acid as tyrosyl-tRNA synthetase inhibitor
Authors: Hanna Jessica , Mohammed Mazen , Alawad Kanar M.
Published: December 2024

Bacterial resistance is a major problem in hospitals and the community. Thus, much antibacterial research has focused on discovering new chemical agents and bacterial targets. Computational and structure-based design methods are used for the improvement of drug discovery. This work developed new Schiff base compounds from 2-(3-benzoylphenyl) propionic acid. The unique compounds were categorized as S and S(1-6). They were examined in silico for antibacterial activity on the tyrosyl-tRNA synthetase enzyme. Dynamic simulation and pharmacokinetic studies were also studied theoretically. In silico, experiments, including SwissADME studies, are utilized to predict the pharmacokinetics of newly designed compounds. While the docking studies done using GOLD Suite (v. 2021.3.0) software showed the binding of compounds with the enzyme tyrosyl-tRNA synthetase, finally, dynamic simulation studies of compound [S2] using the Desmond modules of the Schrodinger 2023 software. Since all compounds meet Lipinski's rule requirements, the new agents are expected to be given orally. Docking experiments showed that compound [S2] bound to tyrosyl-tRNA synthetase had the greatest PLP fitness value (89.02) compared to the reference ligand (79.71). Simulations of the compound [S2] with the enzyme pocket revealed stable variations with RMSD values below 3Å during the simulation period. Based on docking, compound [S2] is deemed a promising agent as a tyrosyl-tRNA synthetase inhibitor, with stable variations during dynamic simulation and RMSD and RMSF values within the normal range.
Computational Study of Potential MAO-B Inhibitors Based on 4-(3-Nitrophenyl) Thiazol-2-ylhydrazone.
Authors: El Alaouy Moulay Ahfid , Alaqarbeh Marwa , Ouabane Mohamed , Sbai Abdelouahid , Lakhlıfı Tahar , Bouachrıne Mohammed
Published: December 2024

This study used a dataset comprising thirty-four derivatives of 4-(3-nitrophenyl) thiazol-2-ylhydrazone as selective monoamine oxidase B (h-MAO-B) inhibitors to design more effective h-MAO-B inhibitors. This was achieved by applying molecular modeling methods. Among the different field models examined, the CoMSIA/SEA model emerged as the most effective, compared to the other models (Q^2 = 0.60; R2 = 0.97; R^2test = 0.711; F = 151.84; SEE = 0.21; ONC = 4). Contour maps helped identify structural features important for inhibitory activity, leading to the design of four highly active inhibitors. The study explored the interaction between the new compounds (M1, M2, M3, and M4) and the most active molecule, No.3, using molecular docking simulations. This process revealed a positive interaction characterized by the formation of significant bonds with key protein residues such as Arg:42, Glu:58, Met:436, Tyr:398, Tyr:435, and Tyr:60. The ADMET properties of the predicted molecules (M1-M4) were generally favorable, except for molecule No.3, which retained its toxicity. Both M1 and the most active compound 3 underwent 100 ns molecular dynamics simulations, The results of these simulations indicate that the proposed molecule, M1, exhibits a slightly higher structural stability compared to the most active compound, 3. This positions M1 as a promising candidate for further studies. A retrosynthesis strategy was employed to efficiently plan the synthesis of molecule M1 as a potential MAO-B inhibitor, identifying the key steps and precursors required for its realization.
Determining binding free energy by computational modelling: A theoretical approach for selection of stationary phase in chromatographic studies
Authors: Yendurı Suvarna , K M Shifa , Koppuravuri Naga Prashant
Published: December 2024

HPLC is one of the most widely used analytical method for determination of pharmaceuticals in pharmaceutical industry. Because of wide range availability of columns, it is difficult to choose the column while optimization and it consume lot of time. To reduce the time and solvent consumption for optimizing the column in HPLC method the best alternative is computational approach. Computational chemistry is a subfield of chemistry that employs computer modelling as a means of assisting in the resolution of difficult chemical issues. The computation of molecular structures, interactions, and properties is accomplished by the utilization of theoretical chemistry techniques that are integrated into efficient computer programs. In the current investigation, the objective was to implement a computational strategy with the purpose of optimizing the chromatographic column for the detection of certain pharmaceuticals. For the purpose of this experiment, the Avogadro with orca software was utilized to calculate the Gibbs free energy between the stationary phase and the pharmaceutical of choice for different columns, including C8 and C18. Relative binding free energies between the analyte and column were calculated and applied for selection of column. The tool was utilized for the purpose of optimizing the column in order to minimize the amount of solvent that was utilized and time to lessen the complexity of the procedure. This strategy also contributes to sustainable development goals by minimizing solvent usage for environmental friendliness.
Unlocking the therapeutic potential of nolatrexed in glioblastoma multiforme through quantum mechanics, network pharmacology, molecular docking and ADMET analysis.
Authors: K Aswin , Morais Shabna Roupal
Published: December 2024

