Author: Jessica.F

Selvakumari, S. published the artcileDonor acceptor groups effect, polar protic solvents influence on electronic properties and reactivity of 2-Chloropyridine-4-carboxylic acid, Quality Control of 6313-54-8, the publication is Journal of the Indian Chemical Society (2022), 99(6), 100478, database is CAplus.

The computational reckoning of 2-Chloropyridine-4-carboxylic acid (2CP4CA) was accomplished employing DFT/B3LYP with the root set as 6-311++G(d, p). The impact of polar protic solvents which are eco-friendly solvents (water, methanol, ethanol, 1-propanol) on 2CP4CA were analyzed. To examine the solvent effect, vibrational investigations and NLO reports of 2CP4CA in dissimilar solvents were executed. Geometrical properties were also established in gas phase for 2CP4CA. Exercising VEDA program, the entire vibrational assignment was accomplished. Donor-acceptor exchanges were ascertained utilizing NBO scrutiny technique. Thermodn. properties of 2CP4CA were analyzed at different temperatures By applying TD – DFT approach, theoretic UV-Vis absorption spectrum was procured in different solvents. In order to evaluate the complete electron concentration and sensitive spots of 2CP4CA, MEP coupled with FMO analyzes were employed. HOMO along with LUMO orbitals and energy band gap were acquired for 2CP4CA employing dissimilar polar protic solvents. Addnl., ELF, LOL and charge transfer studies were also executed. RDG anal. has been exercised for revealing non-covalent interactions.

Journal of the Indian Chemical Society published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C14H31NO2, Quality Control of 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Shelly, Kevin P. published the artcileGeneral acid catalysis in the enolization of acetone, Application In Synthesis of 6249-56-5, the publication is Canadian Journal of Chemistry (1989), 67(8), 1274-82, database is CAplus.

Iodometry was used to study the enolization of acetone in water catalyzed by HCl, MeSO₃H, 24 aliphatic monocarboxylic acids, nine aromatic monocarboxylic acids, eight aliphatic dicarboxylic acids, and 20 monoanions of dicarboxylic acids. The log k-pK profile for unbuffered solutions of strong and moderately strong acids shows a maximum near pK â‰?0. The Broensted α value for a set of eight aliphatic monocarboxylic acids in which effects of bulk, charge, and polarizability are at a min. is 0.56. Steric effects, probably augmented by polarizability effects in some cases, cause pos. deviations form the Broensted line drawn with respect to these standard acids. Anionic carboxylic acids are also more reactive than would be predicted from their equilibrium acid strengthens, whereas cationic acids tend to be less reactive. Using D₂O as solvent has only a small effect on the rate of carboxylic acid catalysis. Using acetone-d₆ gives values of k_H/k_D in the range of 7.0-8.0 at 25°, values consistent with a proton or deuteron being transferred between two bases of comparable strength, the carboxylate anion and the enol form of acetone.

Canadian Journal of Chemistry published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C8H5F3O3, Application In Synthesis of 6249-56-5.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

de Lucas, Ana I. published the artcileScaffold Hopping to Imidazo[1,2-a]pyrazin-8-one Positive Allosteric Modulators of Metabotropic Glutamate 2 Receptor, Computed Properties of 1860005-05-5, the publication is ACS Omega (2021), 6(35), 22997-23006, database is CAplus and MEDLINE.

Glutamate hyperfunction is implicated in multiple neurol. and psychiatric diseases. Activation of the mGlu2 receptor results in reduced glutamate release and decreased excitability representing a promising novel therapeutic agent for the treatment of disorders such as epilepsy, schizophrenia, mood, anxiety, and other neuropsychiatric disorders. We have previously reported substantial efforts leading to potent and selective mGlu2 PAMs from different chem. series. Herein, the discovery and optimization of a novel series of imidazopyrazinone mGlu2 PAMs are reported. This new scaffold originated from computational searching of fragment databases and comparison with our previously explored scaffolds. Optimization guided by our robust understanding of SAR from former series led to potent, selective, and brain-penetrant compounds

ACS Omega published new progress about 1860005-05-5. 1860005-05-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronate Esters,Boronate Esters, name is 2-(3-Chloro-4-(cyclopropylmethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C16H22BClO3, Computed Properties of 1860005-05-5.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Presa, Andreu published the artcilePhotoactivation of the Cytotoxic Properties of Platinum(II) Complexes through Ligand Photoswitching, Application of 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, the publication is Inorganic Chemistry (2018), 57(7), 4009-4022, database is CAplus and MEDLINE.

