Reaction mechanism of trypsin-catalysed semisynthesis of human insulin studied by fast atom bombardment mass spectrometry

The production of semisynthetic human insulin for therapeutic purposes is of considerable importance. During trypsin-catalysed transformation of pig insulin into an ester of insulin of human sequence, the alanyl residue at position B30 is removed and replaced with an esterified residue of threonine. We have carried out this transformation in a medium enriched in 18OH2 and studied the product by MS. In contrast to a previous report, we find that incorporation of label into the B29−B30 peptide bond occurs during the transformation with threonine methyl ester in aqueous N, N-dimethylacetamide. Quantitative data are presented and the implications of these findings are discusse

Resonance-enhanced vibrational spectroscopy of molecules on a superconductor

Molecular vibrational spectroscopy with the scanning tunneling microscope is feasible but usually detects few vibrational modes. We harness sharp Yu-Shiba-Rusinov (YSR) states observed from molecules on a superconductor to significantly enhance the vibrational signal. From a lead phthalocyanin molecule 46 vibrational peaks are resolved enabling a comparison with calculated modes. The energy resolution is improved beyond the thermal broadening limit and shifts induced by neighbor molecules or the position of the microscope tip are determined. Vice versa, spectra of vibrational modes are used to measure the effect of an electrical field on the energy of YSR states. The method may help to further probe the interaction of molecules with their environment and to better understand selection rules for vibrational excitations

Evidence for Quantum Interference in SAMs of Arylethynylene Thiolates in Tunneling Junctions with Eutectic Ga-In (EGaIn) Top-Contacts

This paper compares the current density (J) versus applied bias (V) of self-assembled monolayers (SAMs) of three different ethynylthiophenol-functionalized anthracene derivatives of approximately the same thickness with linear-conjugation (AC), cross-conjugation (AQ), and broken-conjugation (AH) using liquid eutectic Ga-In (EGaIn) supporting a native skin (~1 nm thick) of Ga2O3 as a nondamaging, conformal top-contact. This skin imparts non-Newtonian rheological properties that distinguish EGaIn from other top-contacts; however, it may also have limited the maximum values of J observed for AC. The measured values of J for AH and AQ are not significantly different (J ≈ 10-1 A/cm2 at V = 0.4 V). For AC, however, J is 1 (using log averages) or 2 (using Gaussian fits) orders of magnitude higher than for AH and AQ. These values are in good qualitative agreement with gDFTB calculations on single AC, AQ, and AH molecules chemisorbed between Au contacts that predict currents, I, that are 2 orders of magnitude higher for AC than for AH at 0 < |V| < 0.4 V. The calculations predict a higher value of I for AQ than for AH; however, the magnitude is highly dependent on the position of the Fermi energy, which cannot be calculated precisely. In this sense, the theoretical predictions and experimental conclusions agree that linearly conjugated AC is significantly more conductive than either cross-conjugated AQ or broken conjugate AH and that AQ and AH cannot necessarily be easily differentiated from each other. These observations are ascribed to quantum interference effects. The agreement between the theoretical predictions on single molecules and the measurements on SAMs suggest that molecule-molecule interactions do not play a significant role in the transport properties of AC, AQ, and AH.

A step towards digital operations -- A novel grey-box approach for modelling the heat dynamics of Ultra-low temperature freezing chambers

Ultra-low temperature (ULT) freezers store perishable bio-contents and have high energy consumption, which highlight a demand for reliable methods for intelligent surveillance and smart energy management. This study introduces a novel grey-box modelling approach based on stochastic differential equations to describe the heat dynamics of the ULT freezing chambers. The proposed modelling approach only requires temperature data measured by the embedded sensors and uses data from the regular operation periods for model identification. The model encompasses three states: chamber temperature, envelope temperature, and local evaporator temperature. Special attention is given to the local evaporator temperature state, which is modelled as a time-variant system, to characterize the time delay and dynamic variations in cooling intensity. Two ULT freezers with different operational patterns are modelled. The unknown model parameters are estimated using the maximum likelihood method. The results demonstrate that the models can accurately predict the chamber temperature measured by the control probe (RMSE < 0.19 {\deg}C) and are promising to be applied for forecasting future states. In addition, the model for local evaporator temperature can effectively adapt to different operational patterns and provide insight into the local cooling supply status. The proposed approach greatly promotes the practical feasibility of grey-box modelling of the heat dynamics for ULT freezers and can serve several potential digital applications. A major limitation of the modelling approach is the low identifiability, which can potentially be addressed by inferring model parameters based on relative parameter changes

Maskinlesbar håndbok V440 - Bruregistrering (Brutus)

Utbyggingsprosjektet E39 Stord-Os, Fjordkryssing - Bjørnafjorden, har i samarbeid med buildingSMART Norge utviklet en maskinlesbar versjon av håndbok V440 Bruregistrering. Programvareleverandører presenterte hvordan de hadde integrert V440 inn i sine løsninger gjennom prosessen [openLAB : Hackathon]. Håndbok V440 beskriver bl.a. en klassifiseringsstruktur for hvordan bruer skal registreres og identifiseres. Denne klassifiseringsstrukturen skal danne grunnlaget for en felles definisjon av de ulike komponentene Bjørnafjordbrua består av, og er premissgiver for utvikling av BOLC - Bjørnafjorden Open Live Center, BIM for byggherre.Statens vegvesen Vegdirektorate

Pilotprosjekt - Utvikling av ontologi V441, semantisk web og lenkede data - Sluttrapport

Utbyggingsprosjektet E39 Stord-Os, Fjordkryssing - Bjørnafjorden, har i samarbeid med buildingSMART Norge utviklet en maskinlesbar versjon av håndbok V441 Bruinspeksjon. Prosjektet er en videreføring av arbeidet og erfaringene fra prosessen [openLAB : Hackathon] for utvikling av maskinlesbar versjon av håndbok V440 Bruregistrering. Håndbok V441 beskriver hvordan inspeksjoner av bruer skal gjennomføres, men inneholder i tillegg bl.a. en klassifiseringsstruktur/kategorisering av skadetyper, skadeårsaker, skadekonsekvenser og skadeomfang. Denne strukturen passer inn i vedlikeholdsprogram til Bjørnafjorden og for samhandling i BOLC løsningen.Statens vegvesen Vegdirektorate

Observation of Quantum Interference in Molecular Charge Transport

As the dimensions of a conductor approach the nano-scale, quantum effects will begin to dominate its behavior. This entails the exciting possibility of controlling the conductance of a device by direct manipulation of the electron wave function. Such control has been most clearly demonstrated in mesoscopic semiconductor structures at low temperatures. Indeed, the Aharanov-Bohm effect, conductance quantization and universal conductance fluctuations are direct manifestations of the electron wave nature. However, an extension of this concept to more practical emperatures has not been achieved so far. As molecules are nano-scale objects with typical energy level spacings (~eV) much larger than the thermal energy at 300 K (~25 meV), they are natural candidates to enable such a break-through. Fascinating phenomena including giant magnetoresistance, Kondo effects and conductance switching, have previously been demonstrated at the molecular level. Here, we report direct evidence for destructive quantum interference in charge transport through two-terminal molecular junctions at room temperature. Furthermore, we show that the degree of interference can be controlled by simple chemical modifications of the molecule. Not only does this provide the experimental demonstration of a new phenomenon in quantum charge transport, it also opens the road for a new type of molecular devices based on chemical or electrostatic control of quantum interference