Tag: M.W=50-100

Mako, Eva published the artcileNanoscale structural and morphological features of kaolinite nanoscrolls, Computed Properties of 123-39-7, the main research area is kaolinite nanoscroll nanoscale structural morphol feature.

One-dimensional kaolinite nanoscrolls have been arousing great interest due to their applicability in advanced materials for adsorption and slow release of reagents, as well as in nanoscale reactors and carriers. Production of high-quality halloysite-like nanoscrolls with controlled morphol., however, remains challenging as there is a lack of understanding of the curling process of kaolinite layers on the at. scale. In the present work, the nanoscrolls were efficiently produced from the readily available natural kaolinite using a two-pot solvothermal exfoliation of the kaolinite-dimethyl sulfoxide, kaolinite-urea, and kaolinite-N-methylformamide precursors. The structures, sizes, shapes and crystallog. properties of the produced halloysite-like nanoscrolls were characterized using X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM) and electron tomog. in scanning transmission mode (STEM). In order to avoid structural disintegration of the highly electron beam-sensitive nanoscrolls, we used a low imaging current (70-240 e/A2); as a result, the acquisition of structure images was possible. In contrast to the triclinic symmetry of kaolinite, electron diffraction patterns suggest a hexagonal symmetry of exfoliated layers. Both HRTEM and STEM tomog. show partially and completely rolled up layers, with the axis of curvature being parallel to either the a or b axes. The methanol-grafted nanoscrolls have a variable but larger basal spacing (from 0.76 to 0.90 nm) than the value in ordered kaolinite (0.72 nm). Their external diameters range from 22 to 75 nm, lengths from 218 to 2287 nm, aspect ratios from 5 to 74, and the scrolls have recognizable chirality. Crystallog. image processing of HRTEM structure images suggest that the tetrahedral sheet can be on either the outer or the inner sides of the nanoscrolls. Mol. simulation results for the curled kaolinite layers are consistent in their details with the exptl. observations, suggesting that the layers may roll up either way.

Applied Clay Science published new progress about Cell morphology. 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

Kumar, Mukesh published the artcilePhysicochemical parameters of the binary mixtures of formamide/N-methylformamide with 2-chloroethanol at different temperatures, SDS of cas: 123-39-7, the main research area is formamide methylformamide chloroethanol binary mixture temperature physicochem property.

The pseudo-Gruneisen parameter , effective Debye temperature, acoustic nonlinearity parameter , internal pressure and isobaric thermal expansion coefficient have been evaluated for binary liquid mixtures of formamide (FA) and N-methylformamide (NMF) with 2-chloroethanol (2Cl-OH) at 298.15 K, 308.15 K and 318.15 K, over the entire concentration range. The excess pseudo-Gruneisen parameter ΓE, excess effective Debye temperature θED , excess nonlinearity parameter (B/A)E, excess internal pressure PEIn and excess isobaric thermal expansion coefficient αEwere also calculated The calculated values are reasonably satisfactory with the exptl. results on sound propagation data of liquid mixtures These physicochem. parameters play an important role in understanding of the significance of anharmonic and nonlinear behavior with regard to intermol. interactions in the liquid mixtures

Physics and Chemistry of Liquids published new progress about Compressibility. 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

Mukesh, B. published the artcileThermodynamic, DFT and molecular dynamics studies of intermolecular interactions between 2-methoxyaniline and N- substituted amide mixtures, Quality Control of 123-39-7, the main research area is intermol interaction methoxyaniline substituted amide mixture mol dynamic.

The exptl. data of d.(ρ) and speed of the sound(u) of 2-methoxyaniline and N-alkyl amides binary liquid mixtures have been evaluated at temperatures T = (303.15 to 318.15) K. Values of excess molar volume (VEm), excess isentropic compressibility (kEs), excess partial molar volumes (V̅Em,1,V̅Em,2), and excess partial molar volumes at infinite dilution(V̅E,∞m,1,V̅E,∞m,2) over the whole composition range have been calculated by using the d. and the speed of sound measurements. The calculated excess parameters were used to discuss the intermol. interactions. A quantum mech. approach was performed in gas phase and classical mol. dynamic simulations were done in liquid phase to study the intermol. interactions in self and cross-associated complexes. The details of exptl., quantum mech. and classical mol. dynamic methods are used to investigate the formation of a hydrogen-bonded network between 2-methoxyaniline and N-alkyl amide mixtures

Chemical Data Collections published new progress about Compressibility. 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

Fujiwara, Nobuyuki published the artcileEvaluation of influence of fine particle surface modification with Hansen solubility parameters, Category: amides-buliding-blocks, the main research area is fine particle surface modification solubility silane coupling agent.

In this study, we determined the Hansen solubility parameters (HSPs) of metal fine particles by experiments based on the Hansen solubility sphere method. A silane coupling treatment was applied to the metal fine particles to determine the HSPs from their dispersibilities. We examined changes in the HSP values after treatment by a silane coupling. We confirmed that the treatment with silane coupling agents, caused the HSPs of the particles to tend towards the HSPs of the surface treatment agent. We suggest that HSP theory is useful for selection of silane coupling agents.

Materials Chemistry and Physics published new progress about Coupling agents. 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

Di Girolamo, Diego published the artcileSolvents for Processing Stable Tin Halide Perovskites, Application In Synthesis of 123-39-7, the main research area is solvent processing stable tin halide perovskite.

Tin is one of the most promising alternatives to lead to make lead-free halide perovskites for optoelectronics. However, the stability of tin-based perovskites is hindered by the oxidation of Sn(II) to Sn(IV). Recent works established that DMSO, which is one of the best-performing solvents for processing perovskite, is the primary source of tin oxidation The quest for a stable solvent could be a game-changer in the stability of tin-based perovskites. Starting from a database of over 2000 solvents, we identified a series of 12 new solvents suitable for the processing of formamidinium tin iodide perovskite (FASnI3) by investigating (1) the solubility of the precursor chems. FAI and SnI2, (2) the thermal stability of the precursor solution, and (3) the possibility of forming perovskite. Finally, we demonstrate a new solvent system to produce solar cells outperforming those based on DMSO. Our work provides guidelines for further identification of new solvents or solvent mixtures for preparing stable tin-based perovskites.

ACS Energy Letters published new progress about Crystallization. 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

Machida, Shingo published the artcileA novel approach to characterization of a relatively unstable intercalation compound under ambient conditions: revisiting a kaolinite-acetone intercalation compound, Name: N-Methylformamide, the main research area is kaolinite acetone intercalation hydrogen bond.

Characteristics of a kaolinite-acetone intercalation compound prepared using a kaolinite N-methylformamide intercalation compound (Kaol-NMF) as an intermediate were obtained by a set of techniques with attention to suppressing evaporation and deintercalation of acetone. X-ray diffraction (XRD) with spectroscopic analyses, Fourier-transform IR spectroscopy (FTIR) accompanied by solid-state 13C and 29Si NMR (NMR) spectroscopy with cross polarization (CP) and magic angle spinning (MAS) enable us to demonstrate full replacement of a pre-intercalated NMF monolayer with an acetone monolayer between the layers of kaolinite with an increase in the basal spacing from 1.08 nm (Kaol-NMF) to 1.12 nm. In addition, the appearance of an addnl. OH stretching band at 3630 cm-1 and the shift of the C=O stretching band to a lower wavenumber, from 1714 to 1701 cm-1, in the FTIR spectrum, along with a downfield shift of the signal due to C=O groups from 209 ppm, where a singlet was observed in the liquid-state 13C NMR spectrum of acetone in CDCl3, to 219 ppm in the 13C CP/MAS NMR spectrum, indicate hydrogen bond formation between interlayer hydroxyl groups of kaolinite and C=O groups of the intercalated acetone mols. These careful characterization studies provide information on an interaction between kaolinite and acetone under ambient conditions.

Dalton Transactions published new progress about Deintercalation. 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

Farand, Julie published the artcileDiscovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation, Product Details of C2H3F2NO, the main research area is antitumor drug target MTH1 inhibitor preparation tetrahydro naphthyridine derivative.

We describe the discovery of three structurally differentiated potent and selective MTH1 inhibitors and their subsequent use to investigate MTH1 as an oncol. target, culminating in target (in)validation. Tetrahydronaphthyridine 5 was rapidly identified as a highly potent MTH1 inhibitor (IC50 = 0.043 nM). Cocrystn. of 5 with MTH1 revealed the ligand in a Φ-cis-N-(pyridin-2-yl)acetamide conformation enabling a key intramol. hydrogen bond and polar interactions with residues Gly34 and Asp120. Modification of literature compound TH287 with O- and N-linked aryl and alkyl aryl substituents led to the discovery of potent pyrimidine-2,4,6-triamine 25 (IC50 = 0.49 nM). Triazolopyridine 32 emerged as a highly selective lead compound with a suitable in vitro profile and desirable pharmacokinetic properties in rat. Elucidation of the DNA damage response, cell viability, and intracellular concentrations of oxo-NTPs (oxidized nucleoside triphosphates) as a function of MTH1 knockdown and/or small mol. inhibition was studied. Based on our findings, we were unable to provide evidence to further pursue MTH1 as an oncol. target.

ACS Medicinal Chemistry Letters published new progress about Antitumor agents. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Product Details of C2H3F2NO.

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

Futaki, Kentaro published the artcileSynthesis and Biological Activities of Aplyronine A Analogues toward the Development of Antitumor Protein-Protein Interaction Inducers between Actin and Tubulin: Conjugation of the C1-C9 Macrolactone Part and the C24-C34 Side Chain, Synthetic Route of 123-39-7, the main research area is aplyronine A analog preparation antitumor protein protein interaction inducer; structure activity aplyronine A analog protein protein interaction inducer.

