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23 pages, 5802 KB  
Article
Study on the Key Factors Controlling Natural Gas Loss at the Boundary Fault of the X1 Gas Storage Facility
by Wenjing Zhao, Guosheng Ding, Junlan Liu, Hongcheng Xu, Yunhe Su, Shujuan Xu, Lanhantian Ou, Xin Zheng, Shang Gao and You Li
Processes 2026, 14(3), 473; https://doi.org/10.3390/pr14030473 - 29 Jan 2026
Viewed by 177
Abstract
Natural gas loss directly threatens the safety and economic viability of underground gas storage (UGS) facilities. The short-term, high-rate cyclic injection and withdrawal processes may cause fault reactivation, resulting in gas loss. Current assessment techniques are mostly concerned with overall storage performance, with [...] Read more.
Natural gas loss directly threatens the safety and economic viability of underground gas storage (UGS) facilities. The short-term, high-rate cyclic injection and withdrawal processes may cause fault reactivation, resulting in gas loss. Current assessment techniques are mostly concerned with overall storage performance, with few studies focusing on fault-related leakage. This study looks at a UGS facility developed from a difficult fault-block sandstone dry gas resource in China. Focusing on one of its border faults, we develop geological and numerical models to systematically examine the impacts of well-to-fault distance, gas injection rate, and gas withdrawal rate on fault leakage. The results show that numerical simulations can accurately estimate this gas loss. The well-to-fault distance, injection rate, and withdrawal rate are highlighted as critical regulating variables. There is an ideal range for the well-to-fault distance, and altering the injection/withdrawal rates of wells within this range is an effective loss mitigation approach. The crucial distance between injection–production wells and the fault in the X1 gas storage facility is 900 m. Notably, improving the gas withdrawal rate of wells close to the fault considerably minimizes leakage. Reducing the gas injection rate from 11 × 104 m3/d to 7 × 104 m3/d reduces natural gas loss by 353 × 104 m3. Increasing the gas production rate from 9 × 104 m3/d to 29 × 104 m3/d reduces natural gas loss by 975 × 104 m3. The findings provide a scientific basis for assessing and managing natural gas loss at boundary faults in similar UGS plants. Full article
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17 pages, 2012 KB  
Article
Physiological and Subjective Measures Associated with Withdrawal from Intravenous Sedation in Dental Phobia: A Prospective Cohort Study
by Yukihiko Takemura, Yoshiharu Mukai, Toshiya Morozumi, Kyoko Arai, Ryo Wakita, Ayako Mizutani, Atsushi Matsumoto and Takuro Sanuki
J. Clin. Med. 2026, 15(2), 614; https://doi.org/10.3390/jcm15020614 - 12 Jan 2026
Viewed by 338
Abstract
Background: Patients with dental phobia frequently require intravenous sedation (IVS) to undergo dental treatment; however, some can gradually discontinue IVS through repeated clinical experiences. The physiological and psychological factors influencing successful IVS withdrawal remain unclear. This study aimed to compare physiological (sAA, HR) [...] Read more.
Background: Patients with dental phobia frequently require intravenous sedation (IVS) to undergo dental treatment; however, some can gradually discontinue IVS through repeated clinical experiences. The physiological and psychological factors influencing successful IVS withdrawal remain unclear. This study aimed to compare physiological (sAA, HR) and subjective (VAS) measures between patients who discontinued IVS and those who remained dependent on IVS. Methods: This prospective cohort study included 51 patients with dental phobia treated under IVS. Participants were classified into a Non-Sedation Group (NSG; n = 25) and a Sedation-Dependent Group (SDG; n = 26) based on their ability to discontinue IVS during the course of treatment. Salivary alpha-amylase (sAA), heart rate (HR), and visual analog scale (VAS) scores for fear, tension, and anxiety were assessed at predefined time points from the waiting room to venous cannulation. Treatment satisfaction and expectations for future treatment were also