Introduction: Glioblastoma multiforme (GBM) is a highly aggressive brain tumor that remains challenging to treat due to its resistance to conventional therapies. Despite advances in cancer research, GBM patients face low survival rates often surviving only a few months to a year after diagnosis. Nolatrexed shows notable pharmacological effects and promising therapeutic potential. We explore its interactions, pharmacokinetics and toxicity using computational tools
Methods: In-silico investigations were conducted to analyse nolatrexed interactions with GBM targets using network pharmacology which identifies potential targets. The target nolatrexed was optimised and geometry was calculated for the Frontier molecular orbitals (FMO) and visualised using the 6-311(+)G(d)(p) basis set in Gauss View 16. Autodock tools 1.5.7 used for molecular docking, and the results were subsequently validated using Discovery Studio 4.5. ADMET analysed through ADMETlab 2.0, druglito and toxicity estimation software tool (T.E.S.T) .
Result: In this study, FMO calculation was performed using Gaussian software were HOMO and LUMO ranges from 2.7059 to 7.9185 eV and shows higher energy gap signifies greater stability and lower reactivity The potential molecular targets of nolatrexed were first identifed using the Swiss Target Prediction platform and pathogenic targets of GBM were identifed using the Genecard, DisGeNET, and CTD database. Followed by compound and disease target overlapping, 69 targets were placed in that JUN, HSP90AA1, STAT3, MTOR, HSP90B1, IGF1R, GSK3B, JAK2, MAP2K1, and SIRT1 were the top-ranked target, which was estimated by CytoHubba plug-in. The molecular docking was performed for nolatrexed towards top 3 genes include mTORC1, mTORC2 and MAP2K1 from the PDB:7YRJ, 7TZO, 5HZE target. The binding score of nolatrexed were – 8.04 kcal/mol and – 7.2 kcal/ mol and -7.69 kcal/ mol respectively.
Conclusion: Nolatrexed plays significant role in treatment of brain tumour, which helps to reduce GBM severity. Our findings suggest that nolatrexed hold promise as a potential therapy for GBM.
DESIGN AND DISCOVERY OF LOPHINE DERIVATIVES AS MULTI-TARGETING AGENTS BY MOLECULAR DOCKING, ADMET, MD SIMULATION AND PHARMACOPHORE ANALYSIS: A COMPUTATIONAL APPROACH
Authors: Sasmal Pujan , Biswas Shyamal Kumar , Koley Akash , Jana Rimpa , Biswas Jagrity
Published: December 2024

Background
Lophine is one of the new core moiety with substitution of three phenyl rings at 2nd, 4th, and 5th position of the imidazole. Lophine is not explored in development of drug molecules. In this research, we have designed 30 lophine derivatives with different substituted functional groups. The designed compounds were evaluated through different In-silico tools and softwares to check their properties for different biological receptors.
Methods
Molecular docking study was carried out on different receptors i.e. EGFR for anti-cancer, COX-1, and COX-2 for anti-inflammatory, fungal oxidoreductase for anti-fungal, bacterial DNA gyrase for anti-bacterial and TNF-α, which co-relates different type of inflammatory diseases. Further, ADMET of the top docked compounds were carried out in SwissADME and ProTox-II webserver. The MD simulation was carried out to check the stability of the compounds inside the binding pocket of the different proteins. Finally, the common pharmacophore was generated by PharmaGist web server.
Results
The molecular docking results revealed that the SAP-28 has significant binding energies -9.8, -9.6 and -10.0 kcal/mol against EGFR, fungal oxidoreductase, and TNF-α receptors respectively. SAP-26 has potent interaction -9.8 and -11.0 kcal/mol against EGFR and COX-2 receptors respectively. Whereas, SAP-25 and SAP-19 showed the best interaction for bacterial DNA gyrase (-8.9 kcal/mol) and COX-1 receptor (-9.7 kcal/mol) respectively. To enhance the acceptability top docked compounds, the ADME parameters along with toxicity analysis were carried out where all the compounds showed acceptable results. Furthermore, the stability of the protein-ligand complexes were determined by a 100 ns MD simulation analysis and compounds were found stable. The common pharmacophore was generated with the help of the top compounds in the PharmaGist web server.
Discussion
This In-silico study established that, various substitution on the phenyl ring present in the 2nd position of the imidazole such as 2-hydroxy, 2-methyl, 3-methyl, 4-pyridinyl etc. governing their ability to interact with diverse targets. The compound can contribute a major role in the development of different leads in future.
CRISPR-Cas Single-Guide RNA Construction for Tail Fiber Gene Gp0047 of Salmonella Phage SSE-121
Authors: Narulita Erlia , Oktarina Annisyah Nurmitha , Opulencia Rina B. , Widianto Agung Haris , Febrianti Riska Ayu , Addy Hardian Susilo
Published: December 2024

