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Insight into the alkali metal poisoning sensitivity of V<sub>2</sub>O<sub>5</sub>-WO<sub>3</sub>/TiO<sub>2</sub> catalysts for NO<sub>x</sub> abatement via machine learning and in situ Raman spectroscopy
Full text linkV2O5–WO3/TiO2 (VWTi) catalysts for NH3–SCR suffer severe poisoning by alkali metals, especially K, yet the site-specific poisoning mechanism remains unclear. Herein, we elucidate the poison mechanism based on a comprehensive investigation consisting of experimental work, theory calculation, and machine learning, conducted by controlling the VOx density and K/V ratio. Using a variety of characterization techniques, we found that the SCR activity of a VWTi catalyst was governed by its redox ability and the Lewis acidity dominated by V4+. The terminal V=O group is a Lewis acid and can adsorb NH3, while the bridging V–O–V group serves as a redox center, capable of activating NO/O2. K poisons a VWTi catalyst by attacking the strong Brønsted acids first and then the strong Lewis sites, resulting in a nonlinear progression of activity decline, which is slow initially but accelerates with increasing K accumulation. This phenomenon is especially evident for high–V loading catalysts dominated by the polymeric VOx species. Density functional theory calculations reveal that K poisons VWTi catalysts by binds K to the terminal V=O sites, forming the chemically inactive KVO3 compound and weakening the NH3 adsorption on the neighboring VOx. This work offers a comprehensive understanding of the site-specific sensitivity of VOx species to alkali metal poisoning and provides important insights to the deactivation process, which could be used to design practical VWTi catalysts for commercial applications.</p
Thermal performance profiling of phase change materials integrated building envelopes through simulation-data envelopment analysis approach
Full text linkPhase change materials (PCM) regulate the heat flow between the ambient and the indoor spaces by their latent capacitance. Performance assessment of PCM integrated wall systems are often based on the gross energy demand reduction or reduction in heat gain over the year. However, the efficacy of PCM integrated wall systems is also driven by the effective utilization of the maximum latent thermal energy storage capacity. This paper presents a framework for thermal performance profiling of PCM-integrated envelopes using a relative performance metric termed thermal calibre. Data Envelopment Analysis technique is used for determining the thermal calibre, where minimizing the heat gains & inside surface temperature of the envelope and maximizing the utilization of the latent heat capacity of PCM are the objective functions. The approach is demonstrated by considering 190 PCM-integrated building envelopes applied to a residential building in a hot-dry climatic region. The thermal calibre of the envelopes vary from 0.62 to 1. Thermal calibre effectively captures the impact of thermo-physical property, location of PCM in the envelope, variations in thermal boundary conditions, seasonal and diurnal variations. The thermal calibre of envelopes increases with an increase in thickness of internal PCM layers. In contrast, the thickness of external PCM layers does not significantly affect their thermal calibre. This approach reveals the efficacy of the wall system over time of the year and presents an opportunity to solicit season-optimal performance. This method can be used as a post-hoc assessment to building simulations and pareto optimization facilitating informed decision making in the material selection process.</p
Dataset for "Pioneering Net Zero Carbon Construction Policy in Bath & North East Somerset: Evaluating the effectiveness of novel planning policies over time"
No full textThis data was collected as part of a continuing collaboration between the University of Bath and Bath and North East Somerset Council, exploring the impacts of (and reception to) pioneering sustainable planning policies for new buildings which were first introduced in January 2023. This project evaluates the success of the policies two years on, establishing long-term trends, opportunities for refinement, and the national policy implications of this unique policy case study. The deposited data relates to two parts of the methodology. The first is an analysis of incoming planning application, relating to the characteristics of proposed buildings and key parameters submitted to comply with the net zero energy requirements. The second is the results of a questionnaire sent out to applicants
The Impact of Inter-Departmental Distance on Joint Sales in Retail Stores
