The conventional gas-phase simulated moving bed (SMB) process is a promising alternative to the cryogenic distillation for the rejection of nitrogen from methane streams for small-scale applications. However, one of its biggest disadvantages is the need to separate the downstream products, in this case, methane and nitrogen, from the desorbent species that is used in the process to regenerate the adsorbent. To overcome this, one can use a combination of pressure swing adsorption (PSA) steps and displacement chromatography to remove the adsorbed phase from the solid material. This way, the desorbent gas can be removed from the process. This work presents an in-silico study of such hybrid SMB/PSA process. A parametric study was also conducted to observe the effect of different operating conditions on the performance and improve the process. This advanced technique was able to produce high purity methane and nitrogen streams, meeting stricter purity requirements for methane streams (97%) and achieving high nitrogen purity (99%). Partial recovery of the purge outlet stream as heavy product gas enables an increase in methane recovery and productivity, reaching values of up to 97.3% and 11.5 kg·m −3 ads ·h −1 , respectively. Optimising the purge flow leads to a higher nitrogen recovery and productivity. Maintaining very low desorption pressures (0.1 bar) was found necessary to achieve a good process performance, leading to higher power consumption (503.0 W·h·kg −1 CH4 ). • A hybrid SMB/PSA process was modelled for the separation of methane and nitrogen mixtures • A strategy for the determination of the optimal operating conditions of the process was defined and a parametric study was conducted • High purity, recovery and productivity values were obtained for both product streams

Synthesis, biological activity and in silico study of pyrimidine-triazole hybrids

To develop novel hydropyrimidine linked amide-pyridine hybrids as anticancer agents. An array of molecular hybrids 6a-6n has been synthesized and evaluated for their in vitro cytotoxicity against breast (MCF-7, MDA-MB-231), pancreatic (AsPC-1, BxPC-3, SW1990), and normal cell lines (HEK-293, MRC-5, and MCF-10A). Further, in silico absorption, distribution, metabolism, and excretion (ADME), docking, molecular dynamics (MD) simulation and density functional theory (DFT) studies of potent hybrids were executed. Hybrids 6i and 6l showed enhanced activity against breast cancer cells with IC50 between 6.15 ± 0.39 and 41.82 ± 4.94 µM, while 6m exhibited enhanced activity against both breast and pancreatic cancer cells with IC50 between 8.72 ± 0.64 and 36.24 ± 3.34 µM (p < 0.05, three independent biological replicates). Against breast cancer cells, 6m displayed ~3-fold superior activity than 5-fluorouracil while against pancreatic cancer cells, it exhibited comparable to superior activity. Further, 6m selectively targets cancer cells over normal cells considerably, binds well with thymidylate synthase (-8.8 kcal·mol-1) and forms stable complex as revealed from docking and MD simulations. ADME analysis proposes favorable features for good oral bioavailability. This study ascertains 6m as a promising lead for further biological evaluation and structural optimization toward the development of potential anticancer agents against pancreatic and breast cancers.

Hydroxyapatite (HAp) is an effective inorganic gene delivery carrier due to its ability to transport genetic cargo across cell membranes, protect it from proteolysis, and enable escape from late endosomes via pH-controlled dissolution. However, its transfection efficiency remains lower than that of viral agents, prompting studies of hybrids with cationic molecules or phases to enhance the gene delivery performance. This study reports on the synthesis of HAp in regular and reverse micellar regions of a ternary microemulsion system composed of cetyltrimethylammonium bromide (CTAB), 1-hexanol and water. Spectroscopic characterization revealed that CTAB headgroups adopted more ordered supramolecular conformations in reverse micelles compared to regular ones. Similarly, water within reverse micelles exhibited more homogeneity and unexpected freedom, creating favorable entropic conditions for chemical reactions. CTAB showed strong electrostatic affinity for DNA and bound more effectively to HAp synthesized within the confined nanoscale environment of reverse micelles than to HAp produced in the aqueous continuum surrounding regular micelles. Also, reverse micelles produced narrowly dispersed, rod-shaped HAp nanoparticles, unlike the larger, macroporous particles formed in regular micelles. Both of these effects predisposed HAp from reverse micelles to exhibit a higher transfection efficiency in K7M2 osteosarcoma cells than its regular micelle counterpart. Despite these positive outcomes, HAp could only partially mitigate the cytotoxic effects of CTAB. Therefore, further exploration of advanced synthesis methods, biocompatible surfactants or strategies to preserve the synergy between HAp, CTAB and DNA while reducing CTAB toxicity is essential for enhancing the gene delivery performance of reverse micellar HAp.

Stroke minimization through additive anti-atherosclerotic agents in routine treatment (SMAART) II: Rationale for a multi-country polypill phase 3 trial in sub-Saharan Africa.