In this study, we conducted an in-silico study of single guide RNA (sgRNA) construction as the initial stage of CRISPR-Cas9-based genome editing on Salmonella bacteriophage SSE-121 to broaden its host range. The results of the study discovered 188 sgRNA candidates using CHOPCHOP prediction. All selected candidates were docked using free website-based docking tools HNADOCK, therefore the top seven candidates of sgRNAs were docked using HDOCK with the Cas9 protein. The molecular dynamics simulation of the most optimum sgRNA-Cas9 protein (docking score -387.43) and sgRNA-Cas9-DNA (docking score -431.58) were calculated using AMBER14 forcefield in YASARA Dynamics. Based on the in-silico evaluation, the gRNA6 was obtained as the optimum single guide RNA. The docking score with DNA targets was -592.23 and Cas9 protein was -387.43. The comparison between the Cas9 and Cas9-sgRNA complex showed that the binding effect of sgRNA could maintain better conformational stability than in the single form.
How Does Exploration of New Adventure Tourism Destinations in Bali?
Authors: Raditya Pande Putu , Ripana Dola Destiya , Saputra Upayana Wiguna Eka , Junjanto Yovita Helena
Published: December 2024

Bali is one of the most prestigious tourism destinations in Indonesia that has begun to over tourism. On the other hand, nature landscape in Bali provides for adventure tourism which is underexplored. The novelty from this study is reveal how adventure tourism in Bali held, and factors that influence on adventure tourism. Data collected from focus group discussion with organization who have interest in mountain forest, rock climbing, and rafting in Bali. The research result describes how adventure tourism held consist bay three stages: pre exploration, exploration, and post-exploration. And what are the supported and unsupported factors to successfully that adventure tourism in Bali categorized in three main factors: external factor, internal factor, relationship factor. This research has implications for tourism public policy in Bali and tourist attraction managers.
Marine Tourism Development in Mattiro Matae Village Liukang Tupabbiring District Pangkajene and Islands Regency: Defining Minawisata Concept
Authors: Annisa St. Nur , Ulil Albab Nurul Istiqamah , Usman Khairul Sani
Published: December 2024

Minawisata is an economic development that integrates the marine, fisheries, and tourism sectors. Mattiro Matae Village, as a marine conservation area, has great potential to become a center for conservation-based marine tourism. This study aims to assess land suitability and formulate a strategy for developing minawisata in the village. Using quantitative descriptive methods, data were collected through observation, interviews, and documentation. Data analysis was carried out using land suitability analysis and SWOT. The results of the study showed that Mattiro Matae Village has a tourism suitability index of 100% for the fisheries sector, indicating enormous potential. However, the development of minawisata in this village still faces challenges, such as suboptimal local government management and low public understanding of the importance of conservation. Based on the SWOT analysis, the strategies for developing minawisata in Mattiro Matae Village include leveraging natural beauty and biodiversity, improving accessibility and public facilities, implementing environmental monitoring systems, and providing training and education to enhance community involvement and awareness of conservation
Bavachin Suppresses Cell Growth and Enhances Temozolomide Efficacy in U-87 MG Glioblastoma Cells
Authors: Ashing Liz , Nelson Ashley , Ngove Zefanias , Crain Aundrea
Published: December 2024

Glioblastoma multiform (GBM) is a lethal cancer affecting the central nervous system. Existing treatment methods for GBM include chemotherapy, radiation, and surgery. Temozolomide is a common chemotherapy treatment for GBM but causes unwanted side effects, as do most chemotherapy treatments. To decrease the harmful side effects of chemotherapy, research has turned to exploring natural compounds to treat cancer. In this study, the natural compound bavachin was investigated to determine cytotoxicity in GBM cells. Bavachin has been tested in many cell lines but not glioblastoma. A sulforhodamine B (SRB) assay, trypan blue counting, and a tumorsphere assay were used to test the hypothesis in this study. It was found that bavachin suppressed glioblastoma cell and tumorsphere viability, had a synergistic interaction with temozolomide, and ornithine decarboxylase was identified as a potential target in silico. This study demonstrated the ability of bavachin to suppress the growth of U-87 MG glioblastoma cells and enhance temozolomide efficacy. These findings demonstrated that bavachin is a potential treatment for GBM based on its ability to suppress cell growth. KEYWORDS: Glioblastoma Multiforme; Temozolomide; Bavachin; Flavonoid; Tumorspheres; Cell Viability; Cancer; Apoptosis; Psoralea corylifolia
METHODS ANALYSIS FOR DETERMINING THE EFFECT OF STATIC AND DYNAMIC LOADS ON ROAD PAVEMENT
Authors:   National Transport University, Kharchenko Anna , Chechuha Oleksand ,   National Transport University, Alimov Akim ,   National Transport University
Published: December 2024