evaluated. Results: sAA activity was significantly higher in the SDG than in the NSG at T0 and T1 (p < 0.05), indicating higher levels of selected physiological measures during anticipatory phases; however, the difference at T2 was not significant. HR differed significantly only in the waiting room, whereas no between-group differences were observed in self-reported VAS scores for fear, tension, or anxiety at any time point, indicating a dissociation between physiological and subjective stress measures. Treatment satisfaction and expectations for future treatment were significantly higher in the SDG. Conclusions: Patients who remained dependent on IVS showed higher levels in selected physiological measures at the group level during anticipatory stages, whereas no corresponding differences were observed in self-reported subjective measures. These findings are exploratory and descriptive in nature and do not imply predictive or causal relationships. Full article
(This article belongs to the Section Dentistry, Oral Surgery and Oral Medicine)
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36 pages, 2500 KB  
Article
Driving Green: A Comprehensive Sustainability Analysis of Natural Gas-to-Methanol and Methanol-to-Gasoline Supply Chains
by Hussein Al-Yafei, Saleh Aseel, Ahmed AlNouss, Mohannad AlJarrah, Nagi Abdussamie, Ahmad Al-Kuwari, Alaa Kerret, Noman Abdul Ghafoor, Muhammad Rizki Winarno, Aisha Al-Bader, Talal Al Tamimi and Suhaila Sabbah
Sustainability 2026, 18(1), 527; https://doi.org/10.3390/su18010527 - 5 Jan 2026
Viewed by 491
Abstract
This study presents an integrated Life Cycle Sustainability Assessment (LCSA) of the Natural gas-to-methanol (NGTM) and methanol-to-gasoline (MTG) pathways using Aspen HYSYS process modeling, Environmental Life Cycle Assessment (LCA), Social Life Cycle Assessment (SLCA), and Life Cycle Costing (LCC). The results reveal significant [...] Read more.
This study presents an integrated Life Cycle Sustainability Assessment (LCSA) of the Natural gas-to-methanol (NGTM) and methanol-to-gasoline (MTG) pathways using Aspen HYSYS process modeling, Environmental Life Cycle Assessment (LCA), Social Life Cycle Assessment (SLCA), and Life Cycle Costing (LCC). The results reveal significant variability in sustainability performance across process units. The DME and MTG Reactors Section generates the highest direct greenhouse gas (GHG) emissions at 0.86 million tons CO2-eq, representing 54.9% of total global warming potential, while the Compression Section consumes 2717.5 TJ/year of energy, making it the dominant source of electricity-related indirect emissions. Distillation and Purification withdraws 31,100 Mm3/year of water—approximately 99% of total demand—yet delivers 86.6% of the overall economic surplus despite high operating costs. Social impacts concentrate in the Methanol Reactor Looping and DME and MTG Reactors Sections, with human health burdens of 305.79 and 804.22 DALYs, respectively, due to catalyst handling and high-pressure operations. Sensitivity results show that methanol purity rises from 0.9993 to 0.9994 with increasing methane content, while gasoline output decreases from 3780 to 3520 kg/h as natural gas flow increases. The findings provide process-level evidence to support sustainable development of natural gas-based fuel conversion industries, aligning with Qatar National Vision 2030 objectives for industrial diversification and lower-carbon energy systems. Full article
(This article belongs to the Section Energy Sustainability)
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37 pages, 431 KB  
Review
Underground Coal Gasification Technology: A Review of Advantages, Challenges, and Economics
by Yancheng Liu, Yan Li, Jihui Jiang, Feng Liu and Yang Liu
Energies 2026, 19(1), 199; https://doi.org/10.3390/en19010199 - 30 Dec 2025
Viewed by 379
Abstract
Against the background of global energy transformation and low-carbon development, numerous difficult-to-mine coal resources (e.g., deep, thin coal seams and low-quality coal) remain underdeveloped, leading to potential resource waste. This study systematically summarizes the feasibility of developing these resources via underground coal gasification [...] Read more.
Against the background of global energy transformation and low-carbon development, numerous difficult-to-mine coal resources (e.g., deep, thin coal seams and low-quality coal) remain underdeveloped, leading to potential resource waste. This study systematically summarizes the feasibility of developing these resources via underground coal gasification (UCG) technology, clarifies its basic chemical/physical processes and typical gas supply/gas withdrawal arrangements, and establishes an analytical framework covering resource utilization, gas production quality control, environmental impact, and cost efficiency. Comparative evaluations are conducted among UCG, surface coal gasification (SCG), natural gas conversion, and electrolysis-based hydrogen production. Results show that UCG exhibits significant advantages: wide resource adaptability (recovering over 60% of difficult-to-mine coal resources), better environmental performance than traditional coal mining and SCG (e.g., less surface disturbance, 50% solid waste reduction), and obvious economic benefits (total capital investment without CCS is 65–82% of SCG, and hydrogen production cost ranges from 0.1 to 0.14 USD/m3, significantly lower than SCG’s 0.23–0.27 USD/m3). However, UCG faces challenges, including environmental risks (groundwater pollution by heavy metals, syngas leakage), geological risks (ground subsidence, rock mass strength reduction), and technical bottlenecks (difficult ignition control, unstable large-scale production). Combined with carbon capture and storage (CCS) technology, UCG can reduce carbon emissions, but CCS only mitigates carbon impact rather than reversing it. UCG provides a large-scale, stable, and economical path for the efficient clean development of difficult-to-mine coal resources, contributing to global energy structure transformation and low-carbon development. Full article
12 pages, 245 KB  
Article
Catholic Idiom and the Dialectic of Reading: A Meditation on Joris-Karl Huysmans’s Novel À rebours
by Gábor L. Ambrus
Religions 2026, 17(1), 40; https://doi.org/10.3390/rel17010040 - 30 Dec 2025
Viewed by 231
Abstract
Huysmans’s novel À rebours can be seen as an epitome of the dialectic implied by the term peccata lectionis: reading can only come into its own through certain ‘sins’ inherent to it while possibly compromising it. Such ‘sins’ are involved in the decision [...] Read more.
Huysmans’s novel À rebours can be seen as an epitome of the dialectic implied by the term peccata lectionis: reading can only come into its own through certain ‘sins’ inherent to it while possibly compromising it. Such ‘sins’ are involved in the decision of the novel’s single protagonist and anti-hero, Des Esseintes, to withdraw into the solitude of his country house to live a life dedicated to aesthetic and intellectual pleasure. While celebrating his own eccentric fancies and artificiality of taste, the protagonist’s days of decadence, in their very antagonism towards both society and nature, are spent pursuing what can be called ‘reading of culture’. As ‘the reading of culture’ and its dialectics in the novel extend to and draw upon a wealth of references to the Catholic cultural tradition, the latter leads to a textual logic and a particular kind of lectio. It is in keeping with the novel being widely regarded as a harbinger of the ‘Catholic turn’ in its author’s career, Des Esseintes, at one point of the narrative, comes to explore the so-called ‘Catholic idiom’. Whereas his critique is aimed at 19th century Catholic writers in France and their indebtedness to the definitive rhetoric of the French Grand Siècle, the ‘Catholic idiom’, its particular textuality and the ‘reading of culture’ that is manifest in it may lie elsewhere in Huysmans’s novel itself. These likely reside in the textual logic of catalogues or ‘compendia’, that is, the listing of names within a category, which evokes mediaeval textual practices. The catalogue or ‘compendium’ as a genre within Huysmans’s novel fulfils the artificiality and vigour of the protagonist’s ‘reading of culture’—and the whole dialectic of the peccata lectionis. Full article
(This article belongs to the Special Issue Peccata Lectionis)
9 pages, 697 KB  
Article
Medication Reconciliation in the Surgical Setting: A Cross-Sectional Study in Polymedicated Patients
by Mercedes Jiménez-Heredia, Vlada Zabrodotska-Maksymyuk, Carmen Carrión-Carrión, María Galiana-Sastre, Joaquin Ortega Serrano and Diego Cano-Blanquer
J. Clin. Med. 2026, 15(1), 270; https://doi.org/10.3390/jcm15010270 - 29 Dec 2025
Viewed by 227
Abstract
Objectives: This study aimed to assess the incidence, nature, and clinical relevance of medication discrepancies identified during the perioperative period in polymedicated surgical patients, and to examine factors associated with the occurrence of real discrepancies. Methods: A cross-sectional study was conducted [...] Read more.
Objectives: This study aimed to assess the incidence, nature, and clinical relevance of medication discrepancies identified during the perioperative period in polymedicated surgical patients, and to examine factors associated with the occurrence of real discrepancies. Methods: A cross-sectional study was conducted in scheduled surgical patients admitted to the General Surgery department of a tertiary-care hospital. Eligible adults were required to be taking ≥4 chronic medications, have restored oral tolerance, and remain hospitalized for more than 48 h. Medication reconciliation was performed using hospital and primary care electronic records, complemented by a structured patient interview. Discrepancies were classified as justified or real according to SEFH criteria. Statistical analysis included descriptive methods, normality testing, correlation analyses, and generalized linear models. Results: Out of 270 assessed patients, 43 met inclusion criteria. A total of 282 medications were analyzed, with 243 (86%) showing discrepancies. 44% were real discrepancies, primarily due to unjustified omission. The average number of real discrepancies per patient was 5.7 (95% CI: 4.8–6.5). Cardiovascular (35.2%) and nervous system drugs (23.2%) were most affected. Real discrepancies with potential clinical severity accounted for 36.8%, including cases of asthma exacerbation, withdrawal syndromes, insomnia, and hypertensive crises. In 73% of pre-anesthesia reports, no specific recommendations regarding chronic medication management were provided. Conclusions: Medication reconciliation revealed frequent and clinically relevant discrepancies in this high-risk cohort of polymedicated surgical patients. Larger, more representative studies are needed to confirm these findings and to inform broader perioperative safety strategies. Full article
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21 pages, 708 KB  
Article
Bridging the Resilience Gap: How Ukraine’s Gas Network and UGS De-Risk Europe’s Sustainable Transition Beyond 2025
by Sérgio Lousada, Dainora Jankauskienė, Vivita Pukite, Oksana Zubaka, Liudmyla Roman and Svitlana Delehan
Sustainability 2026, 18(1), 136; https://doi.org/10.3390/su18010136 - 22 Dec 2025
Viewed by 364
Abstract
Europe’s energy transition beyond 2025 faces a resilience gap as reconfigured pipeline flows, stricter methane rules, and rising variable renewables increase the need for seasonal flexibility and system adequacy. This study examines how Ukraine’s gas transmission network and underground gas storage—among the largest [...] Read more.
Europe’s energy transition beyond 2025 faces a resilience gap as reconfigured pipeline flows, stricter methane rules, and rising variable renewables increase the need for seasonal flexibility and system adequacy. This study examines how Ukraine’s gas transmission network and underground gas storage—among the largest in Europe—can serve as a “seasonal battery” for the EU. We integrate a policy and market review with quantitative scenarios for 2026–2030. Methods include security-of-supply indicators (the rule that the system must keep operating even if its largest single infrastructure element fails, peak-day coverage, and winter adequacy), estimates of market-accessible storage volumes and withdrawal rates for European market participants, and a techno-economic screening of hydrogen-readiness comparing repurposing with new-build options. Methane intensity constraints and compliance with monitoring, reporting, and verification and leak detection and repair requirements are applied. The results indicate that reallocating part of Europe’s seasonal balancing to Ukrainian underground gas storage can enhance resilience to extreme winter demand and liquefied natural gas price shocks, reduce price volatility and the curtailment of variable renewables, and enable phased, cost-effective hydrogen corridors via repurposable pipelines and compressors. We outline a policy roadmap specifying transparent access rules, interoperable gas quality and methane standards, and risk mitigation instruments needed to operationalise cross-border storage and hydrogen-ready investments without carbon lock-in. Full article
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23 pages, 1107 KB  
Article
Intergenerational Fairness and Ageing Styles in Europe: A Life-Course Approach
by Guido Giarelli
Soc. Sci. 2026, 15(1), 2; https://doi.org/10.3390/socsci15010002 - 19 Dec 2025
Viewed by 531
Abstract
Demographic trends over the last decades and future projections clearly indicate a steady increase in the proportion of older adults (65+) relative to both the working-age (15–64) and child populations (0–15) across Europe. This demographic shift—driven by rising life expectancy and declining fertility—raises [...] Read more.
Demographic trends over the last decades and future projections clearly indicate a steady increase in the proportion of older adults (65+) relative to both the working-age (15–64) and child populations (0–15) across Europe. This demographic shift—driven by rising life expectancy and declining fertility—raises pressing challenges for intergenerational equity and questions the sustainability of the implicit formal and informal “social contract” that links generations through the distribution of rights, responsibilities, and resources. In particular, the two fundamental pillars of European post-industrial societies, namely an extensive welfare state and a liberal–democratic institutional framework, appear to be at risk. To address this issue, the notion of “intergenerational fairness”, recently adopted by social policies in both USA and Europe, appears flexible and fundamentally ambiguous. As a substantial variant of neoliberal austerity policies, it is simply used as a justification for further austerity measures, the withdrawal of entitlements to social and economic rights by citizens and the dismantling of welfare states. A second meaning of “intergenerational fairness” is possible starting from the concept of ambivalence used to describe the mix of conflict and solidarity that characterizes intergenerational relations in contemporary post-industrial societies. In this respect, the two concepts of “successful ageing” and “active ageing”, often considered as overlapping, actually involve very different perspectives: successful ageing adopts a substantially reductionist, individualistic, and static approach to the process of ageing, whereas active ageing is a more comprehensive and dynamic strategy that seeks to overcome all these limitations by a life-course perspective. This recognizes that a person’s path to old age is not predetermined but depends primarily on earlier life experiences and their influence: the ageing process affects people of all ages, not just the elderly. And since the subjectivization of ageing in contemporary societies has challenged the conventional notion of “natural life stages”, the new theoretical concept advanced in the article of “ageing styles” becomes central to understanding the ageing process today. Ageing styles are the outcome of the interplay between the objective and subjective dimensions of the life course, represented, respectively, by life chances (social structure) and life choices (agency). A theoretical framework is proposed for analyzing ageing styles that can be used from a life-course perspective to highlight their complex and dynamic nature. An evidence-based European political strategy aimed at promoting active ageing from a perspective of intergenerational fairness, based on the eight principles indicated, can be flexible enough to ensure that everyone can adopt their preferred ageing style without top-down imposition and contribute to the maintenance of the intergenerational social contract. Full article
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12 pages, 691 KB  
Article
Ethical and Legal Aspects of Informed Consent and Assent in Paediatric Dentistry: A Cross-Sectional Study
by Maria Josefa Ferro de Farisato-Touceda, Laura Marqués-Martínez, Esther García-Miralles, Juan Ignacio Aura-Tormos and Clara Guinot Barona
Children 2025, 12(12), 1711; https://doi.org/10.3390/children12121711 - 18 Dec 2025
Cited by 1 | Viewed by 452
Abstract
Background: Informed consent and assent are fundamental ethical and legal requirements in paediatric healthcare, yet their application in paediatric dentistry is complex and underexplored in clinical practice. Objective: This study aimed to analyse the implementation of informed consent and assent processes in paediatric [...] Read more.
Background: Informed consent and assent are fundamental ethical and legal requirements in paediatric healthcare, yet their application in paediatric dentistry is complex and underexplored in clinical practice. Objective: This study aimed to analyse the implementation of informed consent and assent processes in paediatric dental care within a Spanish population, identifying key characteristics and factors that influence communication, understanding, and decision-making. Methods: An observational, descriptive, cross-sectional study was conducted in Spanish Paediatric Dentistry Clinics (January–June 2023). Participants included 520 child-caregiver pairs and 52 dental students. Data were collected via a semi-structured observational protocol and interviews, assessing information provided, decision-making conditions, and influencing factors. Statistical analysis was performed using SPSS v23.0, employing Chi-square, Cochran’s Q, and Kendall’s W tests. Results: The information most frequently provided was the nature of the dental problem (92%), treatment details (88%), and benefits (85%). Information on risks (64%), alternatives (37%), and the right to withdraw consent (41%) was less consistently communicated. After multivariable adjustment, child schooling remained independently associated with the disclosure of risks and alternatives (p < 0.01), whereas caregiver education showed no independent effect. Kendall’s concordance coefficient showed moderate agreement (W = 0.62, 95% CI: 0.54–0.69, p < 0.01) among operators, caregivers, and patients, which decreased in adolescents aged 16–18 years (W = 0.41, 95% CI: 0.28–0.55, p = 0.07). Conclusions: The processes of informed consent and assent in paediatric dentistry are more strongly linked to the child’s cognitive maturity and schooling than to parental education. While communication of treatment benefits is adequate, critical aspects like risks and alternatives are often overlooked. The findings underscore the need for standardized protocols and enhanced bioethical training to ensure consistent, ethical, and participatory practices that respect the progressive autonomy of minors. Full article
(This article belongs to the Section Pediatric Dentistry & Oral Medicine)
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47 pages, 1066 KB  
Review
Cancer Reversion Therapy: Prospects, Progress and Future Directions
by Emmanuel O. Oisakede, David B. Olawade, Oluwakemi Jumoke Bello, Claret Chinenyenwa Analikwu, Eghosasere Egbon, Oluwaseun Fapohunda and Stergios Boussios
Curr. Issues Mol. Biol. 2025, 47(12), 1049; https://doi.org/10.3390/cimb47121049 - 15 Dec 2025
Cited by 1 | Viewed by 1004
Abstract
Cancer reversion therapy represents a paradigm shift in oncology, focusing on reprogramming malignant cells to a non-malignant state rather than destroying them. This narrative review synthesizes current evidence, emerging technologies, and future directions in this promising field. Cancer reversion is founded on key [...] Read more.
Cancer reversion therapy represents a paradigm shift in oncology, focusing on reprogramming malignant cells to a non-malignant state rather than destroying them. This narrative review synthesizes current evidence, emerging technologies, and future directions in this promising field. Cancer reversion is founded on key biological observations: somatic cell reprogramming, spontaneous cancer regression, and microenvironmental influences on malignant behavior. Current approaches include epigenetic reprogramming using HDAC inhibitors and DNA methyltransferase inhibitors; microenvironmental modulation through extracellular matrix manipulation and vascular normalization; differentiation therapy exemplified by all-trans retinoic acid in acute promyelocytic leukemia; and targeting oncogene addiction as demonstrated in BCR-ABL-driven leukemias. Emerging technologies accelerating progress include single-cell analyses that reveal cancer heterogeneity and cellular state transitions; CRISPR-based approaches enabling precise genetic and epigenetic manipulation; patient-derived organoids that model tumor complexity; and artificial intelligence applications that identify novel reversion-inducing agents. Critical evaluation reveals that many reported “reversion” phenomena represent stimulus-dependent plasticity or transient growth arrest rather than stable phenotypic normalization. True cancer reversion requires durable, heritable phenotypic changes that persist after treatment withdrawal, with evidence of epigenetic consolidation and functional restoration. Despite promising advances, significant challenges remain: cancer cell plasticity facilitating therapeutic escape, difficulties in establishing stable reversion states, delivery challenges for solid tumors, and the need for combination approaches to address tumor heterogeneity. Future directions include integrated multi-omics analyses to comprehensively map cellular state transitions, studies of natural regression phenomena to identify reversion mechanisms, advanced nanodelivery systems for targeted therapy, and synthetic biology approaches creating intelligent therapeutic systems. By redirecting rather than destroying cancer cells, reversion therapy offers the potential for reduced toxicity and resistance, potentially transforming cancer from a deadly disease to a manageable condition. Full article
(This article belongs to the Section Molecular Medicine)
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10 pages, 528 KB  
Entry
Adult Learner Dropout in Online Education in the Post-Pandemic Era
by Ji-Hye Park and Hee Jun Choi
Encyclopedia 2025, 5(4), 214; https://doi.org/10.3390/encyclopedia5040214 - 12 Dec 2025
Viewed by 783
Definition
Adult learner dropout is adults’ withdrawal or stop-out from formal or non-formal educational programs before successful completion. For adult learners, withdrawal often manifests as stop-out or temporary disengagement rather than permanent attrition, reflecting the episodic nature of their participation. Unlike traditional students, adult [...] Read more.
Adult learner dropout is adults’ withdrawal or stop-out from formal or non-formal educational programs before successful completion. For adult learners, withdrawal often manifests as stop-out or temporary disengagement rather than permanent attrition, reflecting the episodic nature of their participation. Unlike traditional students, adult learners must often balance multiple life responsibilities—employment, caregiving, financial obligations, and community roles—while also pursuing education or training. Their vulnerability to attrition is further exacerbated by these overlapping demands, particularly when educational programs do not accommodate their situational and motivational needs. Adult learner dropout therefore requires a more dynamic understanding of persistence as a continuous negotiation between internal and external demands. Participation in online education has significantly expanded over the past two decades, particularly during and after the COVID-19 pandemic, as adult learners increasingly engage with digital platforms for work and communication. This exposure has enhanced their digital fluency, transforming their expectations and experiences of online learning. Thus, the underlying factors that influence adult learner dropout have also shifted—moving beyond technological and access-related barriers to instructional quality, engagement design, and relevance issues. In this evolving landscape, adult learner dropout can no longer be regarded as isolated or individual events. It is a systemic phenomenon emerging from dynamic interactions among psychological, pedagogical, contextual, and institutional factors. Full article
(This article belongs to the Collection Encyclopedia of Social Sciences)
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11 pages, 2591 KB  
Article
Synthesis of Novel Anion Recognition Molecules as Quinazoline Precursors
by Gábor Krajsovszky, László Piros, Dóra Bogdán, Eszter Kalydi, Tamás Gáti, Pál Szabó, Péter Horváth and István M. Mándity
Int. J. Mol. Sci. 2025, 26(24), 11975; https://doi.org/10.3390/ijms262411975 - 12 Dec 2025
Viewed by 446
Abstract
Thiourea and structurally related urea derivatives are widely recognised for their ability to transport anions through hydrogen bonding interactions. The strength of these interactions correlates with the electronegativity of the ligand and the acidity of the NH hydrogens involved. Thiourea, being more acidic [...] Read more.