In this study; during the spring vegetation period of 2019-2020, fixed and essential oil ratios, their components and, oil yield were determined in 31 black cumin genotypes at advanced yield level, developed by phenotypic recurrent selection method, under in Ankara ecological, fertilizer-free and pesticide-free growing conditions. Fixed oil ratio is determined by the solvent extraction method in the soxhlet device; Its components were determined by gas chromatography. The amount of thymoquinone was determined according to the UV spectrum (PDA). In the two-year evaluation, significant differences were seen between the lines. The results indicate that the USDA-Egyptian population (No. 26) exhibited an average fixed oil content of 34.8%-33.5% in 2019 and 2020, with the highest rate reaching 38.9%. Additionally, the oil yield average from the Burdur genotype (No. 4) was 13.2 kg da-1 -12.3 kg da-1, and the highest oil yield recorded was 17.5 kg da-1. Analysis of fixed oil components over the years revealed linoleic acid as a major component at 52.4%, 56.3% and 54.3%, oleic acid at 23.2%, 24.8% and 24.0%, palmitic acid at 10.4%, 12.2% and 11.3%, and stearic acid at 4.3%, 3.2% and 3.7%, respectively. Essential oil results showed variations ranging from 0.01% to 0.08%, with thymoquinone (54.4%-83.1%), p-Cimen (1.0%-16.4%), cis-4-Methoxy thujane (1.8%-5.8%), and longifolene (0.5%-8.5%) identified as the primary components. These results obtained from the study and the high-quality characteristics (ratio and yield) of the naturally grown black cumin plant, reveal the positive impact of good agricultural practices. In addition, the lines that stand out as a result of the research can be used in hybridization studies and can be safely evaluated as a new, multipurpose potential product for pharmaceutical, industrial, and cosmetic uses.

ABSTRACT Training Artificial Neural Networks (ANNs) with Stochastic Gradient Descent (SGD) frequently encounters difficulties, including substantial computing expense and the risk of converging to local optima, attributable to its dependence on partial weight gradients. Therefore, this work investigates Particle Swarm Optimisation (PSO) and Genetic Algorithms (GAs) – two population-based Metaheuristic Optimisers (MHOs) – as alternatives to Stochastic Gradient Descent (SGD) to mitigate these constraints. A hybrid PSO-SGD strategy is developed to improve local search efficiency. The findings indicate that the Hybrid (PSO-SGD) technique decreases the median training MSE by 90%-95% relative to conventional GA and PSO across various network sizes (e.g. from around 0.02 to approximately 0.001 in the Sphere function). RMHC attains substantial enhancements, reducing MSE by roughly 85%-90% compared to GA. Simultaneously, RS consistently exhibits errors exceeding 0.3, signifying subpar performance. These findings underscore that hybrid and evolutionary procedures significantly improve training efficiency and accuracy compared to conventional optimisation methods and imply that the Building Block Hypothesis (BBH) may still be valid, indicating that advantageous weight structures are retained during evolutionary search.

Corrigendum to “Synthesis, anticancer, computational and docking studies of new thymol hybrids as potential EGFR inhibitors” [Journal of Molecular Structure 1353 Part 2(25 February 2026) /144762

Wave energy represents one of the most abundant and underutilized renewable energy resources, offering substantial potential to reduce global dependence on fossil fuel–based energy systems. Despite its promise, the practical exploitation of wave energy remains technically challenging, hindering its widespread deployment. This study presents a comparative electromagnetic analysis of inner-rotor and outer-rotor flux-switching permanent magnet (FSPM) generators designed for direct-drive wave energy conversion at a low operating speed of 30 rpm. To ensure a fair comparison, both topologies are designed with identical volumes of ferrite permanent magnets and magnetic materials. Two-dimensional finite element analysis (2D FEA) is employed to assess key performance metrics, including power density, efficiency, and flux characteristics. The results indicate that the outer-rotor configuration exhibits superior performance, achieving higher power density and efficiency, primarily due to its enhanced air-gap flux density and improved flux regulation capability. Both generator designs demonstrate strong potential for application in low-speed, direct-drive wave energy systems.

