Water-Soluble Squaramide Dihydrates: N-Methylation Modulates the Occurrence of One- and Two-Dimensional Water Clusters through Hydrogen Bonding and Dipolar Interactions

Water confined in molecular size domains is distinct to bulk water. The altered interactions between adjacent water molecules, and between water molecules and molecular wall components of the confinement system, determine aspects of important phenomena in material science, biology, and nanotechnology. The structural determination of confined water, however, has proven to be challenging. Here, we describe the crystal structures of three related squaramides 1–3 whose molecular structures are modulated by the gradual incorporation of N-methyl groups to the squaramide moiety. The three squaramides differ in their hydrogen bonding capabilities due to the different degree of N-methylation of each…

Grafted squaramide monoamine nanoparticles as simple systems for sulfate recognition in pure water.

New simple systems formed by a chain containing a squaramide function and a quaternised amine group attached to boehmite or silica-coated boehmite nanoparticles are able to discriminate anions in pure water.

Design of the Tube Roll Forming Process Through an Heuristic Algorithm

In the paper the design of an industrial tube roll forming process is developed utilizing an heuristic algorithm, namely the simulated annealing (SA). In particular both the number and the shape of the deforming rolls are determined in order to define the forming sequence. The effectiveness of the results supplied by the SA algorithm is verified both by means of some experiments tests carried out on an industrial tube roll forming equipment and through a set of numerical simulations of the process.

Conformational Isomerism: Influence of the Z / E Isomerism on the Pathway Complexity of a Squaramide‐Based Macrocycle (Small 7/2021)

Human factor policy testing in the sequencing of manual mixed model assembly lines

In this paper the human resource management in manual mixed model assembly U-lines is considered. The objective is to minimise the total conveyor stoppage time to achieve the full efficiency of the line. A model, that includes effects of the human resource, was developed in order to evaluate human factor policies impact on the optimal solution of this line sequencing problem. Different human resource management policies are introduced to cope with the particular layout of the proposed line. Several examples have been proposed to investigate the effects of line dimensions on the proposed management policies. The examples have been solved through a genetic algorithm. The obtained results conf…

Escalating CO2 degassing at the Pisciarelli fumarolic system, and implications for the ongoing Campi Flegrei unrest

Abstract This short communication aims at providing an updated report on degassing activity and ground deformation variations observed during the ongoing (2012–2019) Campi Flegrei caldera unrest, with a particular focus on Pisciarelli, currently its most active fumarolic field. We show that the CO2 flux from the main Pisciarelli fumarolic vent (referred as “Soffione”) has increased by a factor > 3 since 2012, reaching in 2018–2019 levels (>600 tons/day) that are comparable to those typical of a medium-sized erupting arc volcano. A substantial widening of the degassing vents and bubbling pools, and a further increase in CO2 concentrations in ambient air (up to 6000 ppm), have also been detec…

Magmas near the critical degassing pressure drive volcanic unrest towards a critical state

During the reawaking of a volcano, magmas migrating through the shallow crust have to pass through hydrothermal fluids and rocks. The resulting magma–hydrothermal interactions are still poorly understood, which impairs the ability to interpret volcano monitoring signals and perform hazard assessments. Here we use the results of physical and volatile saturation models to demonstrate that magmatic volatiles released by decompressing magmas at a critical degassing pressure (CDP) can drive volcanic unrest towards a critical state. We show that, at the CDP, the abrupt and voluminous release of H2O-rich magmatic gases can heat hydrothermal fluids and rocks, triggering an accelerating deformation …

Die design for aluminium thin tubes extrusion: a 2D simulation approach

Influence of theZ/EIsomerism on the Pathway Complexity of a Squaramide‐Based Macrocycle

The rising interest on pathway complexity in supramolecular polymerization has prompted the finding of novel monomer designs able to stabilize kinetically trapped species and generate supramolecular polymorphs. In the present work, the exploitation of the Z/E (geometrical) isomerism of squaramide (SQ) units to produce various self-assembled isoforms and complex supramolecular polymerization pathways in methylcyclohexane/CHCl3 mixtures is reported for the first time. This is achieved by using a new bissquaramidic macrocycle (MSq) that self-assembles into two markedly different thermodynamic aggregates, AggA (discrete cyclic structures) and AggB (fibrillar structures), depending on the solven…