The development of photoactivatable metal complexes with potential anticancer properties is a topical area of current investigation. Photoactivated chemotherapy (PACT) using coordination compounds is typically based on photochem. processes occurring at the metal center. In the present study, an innovative approach is applied that takes advantage of the remarkable photochem. properties of diarylethenes. Following a proof-of-concept study with two complexes, namely C1 and C2, a series of addnl. platinum(II) complexes from dithienylcyclopentene-based ligands have been designed and prepared Like C1 and C2, these new coordination compounds exhibit two thermally stable, interconvertible photoisomers that display distinct properties. The photochem. behavior of ligands L3-L7 has been analyzed by 1H NMR and UV-vis spectroscopy. Subsequently, the corresponding platinum(II) complexes C3-C7 have been synthesized and fully characterized, including by X-ray diffraction for some of them. Next, the interaction of each photoisomer (i.e., containing the open or closed ligand) of the metal complexes with DNA has been examined thoroughly using various techniques, revealing their distinct DNA-binding modes and affinities, as observed for the earlier compounds C1 and C2. The antiproliferative activity of the two forms of the complexes has then been assessed with five cancer cell lines and compared with that of C1 and C2, which supported the use of such diarylethene-based systems for the generation of a new class of potential photochemotherapeutic metallodrugs.

Inorganic Chemistry published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Application of 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Ghosh, Harisadhan published the artcileSynthesis of axially chiral 1,8-diarylnaphthalene ligands and application in asymmetric catalysis: an intriguing fluorine effect, HPLC of Formula: 21286-54-4, the publication is Tetrahedron: Asymmetry (2015), 26(2-3), 79-84, database is CAplus.

A fluorinated and a non-fluorinated axially chiral 1,8-diarylnaphthalene ligand have been synthesized through an Ullmann and Suzuki coupling reaction based strategy. A practical methodol. for the successful chiral resolution of the newly synthesized catechol based moiety is presented. The authors also disclose the preliminary application of these axially chiral mols. as ligands in asym. transformation reactions. The synthesis of the target compounds was achieved by a reaction of 1,8-diiodonaphthalene with 1,2,3,4,5-pentafluoro-6-(iodo)benzene and formation of 1-iodo-8-(pentafluorophenyl)naphthalene. A Suzuki coupling of this aryl iodide with (2,3,6-trimethoxyphenyl)boronic acid gave a biaryl which was deprotected and resolved to deliver axially chiral biaryls 4-methoxy-3-[(1S)-8-(pentafluorophenyl)-1-naphthalenyl]-1,2-benzenediol and 4-methoxy-3-[(1R)-8-(pentafluorophenyl)-1-naphthalenyl]-1,2-benzenediol which was transformed into chiral titanium complexes.

Tetrahedron: Asymmetry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, HPLC of Formula: 21286-54-4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lisetski, L. N. published the artcileEffects of membranotropic agents on mono- and multilayer structures of dipalmitoylphosphatidylcholine, SDS of cas: 38146-42-8, the publication is European Biophysics Journal (2002), 31(7), 554-558, database is CAplus and MEDLINE.

We have studied the action of some membranotropic agents (MTAs) on the parameters of mono- and multilayers of dipalmitoylphosphatidylcholine (DPPC). The MTAs used included an antimicrobial drug, decamethoxinum, the model amphiphilic agent stearoyl-L-α-alanine, and cholesterol as a reference substance. Using differential scanning calorimetry and the Langmuir monolayer technique, we measured the temperature and enthalpy of the main phase transition of DPPC, the mean mol. area, the collapse pressure and the free energy of the mixed monolayers of DPPC and MTA. A good correlation has been obtained between the structure of the MTA used and changes in the parameters of both mono- and multilayers. Thus, for cholesterol, its well-known condensing effect in the L_α phase correlates with its behavior in the mixed monolayers. The disturbing action of decamethoxinum (depression of the phase transition in DPPC multilayers and relatively high free energy of mixing in monolayers) is presumably connected with interaction of its charged ammonium moieties with polar phospholipid heads. At the same time, stearoyl-L-α-alanine condensed the lipid layers and increased the m.p. of DPPC, owing to its interaction with both polar and non-polar lipid moieties. One can conclude that the three MTAs used can really be considered as representative examples of three different types of behavior in mono- and multilayers.

