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Influence of open-top chambers induced climate warming on secondary metabolic profile of culturally and medicinally important plants of Himalaya, Karakoram and Hindukush

Plants native to colder climates, higher elevations, or semi-arid regions have more phenolic compounds in their organs. Faced with the current climate crisis, the effects of global heating with overgrazing pressure on natural pastures are not fully recognized in the Himalaya-Karakoram and Hindukush (HKH) region. The objective of this research was to investigate how biological active compound accumulation and concentration of high-elevation plants change under the influence of simulated climate warming which was induced by open-top chambers. The bioactive profiling plant species from experimental units were investigated through High-Performance Liquid Chromatography (HPLC), and compared with control. That revealed a significant increase in the major phenolic acid and flavonoid compounds (Rutin, Quercetin, Myricetin, Gallic Acid, and Kaempferol). The accumulation of other minor compounds, such as Vanillic Acid, Syringic Acid, Ferulic Acid, and Catechin, showed species-specific variation in concentration. The species-specific responses indicated the dominant and positive adaptation species such as P. macrophylla, A. rupestris, A. penduncularis, P. hololeuca, P. alpina, and under stress could accumulate more secondary metabolites, explaining their capacity for adaptation. These species’ proliferation under a stressed climate and higher elevation with grazing pressure provides insightful information about their exploitation of phenolic compounds which may alter the environmental sustainability.

Establishment of a prognostic nomogram and risk stratification system for patients with combined hepatocellular-cholangiocarcinoma

Atomic-Precise Active Site Surgery on Carboranylthiolate-Protected Silver Nanocluster Catalysts

Targeted transarterial embolization of the femoral head: development of a minimally invasive approach to model Legg-Calvé-Perthes disease in piglets

Clinical management of children with Legg-Calvé-Perthes Disease (LCPD) is hampered by incomplete understanding of how the extent of ischemic injury and the duration and quality of subsequent repair determine patient outcome. The traditional piglet model of LCPD is limited to capturing global femoral head ischemia; thus, a new model is needed in which the extent of ischemia can be varied to replicate the spectrum of disease seen in children. In this exploratory study, we used an iterative approach to test and refine methods to bilaterally occlude vessels supplying the femoral heads in n = 8 young piglets under angiographic control. The deep and/or acetabular medial femoral circumflex arteries (DMFCA and AMFCA) were identified and embolized using either embolic particles or liquid embolic agents. The extent of ischemia was assessed immediately post-embolization (4 piglets) and/or 7 days following embolization (7 piglets) using contrast-enhanced magnetic resonance imaging (CE-MRI). After the final CE-MRI, piglets were euthanized, and their femora were harvested for histologic evaluation. Embolization of the DMFCA alone caused transient ischemia that largely resolved by 7 days with small regions of fibrovascular repair of ischemic injury remaining on histology. Embolization of both the DMFCA and AMFCA resulted in a greater degree of pathologic changes at 7 days post-operatively, but also with nearly complete restoration of femoral head perfusion. We found that combining injection of embolic particles with subsequent placement of an embolic micro-coil was the most effective approach to induce ischemic injury, which may be aided in larger piglets. While our findings should be interpreted cautiously due to the wide range in the age and size of animals investigated, they demonstrate that transarterial embolization of the vascular supply of the femoral head results in transient ischemia and histological changes consistent with partial ischemic injury. These results will inform further development of a minimally invasive piglet model of LCPD that offers a unique representation of the spectrum of pathophysiology of LCPD compared to the traditional model.

Association between outdoor air pollutant exposure and refractive error changes: A retrospective clinical practice study

Groove-Confined Cobalt Catalyst for Low-Temperature CO ₂ Activation

In silico analysis to explore the therapeutic potential of propolis-derived small molecules as matriptase inhibitors to suppress breast cancer growth and metastasis

Breast cancer is a major cause of death in women, and various drug therapies are used for its treatment. However, current therapies have many side effects and limitations. Propolis, a resinous product of bee hives, possesses a variety of biological activities, including anticancer and chemo-protective properties. The present study aimed to investigate the potential suitability of propolis-derived compounds to inhibit matriptase (MT-SP1), a potential protein target for breast cancer treatment, through comprehensive computational analysis. The MT-SP1 protein structure (PDB ID: 1EAX) was retrieved, energy-minimized, and validated. Five propolis-derived compounds with the highest binding energies to MT-SP1 were selected after virtual screening. Molecular docking of these selected ligands revealed binding energies ranging from -8.4 to -9.1 kcal/mol. Stable complex formation was validated by an additional 250 ns of molecular dynamics simulations. The HOMO-LUMO and DFT characteristics provided further evidence of the chemical reactivity and stability of these five ligands at the MT-SP1 active site. Screening of compounds for drug-likeness, pharmacokinetics (ADMET profiles), and toxicity identified two promising small molecules (PubChem IDs of ligands 72307 and 129827386) as potential drug candidates for inhibiting MT-SP1. However, experimental validation through in vitro or in vivo studies is necessary to confirm these computational findings and explore their therapeutic potential for breast cancer treatment.

