1,3-Dimethyl-3′,5-diphenyl-1,5-dihydro-2H,5′H-spiro[furo[2,3-d]pyrimidine-6,4′-isoxazole]-2,4,5′(3H)-trione

Michael addition–halogenation–intramolecular ring-closing (MHIRC) reactions are processes in which a halogen atom as a leaving group can attach to substrates or reactants during the reaction, which then undergoes intramolecular ring closure. In this communication the MHIRC transformation of 4-benzylidene-3-phenylisoxazol-5(4H)-one and 1,3-dimethylbarbituric acid in the presence of N-bromosuccinimide and sodium acetate in EtOH at room temperature was carefully investigated to give novel 1,3-dimethyl-3′,5-diphenyl-1,5-dihydro-2H,5′H-spiro[furo[2,3-d]pyrimi- dine-6,4′-isoxazole]-2,4,5′(3H)-trione in a good yield. The structure of the new compound was confirmed by the results of elemental analysis as well as mass, nuclear magnetic resonance, and infrared spectroscopy.

Synthesizing Nuclear Magnetic Resonance (NMR) Outputs for Clastic Rocks Using Machine Learning Methods, Examples from North West Shelf and Perth Basin, Western Australia

A nuclear magnetic resonance (NMR) logging tool can provide important rock and fluid properties that are necessary for a reliable reservoir evaluation. Pore size distribution based on T2 relaxation time and resulting permeability are among those parameters that cannot be provided by conventional logging tools. For wells drilled before the 1990s and for many recent wells there is no NMR data available due to the tool availability and the logging cost, respectively. This study used a large database of combinable magnetic resonance (CMR) to assess the performance of several well-known machine learning (ML) methods to generate some of the NMR tool’s outputs for clastic rocks using typical well-logs as inputs. NMR tool’s outputs, such as clay bound water (CBW), irreducible pore fluid (known as bulk volume irreducible, BVI), producible fluid (known as the free fluid index, FFI), logarithmic mean of T2 relaxation time (T2LM), irreducible water saturation (Swirr), and permeability from Coates and SDR models were generated in this study. The well logs were collected from 14 wells of Western Australia (WA) within 3 offshore basins. About 80% of the data points were used for training and validation purposes and 20% of the whole data was kept as a blind set with no involvement in the training process to check the validity of the ML methods. The comparison of results shows that the Adaptive Boosting, known as AdaBoost model, has given the most impressive performance to predict CBW, FFI, permeability, T2LM, and SWirr for the blind set with R2 more than 0.9. The accuracy of the ML model for the blind dataset suggests that the approach can be used to generate NMR tool outputs with high accuracy.

High-precision nuclear magnetic resonance probe suitable for in situ studies of high-temperature metallic melts

High-temperature nuclear magnetic resonance (NMR) has proven to be very useful for detecting the temperature-induced structural evolution and dynamics in melts. However, the sensitivity and precision of high-temperature NMR probes are limited. Here we report a sensitive and stable high-temperature NMR probe based on laser-heating, suitable for in situ studies of metallic melts, which can work stably at the temperature of up to 2000 K. In our design, a well-designed optical path and the use of a water-cooled copper radio-frequency (RF) coil significantly optimize the signal-to-noise ratio (S/NR) at high temperatures. Additionally, a precise temperature controlling system with an error of less than ±1 K has been designed. After temperature calibration, the temperature measurement error is controlled within ±2 K. As a performance testing, 27Al NMR spectra are measured in Zr-based metallic glass-forming liquid in situ. Results show that the S/NR reaches 45 within 90 s even when the sample's temperature is up to 1500 K and that the isothermal signal drift is better than 0.001 ppm per hour. This high-temperature NMR probe can be used to clarify some highly debated issues about metallic liquids, such as glass transition and liquid-liquid transition.

Star-Shaped Polydimethylsiloxanes with Organocyclotetrasilsesquioxane Branching-Out Centers: Synthesis and Properties

New non-crystallizable low-dispersity star-shaped polydimethylsiloxanes (PDMS) containing stereoregular cis-tetra(organo)(dimethylsiloxy)cyclotetrasiloxanes containing methyl-, tolyl- and phenyl-substituents at silicon atoms and the mixture of four stereoisomers of tetra[phenyl(dimethylsiloxy)]cyclotetrasiloxane as the cores were synthesized. Their thermal and viscous properties were studied. All synthesized compounds were characterized by a complex of physicochemical analysis methods: nuclear magnetic resonance (NMR), FT-IR spectroscopy, gel permeation chromatography (GPC), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), viscometry in solution, rheometry, and Langmuir trough study.