Full text linkWe find that inter-departmental distance between two departments in a store can significantly impact joint (combined) sales of that pair. Using data from blueprints and sales across 64 stores for 52 weeks, along with an experimental study to test our theorizing, we find a curvilinear (inverted U-shaped) relationship between inter-departmental distance and joint sales. Specifically, close departments are perceived to be substitutes, decreasing the likelihood of buying products from both departments. As distance increases, departments are perceived as somewhat related but different, increasing their diversity and the likelihood of buying from both departments. As distance between departments becomes large and products are seen as unrelated, the likelihood of buying from both departments decreases. This relationship is moderated when departments have non-identical layouts and when there are larger variety differentials across departments. Accordingly, we determine an optimal store layout using BARON solver by maximizing total store revenue. Our results suggest an increase in weekly revenue of about 4.08% for supermarkets (range of -.67% to 9.50%) and 3.20% for hypermarkets (range of .82% to 8.5%). While strategic locations of departments can help retailers increase overall sales, prior empirical work has not studied the impact of distance between departments at the store level
Large-amplitude periodic solutions to the steady Euler equations with piecewise constant vorticity
Full text linkWe consider steady solutions to the incompressible Euler equations in a two-dimensional channel with rigid walls. The flow consists of two periodic layers of constant vorticity separated by an unknown interface. Using global bifurcation theory, we rigorously construct curves of solutions that terminate either with stagnation on the interface or when the conformal equivalence between one of the layers and a strip breaks down in a (Formula presented.) sense. We give numerical evidence that, depending on parameters, these occur either as a corner forming on the interface or as one of the layers developing regions of arbitrarily thin width. Our proof relies on a novel formulation of the problem as an elliptic system for the velocity components in each layer, conformal mappings for each layer, and a horizontal distortion, which makes these mappings agree on the interface. This appears to be the first local formulation for a multi-layer problem, which allows for both overhanging wave profiles and stagnation points.</p
Fabrication and characterization of taste-masked core-shell nanofibre mats for dual drug delivery of antihypertensives in pediatrics
Full text linkDrug adherence in pediatrics can be challenging due to bitter drug taste, dysphagia and polypharmacy. With pediatric hypertension on the rise worldwide, this study investigated the use of electrospinning to create a novel taste-masked, fixed-dose combination of lisinopril dihydrate (LIS) and amlodipine besylate (AML) for paediatric use. Electrospun nanofibres of the antihypertensives were formulated as core–shell fibres with polyvinylpyrrolidone (PVP), and Eudragit® EPO (EEPO) by applying an electrical charge to a viscous mixture of the drugs, polymers and solvents. The drug loading, release kinetics, morphology, thermal analysis, physical and solid-state characterization of the fibre mats were evaluated. Taste-masking was investigated in vitro by electronic-tongue analysis. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analyses showed smooth, non-beaded core–shell fibres with diameters in the nanorange. Fourier transform infra-red (FTIR) spectroscopy and x-ray diffraction (XRD) studies confirmed the drugs were amorphously dispersed within the fibres and thermal analysis studies showed acceptable stability profile of the formulations. Both drugs were over 90 % released in 15 mins consistent with immediate release formulations. The e-tongue mean sensor response plot showed the nanofibre mats achieved a statistically significant enhanced taste-masking (p < 0.0001) compared to raw amlodipine which registered a high bitterness reading of 87 mV. This study therefore indicates that coaxial electrospinning may be used to produce a fixed-dose taste masked nanofibre mat of LIS and AML that can potentially be used to improve adherence in children.</p
Book review of the book “The Affective Dimension in English-medium instruction in higher education” by D. Lasagabaster, A. Fernández-Costales & F. de Lis González-Mujico (Ed)
Full text linkEnglish-medium instruction (EMI) has become a defining feature of the internationalisation of higher education, yet research in this area has long privileged cognitive, linguistic, and achievement-oriented perspectives (Curle et al., 2025). Despite the rapid expansion of EMI scholarship, affective dimensions such as emotion, identity, wellbeing, motivation, and belief systems have frequently been treated as peripheral rather than constitutive elements of teaching and learning (Rose et al., 2026). The Affective Dimension in English-Medium Instruction in Higher Education addresses this imbalance directly. The edited volume offers a sustained and empirically grounded examination of affect as a central lens through which EMI practices, experiences, and outcomes can be more fully understood
