Interoperable software platforms for introducing artificial intelligence components in manufacturing: A meta-framework for security and privacy.

The irruption of advanced technologies and the limited knowledge of software architectures are making it difficult for many small and medium-sized manufacturing companies to keep up with what is being called the fourth industrial revolution (Industry 4.0, Industry of the Future). Container orchestration platforms provide layers of simplification for key requirements such as interoperability, security, and privacy, and provide mechanisms that allow companies and technology providers to focus on their specific functionalities and goals, instead of investing considerable time and effort in the underlying platform on which the solution will operate.

Needs, Requirements and a Concept of a Tool Condition Monitoring System for the Aerospace Industry.

In this paper, we describe the needs and specific requirements of the aerospace industry in the field of metal machining; specifically, the concept of an edge-computing-based production supervision system for the aerospace industry using a tool and cutting process condition monitoring system. The new concept was developed based on experience gained during the implementation of research projects in Poland's Aviation Valley at aerospace plants such as Pratt & Whitney and Lockheed Martin. Commercial tool condition monitoring (TCM) and production monitoring systems do not effectively meet the requirements and specificity of the aerospace industry.

Self-Tuning Method for Increased Obstacle Detection Reliability Based on Internet of Things LiDAR Sensor Models.

On-chip LiDAR sensors for vehicle collision avoidance are a rapidly expanding area of research and development. The assessment of reliable obstacle detection using data collected by LiDAR sensors has become a key issue that the scientific community is actively exploring. The design of a self-tuning methodology and its implementation are presented in this paper, to maximize the reliability of LiDAR sensors network for obstacle detection in the 'Internet of Things' (IoT) mobility scenarios.

Obstacle Recognition Based on Machine Learning for On-Chip LiDAR Sensors in a Cyber-Physical System.

Collision avoidance is an important feature in advanced driver-assistance systems, aimed at providing correct, timely and reliable warnings before an imminent collision (with objects, vehicles, pedestrians, etc.). The obstacle recognition library is designed and implemented to address the design and evaluation of obstacle detection in a transportation cyber-physical system.

Chiral recognition and atropisomerism in the sevoflurane dimer.

We have examined the stereoselectivity of molecular recognition between two molecules of the anesthetic sevoflurane using broadband rotational spectroscopy. The transient axial chirality of sevoflurane is revealed upon the formation of the dimer, as two different diastereoisomers made of either homo- or heterochiral species are detected in a supersonic jet expansion. The conformational assignment was confirmed by the observation of eighteen different isotopologues in natural abundance (all possible (13)C's and two (18)O species of the homochiral form).

Conformational flexibility of mephenesin.

The mephenesin molecule (3-(2-methylphenoxy)propane-1,2-diol) serves as a test bank to explore several structural and dynamical issues, such as conformational flexibility, the orientation of the carbon linear chain relative to the benzene plane, or the effect of substituent position on the rotational barrier of a methyl group. The molecule has been studied by rotational spectroscopy in the 4-18 GHz frequency range by Fourier-transform methods in a supersonic expansion. The experiment has been backed by a previous conformational search plus optimization of the lowest energy structures by ab initio and density functional quantum calculations.

Behind the reactivity of lactones: a computational and spectroscopic study of phenol·γ-butyrolactone.

In this work, the intermolecular interaction between phenol and γ-butyrolactone (GBL) has been studied by a combination of spectroscopic and computational techniques. The electronic and vibrational transitions of phenol · GBL were measured in a supersonic jet expansion by resonant two-photon ionization (R2PI) and ion dip IR (IDIR) spectroscopy. The results obtained were compared with calculations carried out with both M06-2X and MP2 molecular orbital methods in order to characterize the intermolecular interactions.

Probing the C-H⋅⋅⋅π weak hydrogen bond in anesthetic binding: the sevoflurane-benzene cluster.

Cooperativity between weak hydrogen bonds can be revealed in molecular clusters isolated in the gas phase. Here we examine the structure, internal dynamics, and origin of the weak intermolecular forces between sevoflurane and a benzene molecule, using multi-isotopic broadband rotational spectra. This heterodimer is held together by a primary C-H⋅⋅⋅π hydrogen bond, assisted by multiple weak C-H⋅⋅⋅F interactions.

Ultrafast Nonradiative Relaxation Channels of Tryptophan.

The nonradiative relaxation channels of gas-phase tryptophan excited along the S1-S4 excited states (287-217 nm) have been tracked by femtosecond time-resolved ionization. In the low-energy region, λ ≥ 240 nm, the measured transient signals reflect nonadiabatic interactions between the two bright La and Lb states of ππ* character and the dark dissociative πσ* state of the indole NH. The observed dynamical behavior is interpreted in terms of the ultrafast conversion of the prepared La state, which simultaneously populates the fluorescent Lb> and the dissociative πσ* states.

The distorted tropane of scopoline.

The structural isomerization of scopine into scopoline (oscine) has been observed in a supersonic jet expansion using microwave spectroscopy. The rotational spectrum evidences a single structure in the gas phase, providing a first description of the (three-ring) structurally distorted tropane in scopoline. The absence of rotational signatures of any scopine conformation suggests a practically quantitative isomerization at the vaporization temperatures of the experiment (ca.

Rotational spectroscopy of antipyretics: conformation, structure, and internal dynamics of phenazone.

The conformational and structural preferences of phenazone (antipyrine), the prototype of non-opioid pyrazolone antipyretics, have been probed in a supersonic jet expansion using rotational spectroscopy. The conformational landscape of the two-ring assembly was first explored computationally, but only a single conformer was predicted, with the N-phenyl and N-methyl groups on opposite sides of the pyrazolone ring. Consistently, the microwave spectrum evidenced a rotational signature arising from a single molecular structure.

