Month: November 2022

Wingborg, Niklas published the artcileHeat of Formation of ADN-Based Liquid Monopropellants, Safety of N-Methylformamide, the main research area is ammonium dinitramide liquid monopropellant heat formation.

Energetic ionic liquids have obtained substantial attention the last decades as less toxic, or green, monopropellants to replace the carcinogenic and toxic hydrazine. Among the most promising hydrazine substitutes are propellants based on ammonium dinitramide, ADN, dissolved in a fuel/water mixture These types of propellants are single phase mixtures, and thus their heats of formation are influenced by the heats of solution and heats of mixing of the resp. components used. These enthalpy contributions have been measured for three different ADN-based propellants (LMP-103S, FLP-106 and FLP-107) and their specific impulses have been calculated The results show that ADN heat of solution must be considered in order to accurately calculate the specific impulse.

Propellants, Explosives, Pyrotechnics published new progress about Enthalpy Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Safety of N-Methylformamide.

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

Kumar, Rashmi published the artcileMeasurement of the Proton Affinities of a Series of Mono- and Biradicals of Pyridine, Formula: C2H5NO, the main research area is pyridine monoradical diradical proton affinity.

The proton affinity (PA) of a neutral mol. is defined as the neg. of the enthalpy change for the gas-phase reaction between a proton and the neutral mol. to produce the (charged) conjugate acid of the mol. PA is a fundamental property that is related to the structure of a mol. and affects its reactivity. Very few PA values are available for basic organic monoradicals and none for biradicals. Here, the PA values for several σ-type carbon-centered pyridine-based monoradicals and biradicals have been exptl. determined by monitoring proton transfer from the protonated mono- and biradicals to reference bases with known proton affinities as a function of time in Fourier-transform ion cyclotron resonance (FT-ICR) and linear quadrupole ion trap (LQIT) mass spectrometers. A procedure was developed for both instruments that permits differentiation between exo- and endothermic proton transfer reactions. The PA values of all the (bi)radicals studied were found to be lower than that of pyridine. This is rationalized based on the electron-withdrawing nature of the radical site(s). Thus, the PA values decrease in the order: pyridine > monoradicals > biradicals. The PA values of the monoradicals were also found to increase (making the protonated radicals less acidic) as the distance between the basic nitrogen atom and the radical site increases. Similar behavior was found for the biradicals, with one exception: 3,5-didehydropyridine has a larger PA (215.3 ± 3.3 kcal mol-1) than 3,4-didehydropyridine (PA = 213.4 ± 3.3 kcal mol-1) even though the latter biradical has one radical site farther away from the basic nitrogen atom. Quantum chem. calculations of the PAs of the (bi)radicals are in reasonably good agreement with the exptl. determined values. At the DFT (B3LYP), CCSD(T), and CASPT2 levels of theory, the mean unsigned errors are 2.3, 1.7, and 2.1 kcal mol-1.

Journal of the American Chemical Society published new progress about Collision-induced dissociation. 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

Cernicharo, J. published the artcileBroad-band high-resolution rotational spectroscopy for laboratory astrophysics, Application In Synthesis of 123-39-7, the main research area is laboratory astrophysics broad band high resolution rotational spectra; Methods: laboratory: molecular; Molecular processes; Plasmas; line: identification; molecular data.

We present a new exptl. set-up devoted to the study of gas phase mols. and processes using broad-band high spectral resolution rotational spectroscopy. A reactor chamber is equipped with radio receivers similar to those used by radio astronomers to search for mol. emission in space. The whole range of the Q (31.5-50 GHz) and W bands (72-116.5 GHz) is available for rotational spectroscopy observations. The receivers are equipped with 16 × 2.5 GHz fast Fourier transform spectrometers with a spectral resolution of 38.14 kHz allowing the simultaneous observation of the complete Q band and one-third of the W band. The whole W band can be observed in three settings in which the Q band is always observed Species such as CH3CN, OCS, and SO2 are detected, together with many of their isotopologues and vibrationally excited states, in very short observing times. The system permits automatic overnight observations, and integration times as long as 2.4 × 105 s have been reached. The chamber is equipped with a radiofrequency source to produce cold plasmas, and with four UV lamps to study photochem. processes. Plasmas of CH4, N2, CH3CN, NH3, O2, and H2, among other species, have been generated and the mol. products easily identified by the rotational spectrum, and via mass spectrometry and optical spectroscopy. Finally, the rotational spectrum of the lowest energy conformer of CH3CH2NHCHO (N-ethylformamide), a mol. previously characterized in microwave rotational spectroscopy, has been measured up to 116.5 GHz, allowing the accurate determination of its rotational and distortion constants and its search in space.

Astronomy & Astrophysics published new progress about Density Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application In Synthesis of 123-39-7.

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

Woelders, H. published the artcileFreezing chicken semen: Influence of base medium osmolality, cryoprotectants, cryoprotectant concentration, and cooling rate on post-thaw sperm survival, Computed Properties of 123-39-7, the main research area is freezing chicken sperm survival osmolality cryoprotectant cooling post thawing; CPA; CPA concentration; Chicken semen; Cooling rate; Cryopreservation; Dimethylacetamide; Extender; Freezing medium.

A classical chicken semen diluent (Lake′s 7.1 diluent) was modified to have lowered osmolalities (ranging from 290 to 410 mOsm/kg). The modified medium with physiol. osmolality of 325 mOsm/kg allowed cold storage of fresh semen for several days with very little loss of membrane integrity and motility, while high osmolalities inhibited motility. This modified medium was then used as base for freezing medium to test effects of the type and concentration of cryoprotective agent (CPA), and the cooling rate (CR). A number of CPAs (methylformamide, methylacetamide, DMF (DMF), dimethylacetamide (DMA), diethylformamide, and propylene glycol) were first compared by freezing semen with 0.6 mol/l of the resp. CPA at a cooling rate of 250 °C/min. Post-thaw motility and membrane integrity were highest with DMA and DMF. Finally, in more detailed factorial experiments, semen from individual cocks or pooled semen was frozen using CRs of 4, 50, 250, and 440 °C/min and DMA concentrations ([DMA]) of 0.4, 0.6, 1.0, and 1.5 mol/l. Straws from each semen sample x treatment combination were divided for semen assessment at three different research groups for sperm motility, membrane integrity, kinked tails, and DNA fragmentation, using microscopy, computer assisted motility anal., and flow cytometry. There were clear effects of both CR and [DMA] and their interaction. CRs 50 and 250 °C/min gave best post-thaw sperm performance. Higher DMA concentrations gave better post-thaw membrane integrity, but concentrations above 1.0 mol/l can decrease sperm velocity or even inhibit sperm motility. Therefore [DMA] may best be 0.6-1.0 mol/l at a CR of 50-250 °C/min.

Cryobiology published new progress about Cell survival. 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

Maiti, Panchanan published the artcileAmeliorative properties of boronic compounds inin vitro and in vivo models of Alzheimer′s disease, HPLC of Formula: 343338-28-3, the main research area is Alzheimers disease TPVA TBSA amyloid beta plaque GFAP neuroinflammation; Alzheimer’s disease; C. elegans; amyloid beta protein; amyloid plaque; boron compound; neurodegeneration; neuroinflammation.

Alzheimer′s disease (AD) is characterized by amyloid (Aβ) aggregation, hyperphosphorylated tau, neuroinflammation, and severe memory deficits. Reports that certain boronic compounds can reduce amyloid accumulation and neuroinflammation prompted us to compare trans-2-phenylvinyl-boronic-acid-MIDA-ester (TPVA) and trans-beta-styryl-boronic-acid (TBSA) as treatments of deficits in in vitro and in vivo models of AD. We hypothesized that these compounds would reduce neuropathol. deficits in cell-culture and animal models of AD. Using a dot-blot assay and cultured N2a cells, we observed that TBSA inhibited Aβ42 aggregation and increased cell survival more effectively than did TPVA. These TBSA-induced benefits were extended to C. elegans expressing Aβ42 and to the 5xFAD mouse model of AD. Oral administration of 0.5 mg/kg dose of TBSA or an equivalent amount of methylcellulose vehicle to groups of six- and 12-mo-old 5xFAD or wild-type mice over a two-month period prevented recognition- and spatial-memory deficits in the novel-object recognition and Morris-water-maze memory tasks, resp., and reduced the number of pyknotic and degenerated cells, Aβ plaques, and GFAP and Iba-1 immunoreactivity in the hippocampus and cortex of these mice. These findings indicate that TBSA exerts neuroprotective properties by decreasing amyloid plaque burden and neuroinflammation, thereby preventing neuronal death and preserving memory function in the 5xFAD mice.

International Journal of Molecular Sciences published new progress about Alzheimer disease. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, HPLC of Formula: 343338-28-3.

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

Wang, Wenran published the artcileProton Initiated Ligand Exchange Reactions for Colloidal Nanocrystals Functionalized by Inorganic Ligands with Extremely Weak Coordination Ability, Category: amides-buliding-blocks, the main research area is inorganic ligand nanocrystal.

Replacing initial long chain organic ligands by small, stable, and conductive inorganic ligands (ILs) via inorganic ligand exchange reaction (ILER) opens up new opportunities for the functionalization and application of colloidal nanocrystals (NCs). Although IL functionalized NCs have been successfully obtained via ILER for most ILs, some common anions, including F-, NO3-, SO42-, and ClO4- with extremely weak coordination ability, are hardly explored. Herein, we demonstrate for the first time the access of these IL capped NCs via ILER by using H+ as the electrophile reagent, which efficiently and irreversibly strips off the original organic ligands first. A long-term colloidal stability can be realized for these anion capped NCs via the replacement of H+ by other suitable monovalent counterions. It is believed that the successful capping with these hard ILs for soft NCs such as CdSe will not only promote the development of IL exchange theory and mechanism but also significantly enrich the toolbox of colloidal NCs and provide great opportunities in the design and construction of new NC-based devices.

Chemistry of Materials published new progress about IR spectra. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Category: amides-buliding-blocks.

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

Cash, Gordon G. published the artcilePrediction of inhibitory potencies of arenesulfonamides toward carbonic anhydrase using easily calculated molecular connectivity indices, Safety of 3-Acetylbenzenesulfonamide, the main research area is carbonic anhydrase inhibitor arenesulfonamide QSAR.

Previous literature reports described the correlation of arenesulfonamide inhibitory potency toward carbonic anhydrase with a quantum mech. descriptor, namely, the total charge on the sulfonamide oxygens, and an indicator variable. The present paper attempts to correlate the same inhibitory potency data with the much more easily calculated mol. connectivity indexes (MCIs) for the same set of compounds A good (r = 0.91) two-variable correlation was found for an subset, from which compounds with a certain structural characteristic had been excluded. This result is consistent with many previous reports that MCIs do well in predicting relative biol. activities of a homologous series of compounds but less well for groups of compounds that differ at several sites.

Structural Chemistry published new progress about QSAR (quantitative structure-activity relationship). 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Safety of 3-Acetylbenzenesulfonamide.

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

Cicco, Luciana published the artcileAddition of Highly Polarized Organometallic Compounds to N-tert-Butanesulfinyl Imines in Deep Eutectic Solvents under Air: Preparation of Chiral Amines of Pharmaceutical Interest, Recommanded Product: (S)-2-Methylpropane-2-sulfinamide, the main research area is primary amine preparation enantioselective; sulfinamide preparation chemoselective; sulfinyl imine organometallic compound nucleophilic addition; Grignard reagents; amines; deep eutectic solvents; imines; organolithium reagents.

Chiral N-tert-butanesulfinyl imines (CH3)3S(O)N=CHR (R = Ph, tert-Bu, benzyl, naphthalen-1-yl, etc.) are added smoothly to highly polarized organometallic compounds R1X (X = Li, MgCl; R1 = Me, Bu, prop-2-en-1-yl, Ph, etc.) of s-block elements in the biodegradable D-sorbitol/choline chloride eutectic mixture, thereby granting access to enantioenriched primary amines RCH(NH2)R1 after quant. removing the sulfinyl group. The practicality of the method is further highlighted by proceeding at ambient temperature and under air, with very short reaction times (2 min), enabling the preparation of diastereoisomeric sulfinamides R(R1)CHNHS(O)(CH3)3 in very good yields (74-98%) and with a broad substrate scope, and the possibility of scaling up the process. The method is demonstrated in the asym. syntheses of both the chiral amine side-chain of (R,R)-Formoterol (96% ee) and the pharmaceutically relevant (R)-Cinacalcet (98% ee).

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

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

Cheng, Cang published the artcilePalladium-catalyzed diastereoselective cross-coupling of two aryl halides via C-H activation: synthesis of chiral eight-membered nitrogen heterocycles, Computed Properties of 343338-28-3, the main research area is chiral eight membered nitrogen heterocycle diastereoselective preparation; aryl halide CH activation palladium catalyst cross coupling.

A method for the synthesis of enantiopure eight-membered nitrogen heterocycles, e.g., I was developed through diastereoselective cross-coupling of 2-iodobiphenyls with 2-bromobenzylamines. The products represented a novel type of chiral scaffold, which feature easy modification and high configurative stability and had the potential to be applied in asym. synthesis. Palladacycles that were formed via the C-H activation of 2-iodobiphenyls should act as the intermediates. The reaction provided a new strategy for the synthesis of medium-sized ring compounds

Chemical Communications (Cambridge, United Kingdom) published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Computed Properties of 343338-28-3.

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

Iusupov, Ildar R. published the artcileDesign of gp120 HIV-1 entry inhibitors by scaffold hopping via isosteric replacements, Application In Synthesis of 343338-28-3, the main research area is HIV gp120 inhibitor preparation antiviral; Drug discovery; HIV; Lead optimization; Screening; Synthesis; gp120.

We present the development of alternative scaffolds and validation of their synthetic pathways as a tool for the exploration of new HIV gp120 inhibitors based on the recently discovered inhibitor of this class, NBD-14136. The new synthetic routes were based on isosteric replacements of the amine and acid precursors required for the synthesis of NBD-14136, guided by mol. modeling and chem. feasibility anal. To ensure that these synthetic tools and new scaffolds had the potential for further exploration, we eventually tested few representative compounds from each newly designed scaffold against the gp120 inhibition assay and cell viability assays.

European Journal of Medicinal Chemistry published new progress about Antiviral agents. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Application In Synthesis of 343338-28-3.

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