Water status and plant traits of dry bean assessment using integrated spectral reflectance and RGB image indices with artificial intelligence

Erythromycin Stress Upregulates Antiangiogenic Metabolites in the Gut Bacterium <i>Aneurinibacillus aneurinilyticus</i>

Medication adherence scales in non-communicable diseases: A scoping review of design gaps, constructs and validation processes

Introduction NCDs arise from complex interactions of modifiable factors such as unhealthy lifestyles, poor diet, and psychosocial challenges, along with non-modifiable factors like age and genetics. Notably, medication non-adherence is a widespread and growing concern, significantly contributing to disease progression and poor outcomes globally. Objective This scoping review aims to synthesize evidence on medication adherence scales used for selected non communicable diseases. It examines their development methods, psychometric properties, and assessed domains, while identifying gaps or limitations in their design and application. Materials and methods The Joanna Briggs Institute methodological framework guided this scoping review and the protocol was registered prospectively to ensure methodological transparency and rigor. Electronic databases, the reference list of included articles, and grey literature were searched. Studies published in English from January 1950 to June 2024 were included. Two reviewers independently screened all articles, and a third reviewer settled any conflicts between the reviewers. Critical appraisal of the screened-in articles was done using JBI critical appraisal scales. The data was compiled into tables and a narrative summary that is consistent with the review’s goal. Results Our study included 140 articles, identifying 57 medication adherence scales. These scales, developed using qualitative methods (10.8%), literature review (32.4%), and mixed methods (45.9%), primarily focus on behavior, often neglecting cost-related non-adherence, self-efficacy, and systemic barriers. Psychometric findings varied widely, reflecting heterogeneity in study designs and scale development approaches. Many scales lack validation in diverse settings, underscoring the need for comprehensive, context-sensitive tools. Conclusion This scoping review highlights gaps in existing medication adherence scales for NCDs, particularly their limited consideration of socioeconomic and cultural factors and incomplete adherence assessment. Future research should focus on developing more holistic, contextually relevant adherence scales that integrate these dimensions. Strengthening adherence measurement methodologies can enhance patient-centered care, inform policy interventions, and improve health outcomes.

A TaqMan qPCR for precise detection and quantification of diarrheagenic Escherichia coli

Furan-Derived Lipid Nanoparticles for Transporting mRNA to the Central Nervous System

Design, optimization, and ADMET evaluation of S11a-0000168202: A promising LIMK1 inhibitor for gastric cancer treatment

This study focuses on the development and optimization of S11a-0000168202, a novel LIMK1 inhibitor with potential therapeutic applications in gastric cancer. Through scaffold hopping and structural modification of HIT100844099, S11a-0000168202 demonstrated enhanced binding stability and stronger interactions with key LIMK1 residues, including GLU-414, ILE-416, and HIS-464. Molecular dynamics simulations and MMGBSA analyses confirmed the compound’s stability, while ADMET evaluation revealed favorable properties such as moderate lipophilicity, good human intestinal absorption, and low P-glycoprotein inhibition. Despite the promising computational results, the lack of experimental validation remains a limitation. Future studies should focus on in vitro and in vivo testing to confirm S11a-0000168202’s efficacy, pharmacokinetics, and safety. This compound holds significant potential as a therapeutic agent for LIMK1-targeted gastric cancer treatment.

Gabapentin drug interactions in water and aqueous solutions of green betaine based compounds through volumetric, viscometric and interfacial properties