Application of Statistical Process Control to Continuous Processes

Control charts represent an efficient and easy tool to assure the state of statistical quality control in a manufacturing process. These tools are also implemented in continuous processes, where the critical parameters are often monitored by on line sensors measuring data with short time intervals. In this paper a continuous process is monitored by using control charts and its dynamic is modeled through linear time series that allow the effects of the autocorrelation to be eliminated. In this way, the control charts can operate on residuals that result identically and independently distributed. A statistical analysis on EWMA, CUSUM and control charts for individual measurements has been car…

AN OBJECT ORIENTED MODEL FOR SCHEDULING IN AGILE MANUFACTURING

Agility represents a key factor in industry to handle the continuous market changes. Companies must re-organize their activities to be agile and competitive in such a dynamic environment. In particular, production planning and control tools are very important to optimize the manufacturing process responsiveness to sudden changes in customer demand. In this paper, an attempt has been made to develop an object-oriented software architecture that allows the optimal line organization to be determined once a set of parts to be produced has been ordered. An optimization module represented by a simulated annealing algorithm has been interfaced with an object oriented architecture to build up a fr…

Dual role of silver in a fluorogenic N-squaraine probe based on Ag(i)–π interactions

In the presence of Ag(I), the monoanion of cyano-N-squaraine (I) generates an intense fluorescence turn-on response. Experimental evidence and DFT calculations reveal a sequence of deprotonation-coordination events in which the Ag(I) ions play a dual role as a Lewis acid and coordinating metal. The observed effect is highly selective for Ag(I) compared to other metals.

A new control parameter to predict micro-warping-induced job failure in LPBF of TI6AL4V titanium alloy

Abstract Laser powder bed fusion (LPBF) includes a few printing techniques widely used, in recent years, concerning the additive manufacturing of Ti6Al4V alloys. These produced parts, typically utilized in sectors such as aerospace and biomedical, are characterized by very high added value. It is therefore fundamental to identify the influence of process parameters typical of LPBF technology on the occurrence of warping leading to process failure. This study deals with the characterization of single-track and “micro-scale” level warping phenomena which may lead to protrusion of material over the powder bed and process failure before normal termination. This phenomenon was investigated as a …

Squaramide-based reagent for selective chromogenic sensing of Cu(II) through a zwitterion radical.

A minimalist squaramide-based chemodosimeter for Cu(2+) is described. Upon selective chelation to 2, Cu(2+) induces the formation of a highly colored zwitterionic radical, which is kinetically stable for hours. The presence of a radical is confirmed by EPR and ESI-MS. It is then possible to use reagent 2 for visual and selective sensing of Cu(2+) at neutral pH.

CCDC 2071315: Experimental Crystal Structure Determination

Related Article: Manel Vega, Salvador Blasco, Enrique García-España, Bartolomé Soberats, Antonio Frontera, Carmen Rotger, Antonio Costa|2021|Dalton Trans.|50|9367|doi:10.1039/D1DT01408K

CCDC 1814073: Experimental Crystal Structure Determination

Related Article: Marta Ximenis, Javier Pitarch-Jarque, Salvador Blasco, Carmen Rotger, Enrique García-España, Antonio Costa|2018|Cryst.Growth Des.|18|4420|doi:10.1021/acs.cgd.8b00401

CCDC 1814074: Experimental Crystal Structure Determination

Related Article: Marta Ximenis, Javier Pitarch-Jarque, Salvador Blasco, Carmen Rotger, Enrique García-España, Antonio Costa|2018|Cryst.Growth Des.|18|4420|doi:10.1021/acs.cgd.8b00401

CCDC 1814075: Experimental Crystal Structure Determination

Related Article: Marta Ximenis, Javier Pitarch-Jarque, Salvador Blasco, Carmen Rotger, Enrique García-España, Antonio Costa|2018|Cryst.Growth Des.|18|4420|doi:10.1021/acs.cgd.8b00401