European Biophysics Journal published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, SDS of cas: 38146-42-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Rodrigues, Elsa T. published the artcileCell-based assays as an alternative for the study of aquatic toxicity of pharmaceuticals, Formula: C12H15ClO3, the publication is Environmental Science and Pollution Research (2020), 27(7), 7145-7155, database is CAplus and MEDLINE.

An increasing number and amount of pharmaceuticals for human and veterinary use currently reach the aquatic environment, and the determination of their effects on aquatic organisms becomes of major importance. The 96-h fish lethal test is one of the conventional assays required for environmental hazardous assessment, but it is extremely time-consuming and costly, and it raises ethical concerns. In a broad study, we compared the ability of cell-based assays to detect, in absolute terms, lethal toxicity in fish due to pharmaceuticals in order to select sensitive cell lines to be posteriorly used as an alternative to fish testing. This study also explored the sensitivity of the rat cardiomyoblast H9c2(2-1) cell line and the suitability of the sulforhodamine B colorimetric assay regarding 15 pharmaceuticals belonging to 9 different therapeutic classes. The relation between in vivo and in vitro data was expressed as LC_50,96h/EC₅₀ ratios, and 66% of concordant data were attained. Accordingly, it was possible to conclude that cell-based assays could be considered a suitable alternative to fish lethal testing for pharmaceuticals, which, after validation, may dramatically reduce the number of fish required for environmental hazardous assessment. Several cell lines were selected as promising alternatives, but H9c2(2-1), HepG2, PLHC-1, and RTG-2 could be considered suitable starting cell types for further studies, as relevant results were obtained with low exposure times.

Environmental Science and Pollution Research published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Formula: C12H15ClO3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lakshmi, P. Baby Sudha published the artcileUse of some basic dyes in the extractive spectrophotometric determination of tranexamic acid, Application of 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride, the publication is Asian Journal of Chemistry (2009), 21(1), 388-392, database is CAplus.

A simple and sensitive spectrophotometric method is developed for the determination of tranexamic acid. It is based on the formation of colored ion-pair complex between the tranexamic acid and basic dyes (methylene blue, methylene violet, and saframin-O) in the aqueous phase at suitable pH extractable into chloroform showing the characteristic absorption maximum at 650, 550, and 520 nm, resp. The method was applied to pharmaceutical formulations. The method was statistically validated and is found to be precise and accurate.

Asian Journal of Chemistry published new progress about 4569-86-2. 4569-86-2 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride, and the molecular formula is C22H23ClN4, Application of 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Hendrickx, Eric published the artcilePhotorefractive Polysilanes Functionalized with a Nonlinear Optical Chromophore, Recommanded Product: Dichloro(hexyl)(methyl)silane, the publication is Macromolecules (1999), 32(7), 2232-2238, database is CAplus.

We have prepared various polysilane copolymers that were functionalized with the nonlinear optical chromophore N-methyl-p-nitroaniline. The glass transition temperature of the polysilanes was adjusted to room temperature by copolymerization of methylphenyldichlorosilane and n-hexylmethyldichlorosilane. Asym. two-beam coupling was observed at 633 nm, and a gain coefficient of 18 cm^-1 was measured at an externally applied field of 48 V μm^-1.

Macromolecules published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, Recommanded Product: Dichloro(hexyl)(methyl)silane.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Tesfaldet, Zeriet O. published the artcileSequential injection spectrophotometric determination of trace amounts of iodide by its catalytic effect on the 4,4′-methylenebis(N,N-dimethylaniline)-chloramine-T reaction, Category: chlorides-buliding-blocks, the publication is Talanta (2004), 64(5), 1213-1219, database is CAplus and MEDLINE.

A simple and sensitive sequential injection spectrophotometric procedure is proposed for the determination of trace amounts of iodide in pharmaceutical preparations The method was based on the catalytic effect of iodide on the (tetra base) 4,4′-methylene bis(N,N-dimethylaniline)chloramine-T reaction in acidic solution The method involves a sequential aspiration of 255 μl sample/standard followed by 170 μl tetra base and then 128 μl chloramine-T solutions into a carrier stream to be stacked inside a holding coil and flow reversed through a reaction coil towards a detector. The resulting colored compound was measured at 600 nm using an UV/Vis-spectrophotometer. All the parameters that affected the reaction were evaluated and the calibration curve was linear over a range of 0.1-6.0 μg l^-1 of iodide concentration with detection limit of 0.05 μg l^-1. A sample throughput of 80 samples per h and relative standard deviation of less than 2.0% was achieved. The method was successfully applied for the determination of iodide in three different samples (tablets).

Talanta published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C3H12Cl2N2, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics