Category: Nevin Manimala

Spectrochim Acta A Mol Biomol Spectrosc. 2026 May 12;360:128062. doi: 10.1016/j.saa.2026.128062. Online ahead of print.

ABSTRACT

A novel meta-substituted azo compound, (E)-1-((3-methoxyphenyl)diazenyl)naphthalen-2-ol (m-AZO), was synthesized via diazotization-coupling reaction in 90% yield. The molecular structure was unambiguously determined by single-crystal X-ray diffraction, revealing a monoclinic crystal system (space group P2₁/c) with the azo group in a trans configuration. Experimental characterization was carried out using FT-IR, UV-Vis, and ¹H/¹³C NMR spectroscopy, along with elemental (CHN) analysis. The UV-Vis spectrum showed an absorption maximum at 483 nm, consistent with π-π* electronic transitions. DFT and TD-DFT calculations reproduced the experimental absorption spectrum and provided further insights into the electronic structure. Theoretical analysis of the three positional isomers (o-, m-, and p-AZO) indicated that m-AZO possesses the lowest reorganization energy for holes (λ_hole = 0.13 eV), while p-AZO exhibited the highest light harvesting efficiency (LHE = 81.05%). Photovoltaic simulations based on the Scharber model predicted a power conversion efficiency of 6.5% for the m-AZO/PC71BM heterojunction. These findings demonstrate that m-AZO combines favorable experimental properties with promising optoelectronic behavior, establishing it as a strong donor candidate for organic photovoltaic applications.

PMID:42143482 | DOI:10.1016/j.saa.2026.128062

Spectrochim Acta A Mol Biomol Spectrosc. 2026 May 14;360:128057. doi: 10.1016/j.saa.2026.128057. Online ahead of print.

ABSTRACT

Rapid and accurate identification of molybdenite is critical for optimizing beneficiation processes but remains challenging due to complex gangue interference and environmental noise. This study proposes an intelligent identification framework based on VNIR-SWIR spectroscopy that integrates novel chemometric algorithms with multi-feature fusion. To address spectral coupling mechanisms, we introduce the Multi-scale Band-coupled Interquartile Range (MC-IQR) algorithm, a preprocessing technique that combines adaptive sliding-window filtering to robustly extract overlapping spectral features. Unlike conventional single-feature methods, our approach employs a dynamically weighted fusion model incorporating Euclidean Distance, Cosine Similarity, and Spectral Information Divergence (SID). This strategy synergistically optimizes multidimensional spectral information-spanning amplitude, geometric shape, and probability distribution-to ensure adaptability in complex mining environments. Statistical validation on an independent test set reveals an Overall Accuracy of 97.8% across all target mineral categories, with an ultra-fast processing speed of <10 ms per sample. An ablation study further confirmed that the full ED-CS-SID fusion configuration outperformed all single-feature and dual-feature variants. Furthermore, blind field tests on jaw-crushed raw ore samples provide additional practical evidence for the model’s robustness to surface dust and mixed-mineral interference under field conditions. These results support the potential of the proposed method as a non-destructive and real-time tool for intelligent mineral sorting in complex mining environments.

PMID:42143478 | DOI:10.1016/j.saa.2026.128057

Ecotoxicol Environ Saf. 2026 May 16;318:120271. doi: 10.1016/j.ecoenv.2026.120271. Online ahead of print.