Thiourea and structurally related urea derivatives are widely recognised for their ability to transport anions through hydrogen bonding interactions. The strength of these interactions correlates with the electronegativity of the ligand and the acidity of the NH hydrogens involved. Thiourea, being more acidic than urea, exhibits partial deprotonation in the presence of certain anions such as organic carboxylates, fluoride, and bromide, while remaining resistant to deprotonation by chloride. This behaviour suggests a degree of selectivity toward chloride ions. Additionally, while carbamide-containing molecules tend to aggregate—potentially reducing their ion-binding efficiency—thiourea derivatives show reduced aggregation, preserving their binding capabilities. In this study, we report the synthesis and characterisation of 21 novel thiourea derivatives obtained by reacting 2-aminobenzoylamino acid esters with various substituted phenyl isothiocyanates. Seven similar thiourea-containing molecules were made as a comparison—without the amino acids—by reacting aniline with the different phenyl isothiocyanates. The reaction kinetics were found to be influenced primarily by the electronic nature of the substituents on the phenyl ring. Electron-withdrawing groups (EWGs), such as para-nitro, 3,5-bis(trifluoromethyl), and fluorine, accelerated the reaction, while electron-donating groups (EDGs), such as para-methoxy, slowed it down. Interestingly, the nature of the amino acid precursors had no significant impact on reaction time; however, reactions with aniline proceeded the fastest. Solvent choice also played a role: reactions in N,N-dimethylformamide (DMF) proceeded faster than in acetone, although with reduced yields. Consequently, reaction conditions were optimised to balance time efficiency and product yield. To evaluate the chloride ion-binding properties of the synthesised compounds, 1H NMR titration experiments were conducted in deuterated dimethyl sulfoxide (DMSO-d6). The association constants (Ka) derived from these studies revealed a clear correlation with the electronic nature of the substituents. Compounds bearing EWGs exhibited enhanced chloride binding, while those with EDGs showed diminished binding affinity. Surprisingly, the presence of amino acid moieties led to a decrease in Ka values, despite the electron-withdrawing nature of the amide groups. This suggests that steric or conformational factors may play a role in modulating binding strength. Overall, the synthesised thiourea derivatives demonstrate mild, reversible chloride ion-binding behaviour, making them promising candidates for further development as selective anion receptors. The insights gained from this study contribute to a deeper understanding of structure–activity relationships in anion-binding systems and may inform the design of future supramolecular architectures with tailored ion recognition properties. Full article
(This article belongs to the Special Issue Techniques and Strategies in Drug Design and Discovery, 3rd Edition)
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25 pages, 5230 KB  
Article
Climate Change and Groundwater Sustainability in the Berrechid Aquifer (Morocco): Projections to 2050 Under Regulated Abstraction Scenario
by Adil Zerouali, Mohamed Jalal El Hamidi, Abdelkader Larabi, Mohamed Faouzi and Omar Chafik
Water 2025, 17(24), 3488; https://doi.org/10.3390/w17243488 - 10 Dec 2025
Viewed by 699
Abstract
The Berrechid aquifer, located in the Berrechid region of Morocco, represents one of the main groundwater resources used for drinking water supply, irrigation, and industrial activities. It also plays a vital role in supporting domestic and agricultural needs. However, the aquifer faces major [...] Read more.
The Berrechid aquifer, located in the Berrechid region of Morocco, represents one of the main groundwater resources used for drinking water supply, irrigation, and industrial activities. It also plays a vital role in supporting domestic and agricultural needs. However, the aquifer faces major challenges, including overexploitation, water quality degradation, and seawater intrusion. This study examines the impacts of climate change on the Berrechid aquifer and evaluates the most appropriate groundwater-withdrawal management strategies to ensure sustainable use of the resource and maintain aquifer stability. To investigate this, we employed the Groundwater Modeling System (GMS) software to conduct both steady-state and transient simulations. Climate change impacts were incorporated through projections of natural recharge derived from climate models. Following calibration, the model provided projections of aquifer behavior up to 2050 under optimistic scenarios. The results offer valuable insights into the evolution of the Berrechid aquifer under climate change. They highlight the potential impacts on recharge rates and groundwater availability. Such information is crucial for guiding decision-making and developing sustainable strategies for managing this essential resource in the face of future climatic uncertainties. Full article
(This article belongs to the Special Issue Advance in Groundwater in Arid Areas)
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24 pages, 2468 KB  
Article
Zwitterionic Pathway in the Diels–Alder Reaction: Solvent and Substituent Effects from ωB97XD/6-311G(d) Calculations
by Agnieszka Łapczuk
Molecules 2025, 30(24), 4710; https://doi.org/10.3390/molecules30244710 - 9 Dec 2025
Cited by 1 | Viewed by 516
Abstract
We investigated the Diels-Alder cycloaddition of methylcyclopentadiene with conjugated nitroalkenes and examined the influence of solvent polarity and substituent effects on the reaction mechanism. In nonpolar media (toluene), pathways A and C proceed via a pre-reactive molecular complex (MC), two transition states, and [...] Read more.
We investigated the Diels-Alder cycloaddition of methylcyclopentadiene with conjugated nitroalkenes and examined the influence of solvent polarity and substituent effects on the reaction mechanism. In nonpolar media (toluene), pathways A and C proceed via a pre-reactive molecular complex (MC), two transition states, and a heterocyclic intermediate, whereas pathways B and D follow a single-transition-state route directly to the norbornene product. Moderate increases in solvent polarity (acetone) do not qualitatively alter the energy profiles or mechanistic patterns, whereas highly polar solvents (methanol, acetonitrile, water, nitromethane) induce a fundamental transformation in pathway B, which adopts a stepwise, zwitterionic mechanism. NPA, MEP, and NCI analyses confirm the polar, charge-separated nature of the zwitterionic intermediate, while BET analysis elucidates the sequential electronic reorganization, highlighting early polarization toward the nitro fragment and stepwise formation of the C-C bonds. Substituent effect studies using Hammett σ parameters reveal that electron-withdrawing groups lower activation barriers, whereas electron-donating groups increase them, indicating that electronic effects dominate over steric factors. Overall, the study demonstrates a general, solvent- and substituent-dependent Diels-Alder mechanism, with pathway B proceeding through a polar, highly asynchronous, stepwise route involving a zwitterionic intermediate. Full article
(This article belongs to the Special Issue Methods and Applications of Cycloaddition Reactions)
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18 pages, 285 KB  
Review
Manual Therapy as Endogenous Opioid Modulator: A Theoretical Framework for Addiction Recovery Research
by Hyunjoong Kim
Psychiatry Int. 2025, 6(4), 154; https://doi.org/10.3390/psychiatryint6040154 - 8 Dec 2025
Viewed by 891
Abstract
The global opioid crisis necessitates innovative non-pharmacological interventions for pain management and addiction recovery. This comprehensive narrative review synthesizes evidence from approximately 75 studies supporting manual therapy’s modulation of endogenous opioid systems and explores potential applications in addiction treatment. Manual therapy interventions, including [...] Read more.
The global opioid crisis necessitates innovative non-pharmacological interventions for pain management and addiction recovery. This comprehensive narrative review synthesizes evidence from approximately 75 studies supporting manual therapy’s modulation of endogenous opioid systems and explores potential applications in addiction treatment. Manual therapy interventions, including massage and joint manipulation, demonstrate significant neurochemical effects, with controlled studies showing 16% increases in plasma β-endorphin levels (p = 0.025) persisting approximately one hour following treatment. These effects appear mediated through periaqueductal gray-rostral ventromedial medulla descending pathways, with naloxone reversibility studies confirming opioid-mediated mechanisms. The endogenous opioid system undergoes profound dysregulation during addiction, creating therapeutic opportunities for interventions capable of stimulating natural opioid release without exogenous substances. Clinical applications in addiction recovery may include withdrawal symptom management, craving reduction, and restoration of dysregulated reward pathways. Manual therapy’s demonstrated safety profile, accessibility, and compatibility with existing treatment modalities position it as an ideal complementary intervention for comprehensive addiction programs. However, significant methodological limitations in existing studies necessitate cautious interpretation. Rigorous randomized controlled trials specifically examining manual therapy’s effects in addiction recovery populations represent the highest research priority. Manual therapy as an endogenous opioid modulator represents a promising frontier in addiction medicine but warrants rigorous scientific investigation before potential clinical integration into evidence-based treatment protocols. Full article
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