Summary. The methods based on the determination of total or elastic deformations in the evaluation
of the deformation characteristics of road structures have been studied. It was determined that all methods
mainly differ among themselves in the way of testing and equipment; a methodical approach to processing the
received data. In particular, static methods are divided into stamping and methods of determining the static
load of a car wheel. It is noted that methods based on determining the dynamic load on road pavement, which
are divided into shock and vibration, are becoming more and more popular recently. The generalized sequence
of performing tests using dynamic load methods is presented, which includes: determining the measurement
route, moving the equipment and setting it to the i-th measurement point; preparation of the equipment for
measurement: installation in the working position of extinctions; execution of tests; collection and processing
of measurement results. It was determined that for effective suction of these methods, it is necessary to have
historical data and spatial distribution of loads; information on the composition of the traffic flow, speed
regimes on the site; geometric parameters and characteristics of the technical condition of the site;
characteristics of the chosen method for measuring loads on road pavement; dynamic reactions of individual
components of the road structure are determined. It is noted that the accuracy of the results of dynamic load
measurements can be affected by the type of vehicle suspension, vehicle type, amount of load on the vehicle,
vehicle speed, technical condition of the road surface, in particular, the unevenness of the surface and other
factors. Reconciliation of the results of testing road pavement by methods of determining the action of static
and dynamic load requires the use of special coefficients. Based on the results of the review of the methods, it
is proposed to further investigate the factors affecting the accuracy and reliability of the data obtained by them.
Keywords: static load, dynamic load, road pavement, methods, strength
RESEARCH AND ANALYSIS OF ENGINEERING ANTI-SUBSIDENCE MEASURES APPLIED IN ROAD CONSTRUCTION ON LOESS SOILS
Authors:   National Transport University, Yurchuk Vitaly , Petrovych Volodymyr ,   National Transport University, Petrovych Ihor ,   National Transport University, Chechuha Yevhen ,   National Transport University
Published: December 2024

Abstract. The widespread distribution of loess collapsible and structurally unstable soils when
saturated in our country, along with insufficient regulatory documentation for the design and construction of
highways on these soils, necessitates scientific research in this field.
In this context, we are conducting studies to investigate the stress-strain state of loess embankment
bases, the changes in this state upon moisture exposure, and the nature of stability loss of the roadbed during
the subsidence of its base.
This paper presents the analysis results of the stress-strain state of embankment bases, the subsidence
patterns in loess bases of high embankments, and the nature of roadbed destruction in high embankments.
Some engineering anti-subsidence measures for use in road construction on loess collapsible soils are also
provided.
Key words: stress-deformation of forest foundations in bulk, ruining of the subgrade, engineering
anti-subsidence approaches, silt-clay soils, forest soils drained by boreholes, soil fires, subsidence of forest
authorities Ground.
Spatiotemporal analysis of meteorological drivers of major foliar fungal diseases in rubber budwood gardens in Cote D'Ivoire
Authors: Konan Kan Ulrich Urbain , Yao Alban Prosper , Tienebo Eric-Olivier , Yao Akissi Sandrine , Obouayeb Samuel , Abo Kouabenan
Published: December 2024

Latex production in Côte d'Ivoire is significantly influenced by meteorological conditions and various diseases, particularly foliar fungal diseases affecting Hevea brasiliensis, which can cause yield losses of up to 100%. This study aims to identify the climatic factors driving the severity of these diseases across different ecological zones. Surveys were conducted in budwood gardens (JBG) across six agroecological zones, with meteorological data collected on-site. The analysis identified Helminthosporium heveae, Colletotrichum gloeosporioides, and Corynespora cassiicola as the most prevalent fungi, exhibiting high incidence and severity in key production areas such as Tabou and Nouamou. Multiple regression analyses revealed that rainfall and relative humidity (correlation coefficients ranging from 0.4 to 0.55, p 0.0001) and leaf wetness duration (correlation coefficient 0.7, p 0.0001) are critical predictors of disease severity. Specifically, each additional unit of leaf wetness increased infection severity by 0.642 for H. heveae, 0.435 for C. gloeosporioides, and 0.832 for C. cassiicola. These findings underscore the importance of meteorological factors in disease development and could support the establishment of early warning systems to manage foliar fungal diseases of H. brasiliensis in Côte d'Ivoire.
Phylogenetic analysis of Salmonella enterica isolated from imported and local potato seed tubers
Authors: Zehra Rawish , Hasan Khwaja Ali , Nahar Sharf Un , Naz Shahida , Saleem Sadia , Naqvi Fizza , Mumtaz Nusrat , Faisal Muhammad , Hassan Naqvi Syed Faizan Ul
Published: December 2024

Human pathogens on plants are an emerging global health concern. Salmonella enterica exhibits a broad range of host associations, including plants, animals, and humans. Therefore, the rapid characterization of Salmonella on potatoes is essential for ensuring food safety, protecting crops, and preventing transmission to humans. The present study investigates the phylogenetic relationships of potato-borne S. enterica with clinical lineages. Among sixty-seven S. enterica isolates collected from local and imported potato seed varieties, 63 (94.02%) were confirmed to carry the invA gene, a specific marker for Salmonella. Random Amplified Polymorphic DNA (RAPD) analysis grouped these isolates into three distinct clusters, with Salmonella strains 7S-Moz-L and 1S-Kar-I showing genetic similarity to the clinical strain S. typhi 5S-CL2 (MZ708960). The invA protein is identified as a virulence factor relevant to human infections and may play a role in tuber colonization. Phylogenetic analysis of invA sequences revealed homology between Salmonella strain 9SF-Ast-L (MW319054), isolated from the Asterix potato variety, and the clinical strain S. typhi 5S-CL2. Moreover, Salmonella strain 1S-Kar-I [MW319050], isolated from the imported Karuda variety, showed an evolutionary relationship with Salmonella strains 7S-Moz-L (MW319052) and 8S-Qas-L (MW319053), both from local potato varieties. Overall, the study underscores the importance of identifying S. enterica in potato seeds prior to planting or transport to prevent the spread of quarantine pathogens and ensure public health safety.
Sustainable pest management strategies for agriculture in Pakistan: a review
Authors: Noman Hamza , Saif Sadaf , Shoukat Shaharyar
Published: December 2024

The agriculture sector of Pakistan’s economy faces significant challenges, including water scarcity, land degradation, climate change, and pest infestations, all of which threaten crop production and rural livelihoods. Historically, pest management has heavily relied on chemical pesticides, such as organophosphates and pyrethroids. While these provide short-term solutions, their extensive use has led to environmental degradation, health risks, and the development of resistance in cotton and vegetable crops. In response, integrated pest management (IPM) has emerged as an ecological approach that combines biological, cultural, mechanical, and selective chemical controls to regulate pest populations while minimizing environmental damage. This study reviews pest control practices in Pakistan, with a particular focus on the National IPM Programme and Farmer Field Schools. Successful programs under these initiatives have reduced pesticide use by 87% and increased crop yields by 10-25%. Case studies highlight the effectiveness of biological controls, such as Trichogramma wasps and Beauveria bassiana fungi, which have resulted in reduced pesticide use and yield improvements of up to 18%. However, challenges persist, including farmer education, a lack of facilities for maintaining biological control agents, and climate-induced shifts in pest populations. The study also emphasizes the potential of precision agriculture technologies, such as drones, remote sensing, and AI-driven monitoring systems, for pest surveillance and targeted interventions. Policy recommendations include providing institutional support, enhancing farmer capacity, investing in biopesticides and genetically modified organisms, and fostering collaboration among government agencies, research organizations, and farmers to ensure the long-term sustainability and resilience of agriculture in Pakistan.
Effect of salicylic acid application on growth, production, fungal decay, and overall quality of strawberry
Authors: Zia ul Hasan Syed , Hassan Imran , Khan Muhammad Azam , Jilani Ghulam
Published: December 2024

Salicylic acid (SA), a plant growth regulator, induces various physiological and metabolic processes that affect plant growth and development. A study conducted at PMAS-Arid Agriculture University in 2017-2018 and 2018-2019 examined the preharvest application of SA on the growth and fruit quality of strawberry (cv. Chandler). A 4 mM concentration of SA was found to be the most effective, improving plant height (14.60 cm), average number of leaves per plant (5.27), leaf area (68.40 cm²), and average fruit weight (13.53 g). In terms of postharvest parameters, SA-treated strawberries showed higher total soluble solids (5.10 °Brix), ascorbic acid content (12.41 mg/100 ml of juice), and total sugar content (6.54%). A similar trend was observed in the activity of antioxidant enzymes (SOD, POD, and CAT) as well as physiological parameters such as photosynthetic rate, transpiration rate, and stomatal conductance. The SA treatments helped maintain the overall quality of the strawberries and also reduced damage caused by fungal decay. The data revealed that the minimum mean fungal decay (4.28%) was recorded after 4 days of storage, while the maximum percentage of fungal decay (20.38%) was observed after 12 days of storage. Therefore, foliar application of SA at 4 mM is recommended as the most effective treatment for enhancing strawberry growth and fruit quality. The study explains how SA can be used to preserve the quality of strawberries before harvest. An additional goal of this research is to provide growers with detailed information about the influence of SA on strawberry crop growth and production.
The magnitude of Ascochyta blight of chickpea and its relationship with prevailing environmental conditions in the Thal region of Punjab, Pakistan
Authors: Saqib Hafiz Muhammad , Chohan Sobia , Abid Muhammad
Published: December 2024

This study assessed Ascochyta blight disease in chickpea across five districts in the ‘Thal’ region of Punjab, Pakistan: Bhakkar, Jhang, Layyah, Muzaffargarh, and Mianwali. The disease prevalence, incidence, and severity were recorded over two consecutive years, 2020-2021 and 2021-2022, during the chickpea-growing season. Disease prevalence ranged from 76% in Layyah to 40% in Muzaffargarh. Layyah also exhibited the highest disease incidence (84.2%) and severity (59.41%), while Muzaffargarh recorded the lowest disease incidence (20.55%) and severity (8.55%). All thirty-seven fungal isolates obtained from diseased samples were morphologically identified as Ascochyta rabiei. Twenty-five isolates, including five representatives from each district, were characterized based on their pathogenicity. The isolate ARL1 from Layyah exhibited the highest pathogenicity, with disease rating scores of 8.5 in detached leaf assays and 7.3 in attached leaf assays. Pathogen virulence showed a positive relationship with the disease intensity observed in the respective districts. Disease incidence and severity were further correlated with various prevailing environmental factors in these districts. Disease incidence was positively correlated with relative humidity and wind speed, while disease severity showed a positive correlation with relative humidity and rainfall but a negative correlation with maximum temperature. Other epidemiological factors did not exhibit significant relationships with the disease. This study concludes that the ‘Thal’ region is highly threatened by Ascochyta blight disease due to relatively higher relative humidity, rainfall, wind speed, and fungal virulence. Therefore, proper and timely management practices are essential to mitigate the impact of Ascochyta blight disease and address these influencing factors effectively.
Biotechnology for sustainable agriculture: innovations in disease management
Authors: Ali Qurban , Akhtar Tayyaba , Zuhra Naqshe , . Hasddin , Syarbiah Sarty , Ega Abdul Aman
Published: December 2024

The growing global population, limited natural resources, and climate change necessitate a shift toward environmentally sustainable agriculture. Traditional practices, reliant on chemical fertilizers, pesticides, and poor land management, compromise food safety and environmental integrity, exacerbating plant diseases and weakening crop defenses. Biotechnology offers solutions by enhancing agricultural productivity while reducing pests, diseases, and environmental impacts. This review highlights the role biotechnology in sustainable agriculture, focusing on biosurfactants, genetic engineering, precision agriculture, and biocontrol agents. Gene-editing technologies like CRISPR-Cas9 have enabled the development of disease-resistant crops, improving plant health and mitigating infections. In the future, biocontrol agents such as microbial inoculants and plant-derived antimicrobials may replace traditional pesticides, effectively managing plant diseases caused by bacterial, fungal, and viral pathogens. The present review also explores the potential of machine learning (ML) and artificial intelligence (AI) in optimizing crop management and the growing use of biosurfactants in industrial and environmental applications. Biosurfactants are crucial in suppressing phytopathogens, improving soil health, and fostering beneficial plant-microbe interactions for effective disease management. Although these advancements hold great promise, further research is required to assess their long-term sustainability and ecological impacts. Scaling these technologies, particularly in developing countries, remains a significant challenge. To establish sustainable food systems, an integrated approach combining genetic, environmental, and technological strategies is essential. This study reviews emerging biotechnological solutions, emphasizing their applications in plant pathology to improve crop resilience and ensure global food security.
Sağlık Çalışanlarında Tükenmişlik Düzeylerinin Depresyon, İş ve Yaşam Doyumu Açısından Yordanması: Çalışılan Birimler Arası Bir Değerlendirme
Authors: Çırakoğlu Fatma Tülay
Published: December 2024

İnsanlarla yüz yüze iletişimin fazla olduğu meslek gruplarında başta sağlık çalışanları, öğretmenler, kamu ve hizmet sektöründe çalışanlarda tükenmişlik durumunun ortaya çıkma ihtimali oldukça yüksektir. Bu çalışmada, sağlık çalışanlarının tükenmişlik düzeyleri ve bunların depresyon, iş doyumu ve yaşam doyumları ile ilişkisi çalışma alanları da değerlendirilerek karşılaştırmalı olarak belirlenmeye çalışılmıştır.
Araştırmaya 27 sağlık teknisyeni, 67 hemşire ve 26 doktor katılım sağlamıştır. Maslach Tükenmişlik, Beck Depresyon, Yaşam Doyumu ve Minnesota İş Doyumu Ölçeği kullanılmıştır. Verilerin analizinde Pearson Basit Doğrusal Regresyon Analizi ile Korelasyon Analizi kullanılmıştır.
Katılımcıların duygusal tükenme toplam puanları ile kullanılan diğer ölçeklerin toplam puanları arasında yüksek düzeyde ilişki olduğu görülmüştür. İçsel doyum, dışsal doyum ve depresyon düzeyi ile kurulan modelin duygusal tükenmeyi anlamlı olarak %55,4 oranında; yaşam doyumu ve depresyon düzeyi ile kurulan modelin duyarsızlaşmayı anlamlı olarak %28 oranında; içsel doyum ve yaşam doyumu ile kurulan modelin kişisel başarıyı anlamlı olarak %16,7 oranında açıkladığı görülmüştür. Çalışılan birime göre de yordayıcı farklılıklar olduğu görülmüştür.
Yapılan araştırmada diğer araştırmalardan farklı olarak çalışılan birimler arasında karşılaştırmalar yapılmaya çalışılmış ve yoğun bakım çalışanlarında tükenmişlik düzeyi ile depresyon düzeyinin daha çok ilişkilendirilebileceği, ameliyathane çalışanlarında kişisel başarı duygusu düzeyi ile yaşam doyumu düzeyi arasındaki ilişkinin pozitif yönlü ve daha kuvvetli olabileceği yönünde, servis çalışanlarının ise tükenmenin duyarsızlaşma düzeyi yönünden daha çok etkilenebileceği sonuçlarına varılmaktadır. Tükenmişlik düzeylerindeki farklılıkların nedenlerinin yeterince araştırılması, içsel doyumu ve dışsal doyumu etkileyebilecek kaynaklarda iyileştirmeler yapılıp yapılamayacağı konusunda istişarelerin yapılması ve tükenmişlik sendromunun kaynağında etkili olabilecek faktörlerin üzerinde durulması yapılan gözlemler sonucunda önem teşkil edebilecek durumlar olabileceği görülmüştür.
Bedensel Deneyimin İki Yansıması: Sanat ve Dil
Authors: Aydın Aysun
Published: December 2024

Pek çok farklı disiplin için sanat ve dil, insanı diğer canlılardan ayıran nihai entelektüel üretimi ve bilişsel başarısı olmaları bakımından ayrıcalıklı bir yere sahiptir. Felsefe tarihi içinde de sanatın ve dilin ya da estetik deneyim ve dil deneyiminin pek çok farklı kavramsallaştırması ile karşılaşmaktayız. Farklı bakış açıları bazen bizi bir bilinç ürünü olarak sanat ve dilin özne merkezli veya idealist yorumuna götürürken, bazen de sanat ve dilin kültürel, etkileşimsel ve deneyimsel yorumları bizi bu iki öğeyi birlikte ve ayrı ayrı yeniden düşünmeye davet etmektedir. Sözü edilen ikinci yaklaşım, öncelikli olarak fenomenolojik geleneğe aittir ve bedensel deneyime dayanan yeni bir sanat ve dil okuması sunmaktadır. Fenomenolojik yaklaşım, bir yandan estetik deneyimi ve sanatı, bedensel deneyimin nihai noktası olarak tanımlayıp anlam ile özdeşleştirirken, diğer yandan ve başka bir açıdan aynı nihai noktaya dili koymaktadır. Bu bağlamda, bu çalışmanın amacı sanat ve dili bedensel deneyimin iki nihai noktası olarak değerlendirmek, iki fenomenolojik yorumu karşılaştırmak ve tartışmaya açmaktır.
Hubungan Perilaku Seksual Remaja dengan Persepsi Remaja tentang Lesbian, Gay, Biseksual dan Transgender (LGBT)
Authors: Astilia Astilia , Fatimah Fatimah
Published: January 2025

Pendahuluan: LGBT dapat mengakibatkan penyakit menular seksual, dampak sosial, dampak pada pendidikan dan trauma psikologis pada remaja, hal ini dipengaruhi oleh perilaku seksual remaja sehingga akan mempengaruhi persepsi remaja tersebut untuk berperilaku sesuai dengan persepsi yang dimilikinya.   Tujuan: Untuk mengetahui hubungan perilaku seksual remaja dengan persepsi remaja tentang Lesbian, Gay, Biseksual dan Transgender (LGBT) Metode:  Desain penelitian ini adalah cross sectional. Populasi penelitian siswa dan siswi SMA kelas IX Padang Panjang. Sebanyak 38 orang Penelitian ini menggunakan metode acidental sampling dan alat ukur yang digunakan adalah kuesioner perilaku seksual dan kuesioner persepsi remaja tentang LGBT. Analisis statistik yang digunakan adalah uji fisher. Hasil: hasil penelitian menunjukkan bahwa paling banyak perilaku seksual remaja yaitu positif sebanyak 33 orang (86,8%) dan persepsi remaja paling banyak yaitu positif  sebanyak 25 (65,8%). Berdasarkan hasil analisis SPSS didapatkan p=0,038 (p<0,05) yang menunjukkan bahwa ada hubungan perilaku seksual remaja dengan persepsi remaja tentang LGBT di SMA Uswatu Hasanah Padang Panjang. Kesimpulan: adanya edukasi dan pendidikan agama yang didapatkan remaja akan mempengaruhi resiko kejadian LGBT yang berhubungan dengan perilaku seksual dan persepsi remaja.
Pengaruh Ekstrak Etanol Peronema canescens Jack terhadap Ekspresi Gen Tumor Necrosis Factor Alpha pada Sel HeLa
Authors: Ansharina Hafiznie , Revilla Gusti , Kadri Husnil , Desmawati Desmawati , Yusri Elfira , Ali Hirowati
Published: January 2025

Latar Belakang: Kanker serviks merupakan kanker yang menduduki peringkat keempat pada wanita di seluruh dunia. Kanker ini disebabkan oleh Human Papillomavirus (HPV) tipe resiko tinggi yang menyerang sel-sel leher rahim. Sel kanker akan mensekresi Tumor Necrosis Factor Alpha (TNF-α) untuk menjadikan lingkungan mikrotumor mendukung bagi kelangsungan hidup sel kanker. Terapi kanker serviks yang umum digunakan adalah pembedahan, radioterapi, dan kemoterapi. Terapi lain yang juga digunakan adalah tanaman herbal, contohnya sungkai. Ekstrak etanol daun sungkai (Peronema canescens J) mengandung senyawa yang berperan sebagai antiinflamasi dan antioksidan. Tujuan: Penelitian ini bertujuan untuk mengetahui pemberian ekstrak etanol daun sungkai dalam menurunkan ekspresi gen TNF-α pada sel HeLa. Metode: Penelitian ini merupakan penelitian true experimental dengan post test only control group design yang menggunakan 24 well plate kultur sel HeLa yang tumbuh secara konfluens. Sampel dibagi menjadi empat kelompok (K, P1, P2, dan P3). Kelompok perlakuan diberikan ekstrak etanol daun sungkai dengan konsentrasi inhibition concentration (IC)25, IC50, dan IC75 yang diinkubasi selama 24 jam. Sel yang telah diberi perlakuan akan dipanen untuk dilakukan isolasi RNA. Pemeriksaan gen TNF-α dilakukan menggunakan PCR Konvensional, kemudian band elektroforesis berukuran 47 bp dianalisis menggunakan ImageJ. Hasil: Data didapatkan dari analisis ketebalan band elektroforesis yang diukur menggunakan ImageJ. Analisis data dilakukan menggunakan uji One Way ANOVA dan Post Hoc Bonferroni, didapatkan rerata ekspresi gen TNF-α pada kelompok K, P1, P2, dan P3 secara berturut-turut adalah 0,32; 0,29; 0,23; dan 0,14. Terdapat perbedaan yang bermakna antara kelompok K terhadap P2 dan P3 dengan nilai p=0,000 (p<0,05), sedangkan kelompok K dengan P1 perbedaannya tidak bermakna (p>0,05). Kesimpulan: Pemberian ekstrak etanol daun sungkai pada konsentrasi IC50 dan IC75 mampu menurunkan ekspresi gen TNF-α pada kelompok sel HeLa.
Advances in Metal Chalcogenides and Metal Oxides Supercapacitors: A Comprehensive Review of Fundamental Mechanisms and Recent Progress
Authors: Bhendarkar Prashant R. , Rakhade Hitesh M. , Mendhe Arpit B. , Barse Neha S. , Chaudhary Dilip S. , Mendhe Avinash C.
Published: December 2024

The rising worldwide demand for energy storage devices has driven significant advancements in studies regarding supercapacitor (SC), particularly in the context of renewable green energy systems and electronics. SCs have come up as a critical technology, providing ultra-fast charging, long lifespan and high-power density when compared to conventional batteries. These attributes make SCs ideal for applications that needs surging energy delivery, such as electric vehicles and grid energy storage systems. Lately wide range of research has been focused on enhancing the energy density through the development of advanced evolved materials and device architectures. This review article discusses recent advancements in SC, particularly in electrode materials, such as transition metal oxides (e.g., RuO2, MnO2, V2O5) and metal chalcogenides (e.g., MoS2), which exhibit high surface area, great electrical conductivity, and mechanical stability. These materials, alongside carbon-based materials like graphene and conducting polymers, have demonstrated significant improvements in charge storage capacity and energy transfer efficiency. Hybrid materials containing metal oxides with carbon-based contents have shown great promise in enhancing both energy and power densities. The review also discusses recent trends in electrolytes, including ionic liquids, aqueous solutions, and solid-state electrolytes, which have played significant role in improving SC performance by widening the voltage window and enhancing stability. Despite these technological advancements, challenges such as cost-effective material production and scalability remain barriers to widespread commercialization. The customization of SCs into hybrid energy storage systems alongside batteries and fuel cells presents a promising avenue for future development. This review article pins down the importance of ongoing research to overcome these challenges while fully realizing the potential of SCs in the evolving energy landscape.
Biodegradable Polymers in The Development of Infiltration Devices
Authors: Asthana Nidhi , Srivastava Anshuman
Published: December 2024

To provide safe and clean water for a variety of purposes, water filtration is essential. Traditional filtration materials, while effective, often pose environmental concerns due to their non-biodegradable nature. In recent years, biodegradable polymers have emerged as a promising alternative in the field of water purification. This manuscript provides a comprehensive overview of biodegradable polymers used in water filtration, emphasizing recent advancements and applications. We explore the types of biodegradable polymers, their mechanisms in filtration, and highlight the latest developments and real-world applications. This technology is essential for ensuring the availability of clean water and protecting human health. Traditional filtration media, such as synthetic polymers, are effective but pose threat to environmental due to their non-biodegradable nature. Biodegradable polymers have emerged as a sustainable alternative for effective filtration with minimal environmental impact. This article reviews the latest advances in biodegradable polymers for filtrations process, exploring their types, synthesis of membrane, mechanisms, and recent applications.