ABSTRACT

Groundwater is a vital resource for ensuring ecosystem balance, urban water quality, and economic development. In this study, an integrated framework was applied to investigate groundwater hydrochemistry, identify its sources, evaluate the water quality, and assess the health risks associated with groundwater chemistry in the southern region of Jinan City (SRJC). The analysis combined mathematical statistics, positive matrix factorization (PMF), and Monte Carlo simulations (MCs). The mean total dissolved solids, total hardness, and pH were 551 mg/L, 412 mg/L, and 7.63, respectively, which confirmed the main property of weakly alkaline hard fresh water. The Ca²⁺ and HCO₃^– ions played the dominant roles, and the Piper diagram presented that HCO₃-Ca was the primary hydrochemical facies. The groundwater hydrochemistry in the SRJC was found to be governed by both natural processes, particularly hydro-rock interactions, and anthropogenic inputs, mainly agricultural activities and wastewater discharge. PMF resolved five major sources, among which carbonate weathering (39.5%) and wastewater/fertilizer inputs (20.1%) were dominant. Most groundwater samples were suitable for both domestic drinking and agricultural irrigation. Compared with simplified models and 1D-MCs, 2D-MCs provided a more robust risk assessment and revealed the possibility of risk underestimation by conventional approaches. The 2D-MCs-based non-carcinogenic risk assessment further showed a markedly higher risk for children (10.7%) than for adults (3.9%).

PMID:42143474 | DOI:10.1016/j.ecoenv.2026.120271

Hum Immunol. 2026 May 16;87(7):111761. doi: 10.1016/j.humimm.2026.111761. Online ahead of print.

ABSTRACT

BACKGROUND: Type 2 inflammatory diseases (T2IDs) often coexist, but their shared genetic basis remains unclear. This study explores common genetic basis between asthma and other T2IDs and identifies pleiotropic loci and mechanisms.

METHODS: Using genome-wide association study (GWAS) summary statistics, we assessed genetic correlation between asthma and four T2IDs (allergic conjunctivitis [AC], allergic rhinitis [AR], pollen allergy [PA], atopic dermatitis [AD]) via cross-trait pleiotropy analysis, followed by functional, tissue-specificity, and multi-trait colocalization analyses.

RESULTS: Significant genetic correlations were detected in all four trait pairs. Pleiotropy analysis under the composite null hypothesis (PLACO) identified 21 pleiotropic loci, with 2 colocalized (PP.H4 > 0.75). Notable pleiotropic loci were identified, such as 4q24 (MANBA, UBE2D3, and CISD2) and 19q13.2 (SNRPA, RAB4B, MIA-RAB4B, and EGLN). MAGMA revealed 49 candidate pleiotropic genes involved in synaptic structure/function and cellular organization. Tissue enrichment analysis, stratified LD score regression (S-LDSC), and summary data-based Mendelian randomization (SMR) analysis revealed that pleiotropic mechanisms play significant roles in the brain, spleen, whole blood, and EBV-transformed lymphocytes. Hyprcoloc implicated distinct lymphocyte subtypes in shared mechanisms between asthma and AD.

CONCLUSIONS: We identified shared genetic loci and gene sets between asthma and T2IDs, offering insights into genetic mechanisms and potential therapeutic targets.

PMID:42143449 | DOI:10.1016/j.humimm.2026.111761

Eur J Oncol Nurs. 2026 May 11;82:103204. doi: 10.1016/j.ejon.2026.103204. Online ahead of print.

ABSTRACT

BACKGROUND AND AIM: Cancer patients frequently experience both physical pain and emotional distress, often intensified by exposure to past traumatic events. These psychological and physiological burdens can adversely affect treatment outcomes and quality of life. This study aimed to examine the relationship between past trauma, emotional well-being, and pain among cancer patients undergoing chemotherapy across Iraq.

METHOD: This cross-sectional study was conducted from September 1st, 2024, to February 13th, 2025, across four major hospitals in Iraq, using convenience sampling. Data were collected using three standardized instruments: the Trauma History Questionnaire (THQ), the Pain Assessment Numerical Rating Scale (NRS), and the Hospital Anxiety and Depression Scale (HADS), along with a sociodemographic form. Statistical analyses were performed using SPSS version 26.0 and PROCESS Macro version 4.2. Descriptive statistics, Pearson’s correlation, multivariable and hierarchical regression, and mediation analysis with 5000 bootstrap samples were employed.

RESULTS: A total of 409 patients participated in the study. The Findings revealed significant positive correlations between trauma exposure and pain (r = 0.26-0.31), anxiety (r = 0.33-0.41), and depression (r = 0.29-0.38) (p < .05). Regression models indicated that trauma and emotional well-being significantly predicted pain (Adjusted R² = 0.39, p < .001). Mediation analysis demonstrated that anxiety and depression partially mediated the trauma-pain relationship, accounting for 38-46% of the total effect.

CONCLUSIONS: Past trauma was significantly associated with both emotional well-being and pain severity among cancer patients. Integrating trauma-informed psychological care into oncology settings may help reduce pain and enhance emotional resilience among patients.

PMID:42143438 | DOI:10.1016/j.ejon.2026.103204

Biophys J. 2026 May 15:S0006-3495(26)00360-7. doi: 10.1016/j.bpj.2026.05.020. Online ahead of print.

ABSTRACT

Understanding how chromatin folds in three dimensions remains challenging because most experimental assays capture low-dimensional projections of an underlying, highly heterogeneous polymer. Here we present an ensemble-based interpretive framework built on the previously introduced Self-Returning Excluded Volume (SR-EV) model, a minimal generator of chromatin conformations using a nucleosome-indexed coarse-grained representation based on stochastic return rules and excluded-volume geometry. Despite its simplicity, SR-EV recapitulates key experimental signatures across scales: heterogeneous nanoscale packing domains resembling ChromEMT and ChromSTEM observations, sparse and highly variable single-configuration contact patterns analogous to single-cell chromosome conformation capture (Hi-C), and robust ensemble-level contact enrichment consistent with topologically associating domains (TADs). In this framework, Hi-C loop and TAD signatures are interpreted as ensemble-level statistical enrichments rather than invariant features of single-cell conformations. SR-EV is explicitly designed to generate large ensembles of complete three-dimensional chromatin configurations that can be projected consistently onto two-dimensional contact maps and one-dimensional genomic profiles. By introducing architectural-protein effects only through ensemble selection rather than explicit forces, SR-EV supports a separation between intrinsic polymer geometry and regulatory bias and suggests that TAD-like features can emerge as statistical enrichments rather than deterministic three-dimensional structures. Coordination number and probe-based accessibility computed directly from SR-EV provide a unified link between three-dimensional packing, two-dimensional contact maps, and one-dimensional genomic profiles. The main contribution of this work is to show, within a single coarse-grained framework, how these multimodal observables arise as linked projections of the same heterogeneous chromatin ensemble through averaging and conditional sampling. Together, these results establish SR-EV as a minimal and geometrically grounded mesoscale reference framework for interpreting how heterogeneous chromatin ensembles give rise to multimodal experimental observables, while remaining consistent with the fact that chromatin organization is realized in individual cells.

PMID:42143406 | DOI:10.1016/j.bpj.2026.05.020

Biophys J. 2026 May 15:S0006-3495(26)00362-0. doi: 10.1016/j.bpj.2026.05.022. Online ahead of print.

