Search Results (3,167)

Background/Objectives: The present study estimated the potential therapeutic effects of Borassus flabellifer immature endosperm extract (BFE) on the metabolic disorders of diabetes and hypothyroidism using a mixed research design. Methods: Characterization of phytochemicals via GC-MS demonstrated a highly abundant list of bioactive compounds, and it encompassed phenolic derivatives, methylxanthines, fatty acids, and inositol-related compounds. Molecular docking indicated that the major phytoconstituents showed positive binding affinities to the most vital metabolism and endocrine receptors, namely, TRβ1, PPARγ, and AMP-activated protein kinase (AMPK). Notably, both compounds C1 and C2 were highly affined towards TRβ1 (−7.8 and −7.6 kcal/mol), which is attributed to interactions in the active site through hydrogen bonding and hydrophobic responses, which means that the identified compounds were found to have good predicted interactions with some metabolic- and thyroid-associated targets and could be used to form preliminary hypotheses for further mechanistic studies. The in vivo data showed that the disease-induced groups were marked by hyperglycemia, imbalance in thyroid hormones, and dyslipidemia, as well as liver, kidney, and heart dysfunction. BFE caused significant decreases in these changes, which were also observed through improvements in fasting blood glucose, T3, T4, and TSH; partial restoration of lipid profiles; and dampening of liver and kidney injury signalers. The cardiac risk indices were also reduced significantly after BFE administration. Positive changes in body weight gain, feed ratio, and metabolic ratio further reflected better physiological stability. Results: These findings were corroborated by histopathological analysis, which showed that the tissue architecture of the pancreas, liver, kidney, and heart had significantly recovered in the study. BFE still showed constant therapeutic activity even though the magnitude of response was attenuated when combined disease conditions were used. Conclusions: Comprehensively, the results indicate that BFE potentially plays a role in the amelioration of metabolic and endocrine abnormalities of diabetic and hypothyroid conditions. These observations should be regarded as hypothesis-generating, as further mechanistic and translational studies are needed to substantiate their biological relevance. Full article

4-Ethylguaiacol (4-EG) is a volatile phenolic compound associated with smoky, woody, and spicy aroma notes in fermented foods and beverages, including Baijiu. In this study, a 4-EG-producing strain, designated JN11, was obtained by screening isolates from Baijiu pit mud and identified as Bacillus coagulans based on morphological, physiological, biochemical, and 16S rRNA analyses. In sorghum juice medium, strain JN11 produced 271.6 ± 2.7 μg/L 4-EG. To investigate the upstream decarboxylation step involved in volatile phenol formation, the phenolic acid decarboxylase gene, BcPAD, was cloned and heterologously expressed in Escherichia coli BL21(DE3). The BcPAD gene comprises 504 bp and encodes a 167-amino-acid protein. Recombinant BcPAD exhibited maximal activity at pH 6.0 and 50 °C and retained more than 60% residual activity after 5 h at 30–40 °C. Fe³⁺ increased enzyme activity to 115.36% of the control, whereas Zn²⁺ markedly inhibited enzyme activity and SDS completely inactivated the enzyme. BcPAD showed the highest activity toward p-coumaric acid, with a specific activity of 460.6 ± 18.3 U/mg and a catalytic efficiency (Kcat/Km) of 12.1 ± 1.4 mM⁻¹·s⁻¹, while lower activities were observed toward caffeic acid and ferulic acid, and no activity was detected toward sinapic acid. Homology modeling and molecular docking suggested that the superior catalytic performance toward p-coumaric acid may be related to favorable hydrogen-bonding interactions and substrate orientation within the active site. Although 4-EG production was observed during fermentation by strain JN11, BcPAD was biochemically characterized as a phenolic acid decarboxylase likely responsible for the upstream formation of vinyl derivatives in the proposed pathway. These findings improve our understanding of phenolic acid decarboxylases from B. coagulans and provide a basis for further investigation of the roles of strain JN11 and BcPAD in volatile phenol formation during Baijiu production. Full article

