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We present a novel multiscale approach to study the electronic structure of open shell molecular systems embedded in an external environment. The method is based on the coupling of multilevel Hartree-Fock (MLHF) and Density Functional Theory (MLDFT), suitably extended to the unrestricted formalism, to Molecular Mechanics (MM) force fields (FF). Within the ML region, the system is divided into active and inactive parts, thus describing the most relevant interactions (electrostatic, polarization, and Pauli repulsion) at the quantum level. The surrounding MM part, which is formulated in terms of nonpolarizable or polarizable FFs, permits a physically consistent treatment of long-range electrostatics and polarization effects. The approach is extended to the calculation of hyperfine coupling constants and applied to selected nitroxyl radicals in an aqueous solution.

The ability of companies to rapidly conduct a changeover from one product to another as part of a production process is a fundamental step towards a more flexible production system that can deal with an increasingly dynamic and competitive market. Single-Minute Exchange of Die (SMED) is the best-known lean tool that aims to reduce time consumption in the changeover process. This paper presents a new Lean tool called Set-up Saving Deployment (SSD), which improves set-up efficiency by classifying, analyzing, and removing set-up losses within a changeover process, and which supports decision-making for SMED implementation. SSD uses three matrices, constructed sequentially from the first (L-Matrix) to the last (ECE-Matrix), in order to assess the possible time savings that can be achieved by eliminating losses and, in addition, to forecast possible improvements resulting from implementing a SMED project. SSD also provides a new basket of tailored set-up efficiency indicators that allow the analysis team to correctly assess set-up efficiency, and compare the 'as is' condition with the subsequent 'to be' condition from an operational perspective. The effectiveness of SSD in addressing set-up losses and predicting time savings is illustrated using an industrial case study of a resin doming machine. Thanks to its structured step-by-step procedure, SSD significantly improves the efficiency of the changeover process.

PurposeThis paper proposes a new metric, named Operational Space Efficiency (OpSE), intended to diagnose and quantify the inefficient use of floor space for stocking materials in industrial workstations. OpSE presents a formulation analogous to the well-known Overall Equipment Effectiveness and can be obtained as the product of three distinct indicators: Standard Compliance Effectiveness, Standards Selection Effectiveness and Design Space-usage Effectiveness.Design/methodology/approachThis indicator scrutinizes how usefully floor space in workstations is used to temporarily stock materials in the form of raw materials, semi-finished products, parts and components. It is suited for analyzing fixed-position layouts as well as product layouts typical of repetitive manufacturing settings, such as assembly lines in the automotive sector. The proposed indicator leverages an appropriate loss structure that features those factors affecting floor space utilization in workstations with regard to supplying and stocking materials.FindingsAn Italian manufacturer in the field of electro-technology was used as an industrial case study for the application of the methodology. The application shows how the three indicators work in practice, the effectiveness of OpSE and the methodology as a whole, in diagnosing floor space usage inefficiencies and in properly addressing improvement actions of the internal logistics in industrial settings.Originality/valueThe paper scrutinizes some important Key Performance Indicators (KPIs) dealing with space usage efficiency and identifies some significant drawbacks. Then it suggests a new, inclusive structure of losses and a KPI that not only measures efficiency but also allows to identify viable countermeasures.

Background In recent years, the list of tumor entities in the sinonasal tract has significantly expanded, requiring advanced diagnostic testing. We report the case of a 32-year-old patient with an unusual NUT carcinoma originating in the maxillary sinus, which showed extensive well-differentiated, papillary squamous morphology, similar to the spectrum of the recently described DEK::AFF2 fusion-associated carcinoma. Methods We performed immunohistochemical and molecular studies including EBV- and HPV-testing, as well as DNA/RNA next generation sequencing. Results The tumor showed predominantly exophytic papillary growth with mature squamous differentiation. An additional component harbored atypical, less differentiated basaloid tumor cells with infiltration of the adjacent stroma. Conspicuous inflammation was evident. There was no evidence of HPV DNA or EBV RNA. Next-generation sequencing revealed a NUT::NSD3 gene fusion corresponding to (“speckled-type”) immunopositivity of NUT in the tumor cells. Conclusions We describe a NUT::NSD3 gene fusion-associated NUT carcinoma of the sinonasal tract with a deceptively well-differentiated papillary growth pattern, thus expanding the morphological spectrum of this typically poorly differentiated neoplasm.

PurposeThe paper proposes a new workforce effectiveness metric that is a sophisticated evolution of a pre-existing overall labour effectiveness (OLE) indicator. The KPI, named revised OLE (ROLE), provides a structured methodology to measure in a holistic way the losses relating to labour, maintaining some formal similitude to the overall equipment effectiveness (OEE)Design/methodology/approachA new structure of losses is proposed to overcome the drawbacks and the difficulties that usually affect the data collection stage, referring to directly measurable quantities or, when this is not the case, suggesting a viable method to quantify the loss. Besides, this approach facilitates the comprehension of labour-related issues, suggesting potential countermeasures. The novel ROLE indicator has been defined, based on this new structure, to evaluate the labour effectiveness in batch process industries. A real case study is provided, which explains the methodology and illustrates the capability of the corresponding KPI.FindingsThe present work analyses the labour performance indexes available in literature, with the aim of evidencing those aspects that can be properly observed and quantified and, at the same time, categorizing them to identify their possible drawbacks. A new structure of losses is derived, with respect to four different categories, which may help to measure the losses themselves more effectivelyOriginality/valueThe paper investigates some important KPIs dealing with labour performance and individuates some significant drawbacks. Then it suggests a new, inclusive structure of losses and a modified KPI that not only measures effectiveness but also allows to identify viable countermeasures.

COntrol of BAlance by CArd-BAsed NAvigation (COBACABANA) is a card-based system for job shop control. This paper presents a real industrial application of COBACABANA aimed at solving production con...

Construction projects are often unique, time-limited and require a high degree of customization by involving a significant number of Engineer-to-Order (ETO) components. Usually, ETO construction su...

This paper presents a novel lean tool called Project Time Deployment (PTD) whose objectives are to classify, analyse, and eliminate losses in order to reduce production lead time in Engineer-to-Ord...