Abstract Betaine as a bio-based surfactant, has been found in a variety of natural sources. Betaine improves drug absorption, protect drugs from degradation, and enhance the performance of various therapeutic and hygiene products. To investigate the interactions between gabapentin (an antiepileptic drug) and betaine-based compounds, series of experiments were conducted at 298 K. These experiments involved volumetric, viscometric, and surface tension measurements of aqueous solutions containing gabapentin and various betaine-based compounds, including betaine, betaine octyl ester chloride ionic liquid and betaine-urea deep eutectic solvent (molar ratio of 1:2). Additionally, the Conductor like Screening Model (COSMO) method were employed to gain further insights into molecular interactions governing these systems. The volumetric studies revealed that the standard partial molar volumes V 0 φ of the betaine-based compounds increased with increasing gabapentin concentration, suggesting significant solute-solvent interactions. The apparent specific volume (ASV) and the hydration number (n H) for gabapentin in the examined systems were calculated. The analysis of the obtained ASV and n H values indicated that gabapentin exhibits a bitter taste in aqueous deep eutectic solvent (DES) solutions and in the presence of betaine it gets most dehydrated. The viscosity measurements, analyzed using the Jones-Dole equation, yielded negative viscosity B-coefficient values for the betaine octyl ester chloride ionic liquid, suggesting its potential to enhance the drug-related properties of gabapentin. Surface tension measurements were used to determine the critical micelle concentration (CMC) of the betaine-based compounds and their related surface properties such as interface surface pressure ( $$\Pi$$ ), and Gibbs maximum excess surface concentration ( $${\Gamma _{\hbox{max} }}$$ ). The CMC values decreased with increasing gabapentin concentration, indicating enhanced micellization. The betaine octyl ester chloride ionic liquid exhibited the lowest CMC, suggesting its superior ability to form micelles. The results of this study suggested that the betaine-based compounds improve drug absorption, protect drugs from degradation, and enhance the performance of various therapeutic and hygiene products underscores their importance in both the pharmaceutical and industrial sectorsunds, particularly the betaine octyl ester chloride, may have the potential to improve the drug-related properties of gabapentin.

Radical Deamination of Primary Amines for Initiation of Controlled Polymerization

USS-Net: A neural network-based model for assisting flight route scheduling

Air traffic congestion-induced flight accidents pose a significant challenge in the aviation sector. Currently, aviation navigation systems primarily rely on GPS and Inertial Navigation Systems (INS) to track aircraft, yet they lack the capability to recognize and provide early warnings about the surrounding environment. To address this issue, this paper proposes a multi-aircraft parallel approach aimed at enabling coordinated flight along the same route. This method utilizes a neural network-based semantic segmentation model to monitor aircraft and perform situational awareness of the surrounding environment, thereby assisting in multi-aircraft route scheduling. When wake turbulence is generated, the model can identify the wake, further enhancing flight safety. Recently, state-space models (SSMs) based on Mamba have demonstrated outstanding performance in computational efficiency and inference speed. Based on this, we designed a U-shaped State Space Block UNet (USS-Net), which consists of StateConvBlock and ResConvBlock. The StateConvBlock integrates Mamba as a fundamental module for understanding temporal dynamics and contextual information. By constructing a symmetrical encoder-decoder structure, the model progressively extracts image features and performs multi-scale fusion to achieve high-precision pixel-level segmentation. Experimental results show that USS-Net achieved outstanding performance on the aircraft simulation dataset. On an NVIDIA A100-SXM4-40GB GPU, USS-Net attained a mean Intersection over Union (mIoU) of 95.70% and a pixel accuracy (PA) of 97.80% on the simulation training dataset. These results demonstrate that USS-Net performs effectively in assisting multi-aircraft parallel route scheduling tasks.

Multinomial multilevel analysis of factors affecting the use of modern contraceptives in sub-Saharan Africa: evidence from 2015 to 2023 Demographic Health Survey

Regulating the Piezoelectricity of Cyclic Dipeptide-Based Supramolecular Materials through Co-Assembly Strategy

Mechanisms of synergy creation for social-ecological transformation: Leverage point analysis of the emergence of autonomous innovations

Transformation of social-ecological systems is required to overcome complex and difficult challenges and move forward toward sustainable futures for humanity and the environment. We have accumulated case examples of autonomous innovations emerging among community members in rural areas of developing countries through transdisciplinary dialogues with innovators. Collective actions among diverse actors in communities are mobilized in these autonomous innovations to promote transformations by creating synergies among resource management practices. Synergy creation has a greater impact on transformations of social-ecological systems because broader people are involved in the network, the range of covered resources and ecosystems is wider, and diverse beneficiaries are involved. We applied a novel approach to visualize leverage points in the emergence processes of synergies in autonomous innovations to understand the pathways and mechanisms of social-ecological transformation driven by these innovations. We made comparisons of 17 cases of autonomous innovations with and without synergies to clarify the mechanisms of social-ecological transformations through synergies. The process of synergy creation was complicated and several factors in the initial phases of autonomous innovations interact with each other to generate synergies. These factors included perception changes of people and innovators and visualization of new challenges. We also found that diverse functions of leverage points appearing at the initial phases played critical roles in synergy creation. Functions related to synergy creation such as the visualization of challenges, creation of values, and promoting changes of perceptions were important. Based on these analyses, we propose six guiding principles for local practitioners, community-based innovators, and transdisciplinary scientists collaborating with these actors to promote the transformation of social-ecological systems through the creation of synergies in autonomous innovations.

CF-YOLO for small target detection in drone imagery based on YOLOv11 algorithm