Aplyronine A (ApA) is an antitumor marine macrolide that induces protein-protein interaction (PPI) between actin and tubulin. The C1-C9 macrolactone part including the C7 N,N,O-trimethylserine (TMSer) ester is important for its highly potent activities. To develop new antitumor PPI inducers, four aplyronine analogs were synthesized, which bear the C1-C9 macrolactone part with 0-2 TMSer ester(s) and the C24-C34 actin-binding side-chain. Despite exhibiting potent actin-depolymerizing activity comparable to that of ApA, these analogs did not show potent cytotoxicity or depolymerize microtubules. Mol. modeling studies suggested that the whole macrolactone moiety of aplyronines was important to fix the conformation of the C7 TMSer ester moiety, while the linear C1-C9 part was insufficient. Still, our study newly proposed that fixed conformations of the C7 or C9 TMSer esters in aplyronines that protrude from the actin surface are important for binding to tubulin and inhibit microtubule dynamics.

ACS Omega published new progress about Antitumor agents. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Synthetic Route of 123-39-7.

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

Chand, Apramita published the artcileHydrogen bonding structure and dynamics of cis- and trans- conformers of N-methylformamide in water, DMSO and water-DMSO mixtures at varying compositions, Safety of N-Methylformamide, the main research area is methylformamide water DMSO mixture composition hydrogen bonding structure.

The local hydrogen bonding structure and dynamics of cis- and trans- N-methylformamide (NMF) in water, DMSO and in water-DMSO mixture is investigated by classical mol. dynamics simulations. We have considered five different concentrations of NMF in water as well as in DMSO at 298 K. In the case of NMF (XNMF = 0.20) in water-DMSO mixtures, we have considered six different concentrations, varying from NMF in pure water to DMSO. It is observed that the donating ability of amide-hydrogen of NMF to the oxygen of DMSO is higher compared to the oxygen of water. The variation of DMSO shows negligible effects on the HNMF…ODMSO radial distribution function (RDF), whereas the HNMF…OWAT decreases with the addition of water to the solution In the case of NMF in water-DMSO mixtures, the addition of DMSO strengthens the HNMF…ODMSO as well as HNMF…OWAT correlation, but it differently affects for cis- and trans- NMF in the solution DMSO prefers cis- conformer, whereas water prefers trans- NMF. In NMF-water-DMSO mixtures, the addition of DMSO strengthens HWAT…ONMF up to intermediate DMSO concentration, but at very high DMSO concentration, it decreases due to preferable HNMF…ODMSO interaction. The probability of hydrogen bonding between NMF-NMF is higher in NMF-DMSO solution compared to NMF-water. The dynamical slowdown is observed for all the species in water-NMF mixtures at intermediate concentration, whereas in the case of NMF-DMSO solution, faster dynamics are observed with the addition of DMSO. For NMF in water-DMSO mixtures, the dynamical slowdown is observed as DMSO is added to the NMF-water solution Our calculated hydrogen-bond lifetime suggested that the DMSO forms a stronger hydrogen bond with cis-NMF whereas water generally prefers trans-NMF.

Journal of Molecular Liquids published new progress about Antitumor agents. 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

Popelier, P. L. A. published the artcileQSAR models based on quantum topological molecular similarity, Recommanded Product: 2,2-Difluoroacetamide, the main research area is QSAR model quantum topol similarity.

A new method called quantum topol. mol. similarity (QTMS) was fairly recently proposed [J. Chem. Inf. Comp. Sc., 41, 2001, 764] to construct a variety of medicinal, ecol. and phys. organic QSAR/QSPRs. QTMS method uses quantum chem. topol. (QCT) to define electronic descriptors drawn from modern ab initio wave functions of geometry-optimized mols. It was shown that the current abundance of computing power can be utilized to inject realistic descriptors into QSAR/QSPRs. In this article the authors study seven datasets of medicinal interest: the dissociation constants (pKa) for a set of substituted imidazolines, the pKa of imidazoles, the ability of a set of indole derivatives to displace [3H] flunitrazepam from binding to bovine cortical membranes, the influenza inhibition constants for a set of benzimidazoles, the interaction constants for a set of amides and the enzyme liver alc. dehydrogenase, the natriuretic activity of sulfonamide carbonic anhydrase inhibitors and the toxicity of a series of benzyl alcs. A partial least square anal. in conjunction with a genetic algorithm delivered excellent models. They are also able to highlight the active site, of the ligand or the mol. whose structure determines the activity. The advantages and limitations of QTMS are discussed.

European Journal of Medicinal Chemistry published new progress about Antiviral agents. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Recommanded Product: 2,2-Difluoroacetamide.

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