ABSTRACT

Biological membranes are compositionally asymmetric, with distinct lipid mixtures in each leaflet, yet how this asymmetry influences lateral membrane organization remains poorly understood. Here, we use calcium-induced hemifusion to generate asymmetric giant unilamellar vesicles (aGUVs) and investigate how lipid composition modulates interleaflet coupling of liquid-liquid phase separation. Symmetric GUVs composed of cholesterol, the high-melting lipid DPPC, and a low-melting phosphatidylcholine (either 14:1-PC or 16:1-PC) were prepared at compositions exhibiting coexisting liquid-ordered (Lo) and liquid-disordered (Ld) phases. Hemifusion with a uniformly mixed supported lipid bilayer selectively altered the outer leaflet composition, producing aGUVs with controlled but variable asymmetry. Fluorescence measurements of outer leaflet exchange revealed substantial vesicle-to-vesicle variability, resulting in overlapping populations of phase-separated and uniformly mixed aGUVs. To account for this variability, we developed a statistical framework that jointly models the distribution of exchange fractions and the location of a phase boundary in asymmetric composition space, allowing all observed vesicles to contribute to the analysis. We find that aGUVs containing 14:1-PC require significantly greater outer leaflet exchange to abolish phase separation than those containing 16:1-PC. Only in the 14:1-PC system do we observe vesicles exhibiting coexistence of distinct anti-registered phases, a theoretically predicted but rarely observed regime consistent with large hydrophobic mismatch. By expressing symmetric and asymmetric miscibility boundaries in a common compositional framework, we introduce a phenomenological parameter, Δ^∗, that quantifies the direction and strength of interleaflet coupling. These results demonstrate that modest changes in lipid chain length can markedly alter asymmetric phase boundaries, and provide a quantitative link between experimental observations, leaflet dominance concepts, and coupled-leaflet theories of membrane organization.

PMID:42143405 | DOI:10.1016/j.bpj.2026.05.022

Intern Emerg Med. 2026 May 16. doi: 10.1007/s11739-026-04385-z. Online ahead of print.

ABSTRACT

Chronic obstructive pulmonary disease (COPD) is strongly linked to tobacco smoking, and smoking cessation is central to disease management. E-cigarettes are widely promoted as a harm reduction option in the United Kingdom, yet patterns of use among people with COPD remain poorly described. This study examined the prevalence and correlates of current e-cigarette use among individuals with COPD in Scotland using data from the 2018 to 2022 Scottish Health Survey. The analysis included adults aged 16 years and above who reported a COPD diagnosis (n = 891). Survey-weighted logistic regression was used to estimate crude and adjusted associations between sociodemographic, behavioural, and health characteristics and current e-cigarette use, with additional models stratified by smoking status and smoking intensity. The weighted prevalence of current e-cigarette use was 11.9% (95%CI 9.7-14.5). Older age was associated with lower odds of current use (adjusted odds ratio [aOR] 0.60; 95%CI 0.41-0.89), while socioeconomic deprivation showed a positive gradient (aOR 1.21; 95%CI 1.01-1.45). Smoking status was the strongest correlate: odds were higher among ex-smokers (aOR 10.80; 95%CI 1.66-70.06) and current smokers (aOR 14.86; 95%CI 2.37-93.33) compared with never-smokers. Among current smokers, younger age, female sex, and higher deprivation were associated with use, whereas no clear determinants were identified among former smokers. Light and moderate smokers had greater odds of current e-cigarette use than non-smokers, while heavy smokers did not differ. Overall, e-cigarette use was relatively common and concentrated among younger, more deprived adults with a smoking history. Longitudinal studies are needed to determine the implications for respiratory outcomes.

PMID:42142305 | DOI:10.1007/s11739-026-04385-z

Arch Orthop Trauma Surg. 2026 May 16;146(1):188. doi: 10.1007/s00402-026-06330-3.

ABSTRACT

PURPOSE: Hidden blood loss (HBL) is an underrecognized contributor to total perioperative blood loss after hip fracture surgery. This study aimed to quantify HBL during the first three postoperative days following proximal femur fracture fixation and to assess the impact of preoperative anticoagulant therapy on blood loss and transfusion requirements.

METHODS: A retrospective cohort study was conducted including patients aged ≥ 65 years who underwent surgical fixation of proximal femur fractures at a level I trauma center between January 2020 and December 2022. Total blood loss was estimated from perioperative hemoglobin changes and calculated blood volume. Patients were stratified according to anticoagulant use, and logistic regression analysis was performed to identify independent predictors of increased blood loss.

RESULTS: Among 260 patients analyzed, median total blood loss was 1184 ml, and 25% experienced losses exceeding 1675 ml. High blood loss correlated significantly with anticoagulant use, higher BMI, and longer operative time (p < 0.001). In multivariate analysis, anticoagulant therapy (particularly direct oral anticoagulants) remained an independent predictor of high blood loss (OR 3.06; 95% CI 1.47-6.37; p = 0.003). Patients in the highest quartile required significantly more transfusions, though short-term mortality did not differ.

CONCLUSION: Hidden blood loss after proximal femur fracture surgery is frequent and clinically relevant. Anticoagulant use, elevated BMI, and prolonged operative duration independently increase bleeding risk. Awareness of these predictors may support optimized perioperative management and transfusion planning in elderly fracture patients.

PMID:42142301 | DOI:10.1007/s00402-026-06330-3

Clin Drug Investig. 2026 May 16. doi: 10.1007/s40261-026-01561-z. Online ahead of print.

ABSTRACT

BACKGROUND AND OBJECTIVES: The interventional landscape for psoriasis has expanded considerably with the introduction of systemic and biologic agents, intensifying the importance of comprehensive adverse event (AE) documentation to inform safe clinical practice. While regulatory initiatives such as the Food and Drug Administration Amendments Act Final Rule (FDAAA Final Rule) were designed to enhance clinical trial transparency, disparities between AE data presented in ClinicalTrials.gov and peer-reviewed literature continue to occur, potentially complicating interpretation of publicly available harms information used in evidence synthesis and clinical decision-making. Variability in how serious adverse events (SAEs), other adverse events (OAEs), deaths, and treatment discontinuations due to AE are documented can distort safety perceptions and influence clinical practice. This study compares AE reporting between ClinicalTrials.gov and corresponding peer-reviewed publications for psoriasis clinical trials and evaluates whether completeness and concordance differ before versus after implementation of the FDAAA Final Rule.

METHODS: We performed a cross-sectional analysis using systematic retrieval of psoriasis trials from ClinicalTrials.gov with results posted between 2009 and 2024. Data on AEs-encompassing SAEs, OAEs, treatment discontinuation due to AE, and deaths-were independently abstracted by two reviewers, with disagreements resolved through adjudication. Trials were categorized according to FDA regulatory status, and variations in AE documentation were examined using descriptive statistics, chi-squared tests, Bland-Altman and funnel plots, and regression modeling.

RESULTS: The study’s primary endpoint was completeness and agreement of AE documentation between ClinicalTrials.gov and corresponding peer-reviewed publications across four predefined domains: SAEs, OAEs, discontinuation due to AE, and death. Pre-Final Rule AE reporting patterns were mixed across domains. After implementation of the FDAAA Final Rule, registry entries more consistently reported SAEs, OAEs, and mortality than corresponding publications. Although death documentation in registry entries showed improvement after the rule’s enactment, publications demonstrated persistent inconsistency. Following implementation of the FDAAA Final Rule, SAEs were present in 53% of registry records versus 40% of publications. OAEs were captured in 51% of registry entries but only 22% of publications. Disparities in SAE totals occurred in over 90% of trials, frequently with registry entries recording higher counts. Numerous discrepancies stemmed from incomplete calculations, ambiguous characterizations, or AE information confined to narrative text. Both visual and statistical assessments revealed a pattern of underreporting in publications, with minimal temporal improvement irrespective of trial scale or sponsorship type.

CONCLUSIONS: Notwithstanding current regulatory frameworks, AE documentation for psoriasis trials remains fragmented with substantial inconsistency between registry and published data. These shortcomings undermine rigorous safety assessment and evidence-based clinical recommendations. Improved patient care requires increased integration of registry data into evidence synthesis, better clarification of AE definitions, and standardized AE reporting practices.

REGISTRATION: Preregistered on The International Prospective Register of Systematic Reviews (PROSPERO; CRD420251081207) and Open Science Framework (4jaz3).

PMID:42142276 | DOI:10.1007/s40261-026-01561-z