Month: November 2022

Zou, Luyao published the artcileWindow function for chirped pulse spectroscopy with enhanced signal-to-noise ratio and lineshape correction, Quality Control of 123-39-7, the main research area is window function noise ratio lineshape correction.

In chirped pulse experiments, magnitude Fourier transform is used to generate frequency domain spectra. The application of window function as a tool for lineshape correction and signal-to-noise ratio (SnR) enhancement is rarely discussed in chirped spectroscopy, with the only exception of using Kaiser-Bessel window and trivial rectangular window. We present a specific window function, called “”Voigt-1D”” window, designed for chirped pulse spectroscopy. The window function corrects the magnitude Fourier-transform spectra to Voigt lineshape, and offers wide tunability to control the SnR and lineshape of the final spectral lines. We derived the math. properties of the window function, and evaluated the performance of the window function in comparison to the Kaiser-Bessel window on exptl. and simulated data sets. Our result shows that, compared with un-windowed spectra, the Voigt-1D window is able to produce 100% SnR enhancement on average

Journal of Quantitative Spectroscopy & Radiative Transfer published new progress about Flexibility. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Quality Control of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Norton, David published the artcileFragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction, Name: 5-Bromo-N,N-dimethylnicotinamide, the main research area is pyrazole carboxylic acid inhibitor KEAP1 NRF2 protein interaction.

The NRF2-mediated cytoprotective response is central to cellular homeostasis, and there is increasing interest in developing small-mol. activators of this pathway as therapeutics for diseases involving chronic oxidative stress. The protein KEAP1, which regulates NRF2, is a key point for pharmacol. intervention, and we recently described the use of fragment-based drug discovery to develop a tool compound that directly disrupts the protein-protein interaction between NRF2 and KEAP1. We now present the identification of a second, chem. distinct series of KEAP1 inhibitors, which provided an alternative chemotype for lead optimization. Pharmacophoric information from our original fragment screen was used to identify new hit matter through database searching and to evolve this into a new lead with high target affinity and cell-based activity. We highlight how knowledge obtained from fragment-based approaches can be used to focus addnl. screening campaigns in order to de-risk projects through the rapid identification of novel chem. series.

Journal of Medicinal Chemistry published new progress about Drug design. 292170-96-8 belongs to class amides-buliding-blocks, name is 5-Bromo-N,N-dimethylnicotinamide, and the molecular formula is C8H9BrN2O, Name: 5-Bromo-N,N-dimethylnicotinamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Rahimpour, Elaheh published the artcileUtilizing Abraham and Hansen solvation parameters for solubility prediction of meloxicam in cosolvency systems, Quality Control of 123-39-7, the main research area is meloxicam cosolvency system solubility Abraham Hansen solvation parameter.

In the present study, the Jouyban-Acree model as an accurate math. model is investigated for prediction of meloxicam solubility in some previously reported cosolvency systems. In order to achieve predictive cosolvency models, the Jouyban- Acree model are combined with physicochem. parameters of the Abraham solvation parameters and the Hansen solubility parameters. The overall mean relative deviations (MRDs%) values for the meloxicam in the investigate cosolvency systems are computed and discussed.

Journal of Molecular Liquids published new progress about Dissolution. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Quality Control of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Kempson, James published the artcileSynthesis Optimization, Scale-Up, and Catalyst Screening Efforts toward the MGAT2 Clinical Candidate, BMS-963272, Safety of (S)-2-Methylpropane-2-sulfinamide, the main research area is tetrazolyltolyl trifluorobutoxyphenyl trifluoromethyl dihydropyridinone enantioselective preparation.

This paper describes the efficient scale-up synthesis of 1 (BMS-963272) which relies upon a highly selective Mannich-type alkylation strategy to stereospecifically install a quaternary carbon center. An intramol. cyclization reaction was also used to form the aryl dihydropyridone (ADHP) core. The optimized route was demonstrated to provide more than 100 g of active pharmaceutical ingredient for preclin. toxicol. evaluation. A catalyst screening effort was also discussed as part of a complimentary convergent approach which will facilitate a more expedient assessment of back-up mols. bearing aryl diversity at the C4-position of the ADHP core.