Bridging the gap: A comprehensive analytical study of traditional, hybrid, and explainable AI for bridge condition prediction

3D-QSAR Study of quinazolinone-Schiff's base hybrids Affords both Descriptive and Predictive Models for PDE4 Inhibitors

Abstract Background: Ribociclib plus a nonsteroidal aromatase inhibitor demonstrated a significant invasive disease-free survival (iDFS) benefit in a broad population of patients with HR+/HER2− EBC, including those with node-negative disease in the phase 3 NATALEE trial. Abemaciclib plus ET also showed a significant iDFS benefit in patients with high-risk node-positive HR+/HER2− EBC in the phase 3 monarchE trial. However, evidence gaps persist related to real-world effectiveness, patient experiences, and safety with CDK4/6is in EBC. REPOWER, a retrospective clinical charts review and prospective patient-reported outcome (PRO) assessment, aims to characterize patients, clinical benefit, treatment experiences, and safety associated with adjuvant CDK4/6i treatment in the real-world EBC setting. Study design: REPOWER is a multicenter, international (13 countries in North American, Europe, and Asia), noninterventional, hybrid study assessing effectiveness; adherence, treatment satisfaction, and quality of life through PROs; and safety in patients with HR+/HER2− EBC treated with a CDK4/6i + ET. Data will be collected from patients aged ≥18 years with HR+/HER2− stage II or III EBC who have initiated adjuvant treatment with a CDK4/6i, in accordance with its approved local label, within 14 days prior to enrollment. Patients who have had a local or distant breast cancer recurrence before the CDK4/6i initiation date, or who enrolled in clinical trials ≤12 months prior to the initiation date, will be excluded. This study has a hybrid design, including a retrospective analysis of patient data from electronic health records and prospective data from PRO questionnaires and interviews. Two groups will be included, patients treated with ribociclib + ET as the primary cohort and patients treated with abemaciclib + ET as an exploratory cohort. The index date (time [T] 0) will be defined as the initiation of adjuvant ribociclib/abemaciclib. Patients will be followed up from T0 until death, lost to follow-up, end of the study period, or enrollment in a clinical trial, whichever occurs first. The expected enrollment period will be between 12-18 months, with planned patient follow-up for ≥36 months and a maximum follow-up of 54 months. This trial aims to enroll approximately 2650 patients in the ribociclib + ET cohort and 250 patients in the abemaciclib + ET cohort. The primary and secondary objectives will assess patients in the ribociclib + ET cohort. Primary outcomes include iDFS and distant disease-free survival (defined using Standardized Definitions for Efficacy End Points criteria). Select secondary objectives include baseline characteristics, PROs (adherence, health-related quality of life, treatment satisfaction, work productivity, patient self-reported treatment experiences), safety, and treatment patterns in the adjuvant and metastatic settings if distant recurrences occur. Subgroup analyses by nodal status, menopausal status, stage, and chemotherapy use will be performed. The exploratory objectives will assess patients in the abemaciclib + ET cohort. Objectives include baseline characteristics, PROs, and adverse events. Citation Format: M. Lustberg, S. Wang, A. Casas, Y. Zhu, N. Derakshan, G. Mason, M. Campone, M. De Laurentiis, M. Fernandez-Abad, J. Sirieix, M. Akdere, F. Ye, P. Dominguez Castro, A. Ring. Repower: a real-world noninterventional study of outcomes and experiences in patients with hormone receptor-positive (HR+)/human epidermal growth factor receptor 2-negative (HER2−) early breast cancer (EBC) treated with an adjuvant cyclin-dependent kinase 4 and 6 inhibitor (CDK4/6i) plus endocrine therapy (ET) [abstract]. In: Proceedings of the San Antonio Breast Cancer Symposium 2025; 2025 Dec 9-12; San Antonio, TX. Philadelphia (PA): AACR; Clin Cancer Res 2026;32(4 Suppl):Abstract nr PS3-08-27.

A novel series of seven carbazole-aniline hybrids (5a-5g) were designed, synthesized, and evaluated as potential anticancer agents. Among them, compound 5e, bearing a para-methoxy substituent, emerged as the most potent candidate, demonstrating significant cytotoxicity against breast cancer (MCF-7) and colon cancer (SW480) cell lines with IC₅₀ values of 26.4 ± 2.54 µM and 34.5 ± 1.69 µM, respectively. Notably, its activity against MCF-7 was comparable to the reference drug Erlotinib (IC₅₀ = 39.3 µM). Structure-activity relationship studies revealed that electron-donating groups significantly enhance cytotoxic effects, while electron-withdrawing substitutions diminish activity. Molecular docking studies showed that compound 5e binds effectively to the EGFR active site with a binding energy of -8.6kcal/mol, forming key hydrogen bonds with critical residues Asp831 and Thr766. Molecular dynamics simulations further confirmed the stability of the 5e-EGFR complex. In silico ADME predictions indicated favorable drug-like properties for all compounds, consistent with Lipinski's Rule of Five. Based on its potent cytotoxicity, strong target binding, and optimal pharmacokinetic profile, compound 5e is identified as a promising lead candidate for further development as an EGFR-targeting anticancer agent.