The synthetic strategy relies on the highly diastereoselective alkylation at the C4 position of L-pyroglutamic acid derivatives, followed by a decarboxylation-allylation process that enables the incorporation of diverse substituents, including aromatic substituents, affording trans-3,5-disubstituted γ-lactams with excellent diastereiosmeric ratio (dr > 98:2). The resulting γ-lactams were efficiently transformed into a series of α,γ-disubstituted γ-amino acids through hydrogenation and acidic hydrolysis. Furthermore, cross-metathesis reactions with styrene and 1-decene enabled the introduction of structurally diverse lipophilic side chains, furnishing the corresponding γ-amino acids in good overall yields (71–77%) and high diastereoisomeric ratio from >98:2 to 92:8. In addition, N-allylation followed by ring-closing metathesis and hydrogenation provided access to a previously unexplored conformationally constrained γ-amino acid. Overall, seven α,γ-disubstituted γ-amino acids, including fluorinated and conformationally restricted derivatives, were synthesized from common intermediates with high stereocontrol. The developed methodology offers a versatile platform for the preparation of structurally diverse and underexplored γ-amino acid building blocks of potential interest in peptide synthesis, medicinal chemistry, and antimicrobial agent development. Full article

Gao-shan-hong-jing-tian (GSHJT) Oral Liquid is a phytochemical-rich preparation derived from Rhodiola, yet its anti-hypoxic active constituents and molecular mechanisms remain poorly understood. This study aimed to identify the key anti-hypoxic phytochemicals in GSHJT Oral Liquid and clarify their mechanisms of action to support its potential use in managing acute mountain sickness (AMS). We first established and validated an HPLC method for quality control, then comprehensively profiled the chemical composition using LC-MS. Network pharmacology and molecular docking were applied to predict the core anti-hypoxic components, candidate targets and signaling pathways. The primary bioactivity was further verified through an in vitro carbonic anhydrase (CA) inhibition assay. A total of 71 constituents were identified, with kaempferol and ellagic acid emerging as the primary anti-hypoxic phytochemicals. These compounds target seven core proteins (SRC, PIK3R1, ESR1, EGFR, PTK2, IGF1R, and LYN) to regulate vascular tone, inflammation, oxidative stress, blood–brain barrier integrity, and cell survival under hypoxic conditions. By modulating pathways such as HIF-1α, PI3K/AKT, FAK/PTK2, SRC, and IGF1R, these phytochemicals ultimately influence the onset and alleviation of AMS. Enzyme inhibition assays demonstrated that kaempferol and ellagic acid inhibited CA with IC₅₀ values of 34.05 μM and 119.1 μM, respectively. Molecular docking further revealed that both compounds suppressed CA activity through a combination of hydrogen bonding and hydrophobic interactions, consistent with a zinc-bound water-anchoring mechanism. This study elucidates the phytochemical basis and molecular mechanism responsible for the anti-hypoxic effects of GSHJT Oral Liquid, providing scientific support for its potential application as a natural, plant-derived intervention for preventing and alleviating acute mountain sickness, providing scientific support for its potential application and offering a reproducible paradigm for the rational development of other Rhodiola-based phytomedicines, though further in vivo validation is required to confirm the anti-hypoxic efficacy. Full article

To address hydrogen separation from hydrogen-blended natural gas, this work develops a mathematical model for a novel thermal-transpiration-effect-based circulating-flow gas separator according to the Navier–Stokes equations, following the joint modification with velocity-slip and temperature-jump boundary conditions, and a binary gas diffusion model derived from the Maxwell–Stefan equations. The model is then used to investigate the component transport and flow of a CH₄-H₂ mixture at the slip flow regime. The average hydrogen mole fraction in the component enrichment zone increases monotonically as the temperature difference increases, reaching 0.429 at a hot channel temperature of 400 K. An optimum inlet gas velocity of 0.93 m/s is identified to achieve the maximum average hydrogen mole fraction in the enrichment zone. In addition, decreasing the microchannel diameter enhances the hydrogen enrichment performance, with the average hydrogen mole fraction reaching 0.578 at a microchannel diameter of 1 μm whereas increasing the microchannel diameter improves the product gas flow rate, indicating a trade-off between separation performance and processing capacity. These insights provide guidance for understanding the component transport mechanism and for the preliminary design of this type of gas separator for hydrogen separation applications. Full article