Hybrid Simulation-Based Algorithm Tuning for Production Speed Management System as a Stand-Alone Online Digital Twin
Full text linkOne of the primary in-built components of smart, continuous manufacturing lines is the production speed management system (PSMS). In addition to being overly cautious, the decisions made in these systems may center on making local adjustments to the manufacturing process, indicating a major drawback of such systems that prevents them from acting as proper digital twins. This study delves into hybridizing the continuous and discrete event simulation, DOE, and V-graph methods to redefine PSMS's internal decision algorithms and procedures, giving it an aerial perspective of the line and turning it into a stand-alone online digital twin with decisions at a system level. The proposed approach is applied to a practical case from the food and beverage industry to validate its effectiveness. Numerical results demonstrated an intelligent, dynamic balancing of the production line, a substantial increment in productivity, and up to 37.7 % better resiliency against new failure and repair patterns
Dataset for a framework for assessing the impact of geometric imperfections in concrete shell structures using deep learning
No full textThis dataset contains scripts and data supporting the following following thesis: Pollet, M. (2025). Rapid structural analysis of prefabricated thin concrete shells using deep learning (Thesis). University of Bath. Concrete thin-shells are materially efficient structures, which can be used to reduce the environmental impact of concrete structures. However, geometric imperfections, which may occur during production can negatively impact their structural behaviour. While this impact can be assessed through Finite Element Analysis (FEA), a faster analysis method, such as surrogate modelling, could benefit concrete shell manufacturers. This dataset contains deep learning models – Multilayer Perceptrons, and Convolutional Neural Networks – that have been trained to predict the buckling factor and stress fields of geometrically imperfect concrete thin-shells of various shapes under design loads. It also contains the Python scripts that were used to train these models and assess their performance. Running these scripts necessitates the associated ConcreteShellFEA dataset to be downloaded. Further details about this data can be found in the related thesis
Tertiary phosphane-modified Ni(II) 1,3-Benzothiazol-2-ylacetonitriledithiolates:Tuning heterogeneous OER electrocatalysis through phosphane denticity, steric modulation, and chelate ring-size variation
Full text linkDeveloping robust and active transition metal-based electrocatalysts for the generation of oxygen is crucial for enhancing the performance of numerous energy conversion systems. In this study, syntheses and characterization of three new heteroleptic Ni(II) dithiolate complexes: [(Bzdt)Ni(PPh3)2] (NiBz1), [(Bzdt)Ni(dppe)] (NiBz2), and [(Bzdt)Ni(dppf)] (NiBz3), (where Bzdt2-, PPh3, dppe, and dppf represents 1,3-benzothiazol-2-ylacetonitriledithiolate, triphenylphosphine, 1,2-bis(diphenylphosphino)ethane, and 1,1ʹ-bis(diphenylphosphino)ferrocene, respectively) have been presented. These complexes have been characterized using several spectroscopic techniques, FESEM-EDX, and for NiBz2 using single crystal X-ray diffraction. Structural investigations reveal that Ni(II) center in NiBz2 is coordinated to two S atoms from dithiolate ligand and two P atoms from dppe ligand forming a distorted square planar geometry. Hirshfeld surface analysis indicates the presence of key non-covalent interactions, including C-H···S, C-H···C, C-H···Ni, and C-H···N, which support the stability of the supramolecular framework. Electrochemical investigations of these complexes as OER electrocatalysts in alkaline media reveal that all three show notable activity (j > 46.11 mA.cm-2 at 10 mV·s-1), with NiBz2 standing out due to its lowest overpotential (η = 354 mV at j = 10 mA.cm-2) and Tafel slope (53 mV.dec‑1). This performance places NiBz2 among the best heterogeneous Ni(II)-dithiolate based OER electrocatalysts so far reported. Its outstanding activity is attributed to a combination of favorable electronic properties, such as a reduced charge-transfer gap and charge transfer resistance, which facilitate efficient electron transfer during catalysis. Overall, this study showcases that phosphine-derived steric and electronic tuning enables charge-transfer gap engineering within Ni(II)-dithiolate frameworks, and establishes a clear correlation between ligand-dependent electronic structure and OER performance.</p
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