Purpose Minimizing food loss and waste (FLW) throughout the food supply chain (FSC) is imperative for achieving global sustainability. While Industry 4.0 technologies offer innovative solutions, a practical understanding of their stage-specific suitability in mitigating FLW remains inadequate. This study examines research trends, applicability and impediments in leveraging these technologies and empirically validates their suitability in advancing SDG 12.3. Design/methodology/approach A multi-stage systematic literature review (SLR) of 122 research papers was employed to identify emerging themes. Subsequently, a structured questionnaire was administered to 34 domain experts, who ranked six technologies: Artificial Intelligence (AI), Big Data Analytics (BDA), Blockchain, Cloud Computing (CC), Internet of Things (IoT) and Digital Twin (DT), across five FSC stages. Kendall's Coefficient of Concordance (W) was utilized to assess expert consensus, followed by the determination of suitable technologies across FSC stages. Finally, a decision support framework (DSF) was developed to guide the selection of technologies. Findings A significant consensus was observed across all FSC stages, with the strongest being in the Consumption, Distribution and Post-Harvest stages. Stage-wise rankings identified Blockchain and BDA as most suitable for Production; DT and IoT for Post-Harvest; AI and DT for Processing; IoT and Blockchain for Distribution; and BDA and AI for Consumption. The DSF demonstrates that each technology occupies a distinct resource quadrant. For example, Blockchain falls in the high capital, moderately high technology and low skills quadrant, etc. This precise mapping aids decision-makers in technology adoption under varying organizational constraints. Originality/value Integrating systematic synthesis with empirical validation, the study develops a novel DSF to guide managers and policymakers in adopting stage-appropriate Industry 4.0 technologies for sustainable operations.

Abstract During the discharge process of Hall thrusters, various plasma instabilities occur across frequency bands. The ion transit-time instability (ITTI), with frequencies of 100-500 kHz and periods matching ion transit times through the acceleration region, significantly impacts ion energy distribution and thruster performance. While influenced by channel structure and discharge conditions, its mechanisms need clarification. This study develops a one-dimensional axial hybrid model, treating ions and neutrals kinetically via particle-in-cell methods and electrons as a fluid, to investigate ITTI generation and effects of channel length, gas mass flow rate, and magnetic field strength. Results show the ITTI originates from ion acoustic waves driven by electron pressure gradients, inducing density perturbations and electric field oscillations that propagate downstream at ion-like phase velocities. This causes periodic variations in discharge current, ion velocity, and density, generating ions into low- and high-energy groups, with low-energy ion packet dominating ITTI propagation. Stronger magnetic fields intensify the electric field and amplify ITTI oscillations. Longer channels modify magnetic field distribution, increasing electron mobility and reducing ITTI amplitude and frequency. Higher mass flow rates increase ion flux, amplify electric field oscillations and raise the ITTI amplitude and frequency. Findings validate the dispersion relation theory, with growth rate inversely proportional to the square root of electron mobility and frequency correlated with ionization rate and atom density.

Performance studies of an innovative hybrid integrated thermal management system based on CO2 heat pump for electric vehicles

Synthesis, anticancer, computational and docking studies of new thymol hybrids as potential EGFR inhibitors

Designing and computational studies of Novel 5-Fluorouracil hybrids as thymidylate synthase inhibitors for targeting non small cell lung cancer.

New conjugates of an anticholinesterase drug, amiridine, linked to vitamin B6 derivatives pyridoximines 3 and pyridoxamines 4 with different lengths of alkylene spacers, were synthesized and assessed as potential multifunctional anti-Alzheimer's disease (anti-AD) agents. All conjugates demonstrated high acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibition (IC50: AChE, 0.386-2.53μM; BChE, 0.031-1.45μM), but poor activity against off-target carboxylesterase. Conjugates were mixed-type reversible inhibitors of AChE and BChE and displaced propidium from the AChE peripheral anionic site at the level of donepezil. All conjugates inhibited Aβ42 self-aggregation in the thioflavin test, wherein conjugates 3 were more active; inhibition increased with spacer elongation, being greatest for (CH2)8. Results agreed with molecular docking to AChE, BChE and Aβ42. Conjugates exhibited high ABTS•+-scavenging activity comparable to Trolox and the starting pyridoxal. Moreover, compounds 4 were three times more active than their imine analogues 3, which agreed with quantum chemical analysis. Using the example of imine 3c, the possibility of conjugates of this type to bind biogenic metal ions was shown by UV-Vis spectroscopy. Pyridoxamines 4a,b with spacers n=4,6 were less toxic in general than imines 3a,b toward HEK293T, HepG2, and SHY5Y cell lines. Additionally, conjugates demonstrated neuroprotection in models of hydrogen peroxide and glutamate-induced oxidative stress in neuroblastoma SH-SY5Y cells, where compounds 4a,b were more active than 3a,b. Altogether, the results indicated that the new conjugates possessed potential for further development as multifunctional anti-AD drug candidates.

High-efficiency control of PEMFC for fast startup and dynamic operating conditions: Improved hybrid MPPT algorithm and study on tracking efficiency performance