Quinoline derivatives constitute a privileged class of nitrogen-containing heterocycles with extensive applications in medicinal chemistry, agrochemicals, materials science, and functional organic materials. Owing to their broad biological and industrial relevance, the development of efficient, selective, and sustainable synthetic methodologies for quinoline construction remains an active area of research. This review provides a comprehensive overview of recent advances in quinoline synthesis, with particular emphasis on catalytic strategies aligned with the principles of green and sustainable chemistry. Classical transformations, including the Friedländer, Skraup, and Povarov reactions, are revisited in the context of modern catalytic developments that improve reaction efficiency, substrate scope, selectivity, and environmental compatibility. Special attention is devoted to homogeneous and heterogeneous catalytic systems based on both platinum-group and earth-abundant transition metals, highlighting the growing importance of borrowing-hydrogen and acceptorless dehydrogenative coupling methodologies. Recent progress in nanocatalysis, photocatalysis, multicomponent reactions, ionic-liquid-mediated transformations, and metal-free protocols is also critically discussed. Furthermore, solvent-free processes, microwave-assisted synthesis, and recyclable catalytic systems are examined as practical approaches toward minimizing waste generation and energy consumption. Mechanistic aspects, catalytic design principles, substrate limitations, and sustainability metrics are evaluated throughout the review to provide a critical perspective on current methodologies. Collectively, the advances summarized herein demonstrate the rapid evolution of quinoline synthesis toward more atom-economical, environmentally benign, and operationally efficient processes, while also identifying future opportunities for the development of next-generation catalytic platforms for quinoline-based heterocycle construction. Full article

Rice straw is a highly produced agricultural waste with a high cellulose content, which can be used as a cellulose source. Nevertheless, more sustainable extraction and purification strategies are needed to reduce the consumption of chemicals during the production of cellulose-derived materials. In this way, an integrated method based on subcritical water extraction and bleaching with hydrogen peroxide was used for isolating cellulose from rice straw. The cellulose fibres obtained were converted into microcrystalline cellulose (MCC) by applying acid hydrolysis with HCl 2N at 60 °C to reduce the fibre amorphous fraction. High cellulose purity (86%) and crystallinity (67%) were obtained in the isolated fibres. The influence of high-shear homogenisation (12,000 rpm) during hydrolysis was analysed, compared to mild stirring (350 rpm) at different times (30 and 60 min). High-shear homogenisation greatly accelerated the hydrolysis process of the amorphous fraction of the fibres, contributing to the reduction in particle size (to about 10 µm), defibration, increased crystallinity (70–72%), and shorter cellulose chains (92,400–61,600 g/mol) for a given treatment time. After 30–60 min of treatment, the resulting MCCs exhibited properties within the range reported for commercial AVICEL, with greater reinforcing performance in PHBV films. These MCCs resulted in lower water vapour permeability, while improved oxygen barrier properties were mainly observed for those obtained under high-shear hydrolysis conditions. Full article

We propose an exploratory framework for a Bohmian model of quantum matter propagating on a classical curved spacetime background. The gravitational sector is governed by classical Einstein field equations throughout; no quantisation of spacetime is attempted. The wave function emerges as the scalar contraction $\Psi ={\psi }_{\nu }{\psi }^{\nu }\in \mathbb{C}$ of a complex-valued tensorial field ${\psi }^{\mu }$, encoding quantum dynamics in a geometric object. The wave tensor interacts with spacetime via the stress–energy tensor $T_{\mu \nu }$, mediated by a real scalar field a of dimension volume, so that $a{T}_{\mu \nu }{\psi }^{\mu }{\psi }^{\nu }$ yields the correct potential energy. We derive a covariant Adapted Schrödinger Equation as the unique minimal covariant lift of the standard equation, justify it from four guiding principles, and verify three internal consistency checks. Under seven explicit approximations the framework reproduces the Schrödinger equation with Coulomb potential for the hydrogen atom. We also derive a dynamical equation for ${\psi }^{\mu }$ that entails the Adapted Schrödinger Equation by contraction. Two open problems are then resolved. First, a complete Lagrangian formulation is provided: a real-valued action for $\Psi$ yields the Adapted Schrödinger Equation via the Euler–Lagrange equations; a separate action for ${\psi }^{\mu }$, extended by a non-polynomial term, yields the full dynamical equation variationally. Second, two experimental predictions are derived. Expanding to first post-Newtonian order, the perturbation Hamiltonian has coefficients $(3,1)$ on the kinetic and potential operators; via the virial theorem these produce a coordinate-time blueshift, which after photon propagation yields the universal Einstein gravitational redshift $\delta \nu /\nu =\Phi /c^2$, confirming consistency with the equivalence principle. The same kinetic coefficient independently predicts that free quantum wave packets spread more slowly by the fractional amount $3\left|\Phi \right|/c^2$, a correction absent in standard non-relativistic quantum mechanics. Full article

This paper addresses the current development status of a innovative direct high-pressure electrolyser (DHPEL, operating up to 700 bar) and its integration into a microgrid system in which solar energy constitutes the primary energy source and a hybrid energy storage system, comprising a battery and hydrogen, is employed. The DHPEL under development enables the direct production and storage of hydrogen at high pressures, thereby obviating the need for intermediate mechanical compression. In combination with standardized pressure vessels (300–350 bar) or the increasingly widespread use of CFRP-based high-pressure storage tanks (up to 700 bar), the DHPEL concept represents a technically and economically attractive option for microgrids with hybrid energy storage. The hybrid storage concept is based on functional differentiation between the storage media: the battery is intended to act predominantly as a buffer or short-term storage unit, and the hydrogen is designated for long-term energy storage. In principle, this configuration facilitates an autonomous energy supply relying exclusively on renewable energy sources; this is achieved by enabling the surplus solar energy generated in summer to be converted into hydrogen and subsequently utilized in winter. A rule-based energy-management algorithm is presented, prioritizing hydrogen production from surplus energy during the summer period and aiming to minimize interaction with the public electricity grid. This is particularly relevant for high-latitude regions, such as Germany, where solar irradiation is significantly lower in winter than in summer. A quasi-optimal sizing of all components in the microgrid, along with a realistic techno-economic assessment of the overall system, is performed using an energy-management model implemented in Simulink and utilised with realistic boundary conditions. A case study utilizing realistic solar generation and empirically derived electrical load profiles demonstrates the technical and economic viability of seasonal energy shifting from summer to winter (resulting in an autarky degree exceeding 1) within an economically acceptable cost range. Full article

Mucoadhesive drug delivery systems have emerged as a promising strategy to enhance the therapeutic efficacy of pharmaceuticals by improving drug residence time, bioavailability, and site-specific targeting. Among various materials investigated, biopolysaccharides have gained significant attention due to their biocompatibility, biodegradability, non-toxicity, and inherent mucoadhesive properties. Natural polymers such as chitosan, alginate, pectin, hyaluronic acid, and cellulose derivatives exhibit strong interactions with mucosal surfaces through hydrogen bonding, electrostatic interactions, and polymer chain entanglement. These properties enable prolonged drug retention at mucosal sites, controlled drug release, and enhanced permeation across biological barriers. Mucoadhesive biopolysaccharides have been explored for diverse routes of administration, including oral, buccal, nasal, ocular, vaginal, and pulmonary delivery. Furthermore, chemical modification and nanostructuring of these polymers have expanded their functionality, enabling targeted delivery of small molecules, proteins, peptides, and nucleic acids. This review highlights the mechanisms of mucoadhesion, key biopolysaccharides used in drug delivery, formulation approaches, and recent advances in their application as versatile platforms for novel therapeutic delivery systems. The continued development of mucoadhesive biopolysaccharide-based carriers holds substantial potential for improving treatment outcomes and patient compliance. Full article

The selective conversion of syngas (CO + H₂) to higher alcohols (C₂₊OH) via Fischer–Tropsch synthesis (FTS) is a strategically important but challenging process, requiring catalysts that can simultaneously sustain C–C chain growth and preserve C–O bonds in reactive intermediates. Over the past decade (2015–2025), perovskite-type complex oxides with the formula ABO₃ have emerged as powerful precatalysts for this application, with LaCoO₃ attracting particular attention due to its structural flexibility, controllable reducibility, and the unique catalytic role of the La₂O₃ phase formed upon reduction. This review systematically covers recent advances in synthesis strategies for LaCoO₃ and substituted perovskites, including sol–gel, co-precipitation, mechanochemical, and template-assisted (KIT-6, SBA-15) methods; effects of A-site (Sr) and B-site (Cu, Ga, Ni, Mn) substitution on reducibility, active phase dispersion, and product selectivity; alkali promotion and its interaction with the perovskite-derived active phase; mechanistic understanding of the alcohol-forming pathway, including the Co⁰/Co³⁺ bifunctional site concept, CO insertion mechanism, and the role of La₂O₃ in suppressing the Boudouard reaction; and catalyst stability and deactivation pathways under FTS conditions. Original data from LaCoO₃ catalysts prepared by co-precipitation with ethylene glycol (LCO-1: S_KOH = 90%, Y_KOH = 57 mg·g⁻¹·h⁻¹) and via citrate/KIT-6 template synthesis (LCO/KIT-6: Y_KOH = 80 mg·g⁻¹·h⁻¹, S_BET = 220 m²/g) at 240 °C and 2 MPa serve as the primary experimental reference throughout. Key challenges, including the surface area–selectivity trade-off, long-term stability under industrial conditions, and opportunities in CO₂ hydrogenation, are critically discussed. Full article

A predictive gate-to-gate life cycle assessment (LCA) of plasma-assisted ammonia synthesis at TRL 4 is presented according to ISO 14040/44 standards. General plasma-assisted synthesis was evaluated through a mini-review‚ sensitivity analysis‚ and predictive LCA. The specific DBD needle-to-plate configuration LCA is performed using previously published experimental data. Two distinct scenarios were investigated. In the literature-based baseline scenario derived from sensitivity analysis, electricity consumption was 533 kWh/kg NH₃, giving a carbon footprint of 26.65–639.60 kg CO₂-eq/kg NH₃; electricity contributed 98.5% of total emissions, and impacts remained about 2.05 times higher than conventional Haber–Bosch. In contrast, the experimental DBD case study required 63,450 kWh/kg NH₃, showing reactor efficiency as the dominant driver of environmental performance. The BCS (≈1.39 kWh/kg NH₃) suggests that optimized plasma systems could potentially surpass conventional ammonia synthesis in energy efficiency. The environmental performance of plasma-assisted ammonia synthesis is affected by NH₃, NO_x, N₂O, and hydrogen emissions due to impacts on climate, air quality, water systems, and biodiversity. Future improvements may come from reactor and electrode optimization, catalyst integration, alternative plasma sources, and better process and heat integration, although deployment will likely depend on major efficiency gains and may be limited to niche decentralized applications. Full article

CO₂ hydrogenation to methanol is achieved by homogeneous catalysts through a formic acid derivative. Previous studies have focused on using large amounts of additives to activate this intermediate, such as strong acids, amines and alcohols. Hydrogenation of CO₂ under basic conditions has been reported to only produce highly stable formate salts. We present in this contribution a novel method for formate activation that allows for CO₂ hydrogenation to methanol under basic conditions, by bimetallic activation of the formate salt by a cobalt and a nickel complex. From various catalytic and stoichiometric experiments, we propose that the nickel catalyst binds the in situ-generated formate to activate it for intramolecular cobalt hydride transfer, leading to an intermediate that can be further hydrogenated to methanol. This strategy could open new avenues in CO₂ hydrogenation under basic conditions, with implications for both homogeneously and heterogeneously catalyzed processes. Full article

Carbon capture, utilization, and storage (CCUS) is critical for carbon neutrality, and deep saline aquifers are promising reservoirs for CO₂ sequestration. CO₂ diffusion in brine directly affects dissolution trapping efficiency and is strongly influenced by salt ions. Molecular dynamics simulations were employed to investigate CO₂ diffusion in NaCl brines under varying concentrations (0.1–5.0 mol/L), temperatures (298–353 K), and pressures (3–40 MPa). Diffusion coefficients were derived from mean square displacement, and radial distribution functions combined with hydrogen bond analysis were used to elucidate microscopic mechanisms. Results show that as NaCl concentration increases from 0.1 to 5.0 mol/L, the diffusion coefficient decreases by ~50%, reflecting the kinetic consequence of the salting-out effect. Raising temperature from 298 to 353 K enhances diffusion by ~149%, following Arrhenius behavior, while pressure shows negligible influence below 30 MPa but causes a 15% drop at 40 MPa. RDF analysis reveals that higher salinity densifies the CO₂ hydration shell without changing its coordination number, and ions do not accumulate near CO₂. Hydrogen bond analysis indicates that slower diffusion arises primarily from increased viscosity and steric hindrance from hydrated ions rather than disruption of hydrogen bonds. These molecular-level insights can guide site selection and injection strategy optimization for CO₂ geological storage in saline aquifers. Full article