Organic Process Research & Development published new progress about Cyclization. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Safety of (S)-2-Methylpropane-2-sulfinamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Chen, Wen published the artcileTotal synthesis of (-)-vindoline, Name: (S)-2-Methylpropane-2-sulfinamide, the main research area is vindoline synthesis.

In this full paper, a stereocontrolled strategy for the total synthesis of (-)-vindoline is described. This synthetic route features: (1) rapid construction of the stereochem. center at C19 through a highly diastereoselective vinylogous Mannich addition; (2) tandem Heathcock/aza-Prins cyclization to install rings C and E in vindoline; (3) oxidative transformation of β-ketoester to enone; (4) stereoselective inversion of C4 stereochem. with triphenylphosphine and carbon tetrabromide followed by Bronsted acid.

Tetrahedron published new progress about Cyclization. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Name: (S)-2-Methylpropane-2-sulfinamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Ray, Aniruddha published the artcileMixed Dimethylammonium/Methylammonium Lead Halide Perovskite Crystals for Improved Structural Stability and Enhanced Photodetection, Computed Properties of 123-39-7, the main research area is dimethylammonium methylammonium lead bromide perovskite crystal stability optical detection; dimethylammonium; perovskite crystals | perovskites; photodetectors; temperature-dependent properties.

The solvent acidolysis crystallization technique is used to grow mixed dimethylammonium/methylammonium lead tribromide (DMA/MAPbBr3) crystals reaching the highest dimethylammonium incorporation of 44% while maintaining the 3D cubic perovskite phase. These mixed perovskite crystals show suppression of the orthorhombic phase and a lower tetragonal-to-cubic phase-transition temperature compared to MAPbBr3. A distinct behavior is observed in the temperature-dependent luminescence properties of MAPbBr3 and mixed DMA/MAPbBr3 crystals due to the different organic cation dynamics governing the phase transition(s). Lateral photodetectors based on these crystals show that, at room temperature, the mixed crystals possess higher detectivity compared to MAPbBr3 crystals caused by structural compression and reduced surface trap d. The mixed-crystal devices exhibit large enhancement in their detectivity below the phase-transition temperature (at 200 K), while for the MAPbBr3 devices only insignificant changes are observed The high detectivity of the mixed crystals makes them attractive for visible-light communication and for space applications. The results highlight the importance of the synthetic technique for compositional engineering of halide perovskites that governs their structural and optoelectronic properties.

Advanced Materials (Weinheim, Germany) published new progress about Compression. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Computed Properties of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Castelli, Andrea published the artcileRevealing Photoluminescence Modulation from Layered Halide Perovskite Microcrystals upon Cyclic Compression, Name: N-Methylformamide, the main research area is layered hybrid halide perovskite microcrystals cyclic compression photoluminescence piezooptical; mechanical cycles; perovskite 2D microcrystals; photoluminescence; pressure.

Halide perovskites show promise for high-efficiency solar energy conversion and light-emitting diode devices owing to their bandgap, which falls within the visible optical range. However, due to their rigidity, GPa pressures are necessary to control the complex interplay between their electronic and crystallog. structure. Layered perovskites are likely to be controlled using much lower pressures by exploiting the optical anisotropy of the embedded organic mols. in the structure. This work introduces layered perovskite microplatelets and demonstrates the extreme sensitivity of their emission to cyclic mech. loading in the range of tens of MPa. A drastic change in their emission is observed in situ, from near-white to an enhanced blue color. This process is reversible, as is evident from a hysteresis loop in the photoluminescence (PL) intensity of the microplatelets. A combination of exptl. anal. and computational modeling shows that such behavior cannot be attributed to changes in the crystallog. structure of the flakes. Instead, it suggests that, thanks to their structural anisotropy, microplate alignment and reorientation are responsible for the observed PL modulation. The possibility to tune the optical emission of layered perovskite crystals via low pressures makes them highly interesting as active materials in applications where stress sensing or light modulation is desired.