Free fructose is conformationally locked.

Fructose has been examined under isolation conditions using a combination of UV ultrafast laser vaporization and Fourier-transform microwave (FT-MW) spectroscopy. The rotational spectra for the parent, all (six) monosubstituted (13)C species, and two single D species reveal unambiguously that the free hexoketose is conformationally locked in a single dominant β-pyranose structure. This six-membered-chair skeleton adopts a (2)C(5) configuration (equivalent to (1)C(4) in aldoses).

Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid-Formic Acid Bimolecule.

Tunneling effects have been measured in the pulsed jet Fourier transform microwave spectra of two isotopologues of the benzoic acid-formic acid bimolecule. The tunneling splittings are originated by the concerted proton transfer of the two carboxylic hydrogens. From the values of these splittings for the OH-OH and OD-OD species, it has been possible to model/size the barrier to the concerted double proton transfer.

Ultrafast evolution of imidazole after electronic excitation.

The ultrafast dynamics of the imidazole chromophore has been tracked after electronic excitation in the 250-217 nm energy region, by time delayed ionization with 800 nm laser pulses. The time-dependent signals collected at the imidazole(+) mass channel show the signature of femtosecond dynamics, originating on the πσ*- and ππ*-type states located in the explored energy region. The fitting of the transients, which due to the appearance of nonresonant coherent adiabatic excitation requires a quantum treatment based in the Bloch equations, yields two lifetimes of 18 ± 4 and 19 ± 4 fs.

A spectroscopic and computational study of propofol dimers and their hydrated clusters.

Propofol (2,6-diisopropylphenol, PPF) homodimers and their complexes with one water molecule are analyzed by means of mass-resolved excitation spectroscopy. Using two-color resonance-enhanced multiphoton ionization (REMPI) the S(1) electronic spectra of these systems are obtained, avoiding fragmentation. Due to the large size of these species, the spectra present a large abundance of lines.

Single hydration of the peptide bond: the case of the Vince lactam.

2-Azabicyclo[2.2.1]hept-5-en-3-one (ABH or Vince lactam) and its monohydrated complex (ABH···H(2)O) have been observed in a supersonic jet by Fourier transform microwave spectroscopy.

A combined spectroscopic and theoretical study of propofol·(H2O)3.

Propofol (2,6-di-isopropylphenol) is probably the most widely used general anesthetic. Previous studies focused on its complexes containing 1 and 2 water molecules. In this work, propofol clusters containing three water molecules were formed using supersonic expansions and probed by means of a number of mass-resolved laser spectroscopic techniques.

Femtosecond evolution of the pyrrole molecule excited in the near part of its UV spectrum.

The evolution of the isolated pyrrole molecule has been followed after excitation in the 265-217 nm range by using femtosecond time delayed ionization. The transients collected in the whole excitation range show the vanishing of the ionization signal in the femtosecond time scale, caused by the relaxation along a πσ(∗) type state (3s a(1)←π 1a(2)), which is the lowest excited electronic state of the molecule. This surface is dissociative along the NH bond, yielding a 15 ± 3 fs lifetime that reflects the loss of the ionization cross-section induced by the ultrafast wavepacket motion.

A spectroscopic approach to the solvation of anesthetics in jets: propofol(H2O)n, n = 4-6.

Propofol is a widely used nonvolatile anesthetic that exerts its action by docking to GABAA receptors. The docking process is a competition between solvation of the anesthetic by the extracellular medium and the stabilization inside the active site, and therefore a deep knowledge of the process requires of a good understanding of the solvation process. In this work we create propofol-water complexes containing up to six water molecules using supersonic expansions.

Mass-resolved infrared spectroscopy of complexes without chromophore by nonresonant femtosecond ionization detection.

Mass-resolved excitation spectroscopic techniques are usually limited to systems with a chromophore, that is, a functional group with electronic transitions in the Vis/UV, with lifetimes from hundreds of picoseconds to some microseconds. In this paper, we expand such techniques to any system, by using a combination of nanosecond IR pulses with nonresonant ionization with 800 nm femtosecond laser pulses. Furthermore, we demonstrate that the technique can achieve conformational specificity introducing an additional nanosecond IR laser.

Mimicking anaesthetic-receptor interaction: a combined spectroscopic and computational study of propofol···phenol.

Propofol is a general anaesthetic that exerts its action by interaction with the GABA(A) receptor. Crystallographic studies suggest that there is a direct interaction between propofol and the phenolic residue of a tyrosine in the channel. In this study we create propofol···phenol clusters by their co-expansion in jets.

Exploring microsolvation of the anesthetic propofol.

Propofol (2,6-diisopropylphenol) is a broadly used general anesthetic. By combining spectroscopic techniques such as 1- and 2-color REMPI, UV/UV hole burning, infrared ion-dip spectroscopy (IRIDS) obtained under cooled and isolated conditions with high-level ab initio calculations, detailed information on the molecular structure of propofol and on its interactions with water can be obtained. Four isomers are found for the bare propofol, while only three are detected for the monohydrated species and two for propofol·(H(2)O)(2).

Ultrafast photophysics of the isolated indole molecule.

The relaxation dynamics of the isolated indole molecule has been tracked by femtosecond time-resolved ionization. The excitation region explored (283-243 nm) covers three excited states: the two ππ* L(b) and L(a) states, and the dark πσ* state with dissociative character. In the low energy region (λ > 273 nm) the transients collected reflect the absorption of the long living L(b) state.