Advanced Materials (Weinheim, Germany) published new progress about Compression. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Name: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Hu, Ssu-Wei published the artcileDirected self-propulsion of droplets on surfaces absent of gradients for cargo transport, Formula: C2H5NO, the main research area is self propulsion drop; Creation of deep grooves; Long-ranged transport; Manipulated self-propulsion of liquid droplets; Marangoni stress; Transport of liquid cargo; Ultra-low contact angle hysteresis.

Manipulating droplet transportation without inputting work is desired and important in microfluidic systems. Although the creation of wettability gradient on surfaces has been employed to achieve this goal, the transport distance is very limited, hindering its applications in long-term operations. Here, we show that programming long-ranged transport of droplets on surfaces can be achieved by the addition of trisiloxane surfactants and the creation of deep grooves. The former provides Marangoni stress to actuate the droplet motion and also reduces the inherent contact line pinning. The latter acts as a railing to guide the motion of surfactant-laden droplets to follow various layouts with geometric features of roads. It is found that the droplets with microliters can move over 20 cm. This work-free method is applicable to a variety of substrate materials and liquids By using self-running shuttles, a convenient platform for liquid cargos transport is developed and demonstrated. Moreover, the coalescence of cargos carried by different shuttles is accomplished in a three-branch layout, revealing new droplet microreactors.

Journal of Colloid and Interface Science published new progress about Coalescence. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Formula: C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Biswas, Sohag published the artcileProbing the vibrational dynamics of amide bands of N-methylformamide, N, N-dimethylacetamide, and N-methylacetamide in water, SDS of cas: 123-39-7, the main research area is methylformamide dimethylacetamide methylacetamide amide band vibratonal dynamics.

We report the vibrational dynamics of amide modes of N-methylformamide (NMF), N-methylacetamide (NMA), and N, N-dimethylacetamide (DMA) in water using first principles mol. dynamics simulations. The solvent-mediated dynamics and stretching profile of C=O, N-H, and C-N modes of amide mols. were analyzed in terms of vibrational spectral and second-order reorientational dynamical properties. The maximum red shift is observed for the amide I band of DMA due to stronger DMA-water hydrogen bonding interaction; a blue shift is observed for NMF. The calculations also reveal that the amide-A band of NMF exhibits a red shift as compared to NMA. Multiple peaks are located for the C-N band of DMA, and this feature gradually decreases for NMA and NMF. Spectral dynamics of amide bands were investigated by calculating the frequency-frequency correlation functions. Slowest spectral diffusion is found for the C=O band of DMA. However, NMA shows slower dynamics for N-H band than that of NMF.

Computational & Theoretical Chemistry published new progress about Bond length. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, SDS of cas: 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Apolinario, Arlete published the artcileTailoring the anodic hafnium oxide morphology using different organic solvent electrolytes, Product Details of C2H5NO, the main research area is hafnium oxide electrochem anodization organic solvent electrolyte morphol; HfO2; anodic hafnium oxide; anodic oxide; anodization; dielectric; nanoporous; nanotubes; organic solvent; viscosity.

Highly ordered anodic hafnium oxide (AHO) nanoporous or nanotubes were synthesized by electrochem. anodization of Hf foils. The growth of self-ordered AHO was investigated by optimizing a key electrochem. anodization parameter, the solvent-based electrolyte using: Ethylene glycol, DMSO, formamide and N-methylformamide organic solvents. The electrolyte solvent is here shown to highly affect the morphol. properties of the AHO, namely the self-ordering, growth rate and length. As a result, AHO nanoporous and nanotubes arrays were obtained, as well as other different shapes and morphologies, such as nanoneedles, nanoflakes and nanowires-agglomerations. The intrinsic chem.-phys. properties of the electrolyte solvents (solvent type, dielec. constant and viscosity) are at the base of the properties that mainly affect the AHO morphol. shape, growth rate, final thickness and porosity, for the same anodization voltage and time. We found that the interplay between the dielec. and viscosity constants of the solvent electrolyte is able to tailor the anodic oxide growth from continuous-to-nanoporous-to-nanotubes.

Nanomaterials published new progress about Anodization. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Product Details of C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics