Month: October 2022

Zeng, Yan; Nie, Lifei; Bozorov, Khurshed; Ruzi, Zukela; Song, Buer; Zhao, Jiangyu; Aisa, Haji Akber published the artcile< 2-Substituted tricyclic oxazolo[5,4-d]pyrimidine library: Design, synthesis and cytotoxicity activity>, Formula: C8H4ClF3O2, the main research area is tetrahydrooxazolopyridopyrimidinone preparation cytotoxicity human.

Design, synthetic route and cytotoxicity of a library of 49 newly synthesized tricyclic oxazolo[5,4-d]pyrimidines I [R = Me, Ph, 4-BrC6H4, etc.] was reported. The condensed pyrimidinones were constructed from Et 5-aminooxazole-4-carboxylate building blocks. A tricyclic ring system was built using the naturally occurring mackinazolinone alkaloid with a focus on the mol. diversity at position C-2 of the oxazole ring. Synthesized compounds were evaluated against a panel of human cancer cell lines including MCF-7 (breast), HeLa (cervical) and A549 (lung) in vitro. The results revealed that substitution of halogen-related aromatic fragments at position C-2 of the oxazole ring may serve as promising anticancer drug candidates.

Journal of Heterocyclic Chemistry published new progress about Antitumor agents. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Formula: C8H4ClF3O2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chen, Wei; Chang, Ling; Ren, Shi-Bin; He, Zhi-Cai; Huang, Guo-Bo; Liu, Xiao-Heng published the artcile< Direct Z-scheme 1D/2D WO2.72/ZnIn2S4 hybrid photocatalysts with highly-efficient visible-light-driven photodegradation towards tetracycline hydrochloride removal>, Computed Properties of 22519-64-8, the main research area is preparation property direct Z scheme hybrid photocatalyst; tungsten oxide nanorod zinc indium sulfide nanosheet photocatalyst; visible light driven photocatalytic wastewater treatment tetracycline hydrochloride; Tetracycline hydrochloride; WO(2.72); Z-scheme; ZnIn(2)S(4).

There are increasing environmental concerns of serious pollution from discharge of antibiotic wastewater. A series of direct Z-scheme WO2.72/ZnIn2S4 (WOZIS) hybrid photocatalysts comprised of one-dimensional (1D) WO2.72 (WO) nanorods and two-dimensional (2D) ZnIn2S4 (ZIS) nanosheets were designed and prepared to degrade tetracycline hydrochloride (TCH) without solid-state electron mediators. The crystalline phase, chem. composition, morphol., optical properties, and photocatalytic activity of as-prepared samples were characterized by x-ray diffraction, XPS, SEM, high resolution transmission electron microscopy, BET, UV-vis diffuse reflectance spectroscopy, and PL. All WOZIS hybrid photocatalysts exhibited significantly enhanced photocatalytic activity for TCH degradation WOZIS-1 sample with a 1:1 WO:ZIS molar ratio displayed the highest photocatalytic activity. The significantly enhanced photo-activity of WOZIS hybrid photocatalyst was due to a Z-scheme charge separation mechanism based on tight interfacial contacts between WO nanorods and ZIS nanosheets, thereby driving efficient charge separation The high photocatalytic stability of as-prepared WOZIS-1 hybrid sample was shown with seven successive cycling reactions.

Journal of Hazardous Materials published new progress about Adsorptive wastewater treatment. 22519-64-8 belongs to class chlorides-buliding-blocks, and the molecular formula is Cl3H8InO4, Computed Properties of 22519-64-8.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Graves, Alan P.; Shivakumar, Devleena M.; Boyce, Sarah E.; Jacobson, Matthew P.; Case, David A.; Shoichet, Brian K. published the artcile< Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing>, Category: chlorides-buliding-blocks, the main research area is protein ligand docking mol mechanics generalized Born surface area; virtual screening rescoring ligand crystal structure protein conformation.

Mol. docking computationally screens thousands to millions of organic mols. against protein structures, looking for those with complementary fits. Many approximations are made, often resulting in low “”hit rates.””. A strategy to overcome these approximations is to rescore top-ranked docked mols. using a better but slower method. One such is afforded by mol. mechanics-generalized Born surface area (MM-GBSA) techniques. These more phys. realistic methods have improved models for solvation and electrostatic interactions and conformational change compared to most docking programs. To investigate MM-GBSA rescoring, the authors reranked docking hit lists in three small buried sites: a hydrophobic cavity that binds apolar ligands, a slightly polar cavity that binds aryl and hydrogen-bonding ligands, and an anionic cavity that binds cationic ligands. These sites are simple; consequently, incorrect predictions can be attributed to particular errors in the method, and many likely ligands may actually be tested. In retrospective calculations, MM-GBSA techniques with binding-site minimization better distinguished the known ligands for each cavity from the known decoys compared to the docking calculation alone. This encouraged us to test rescoring prospectively on mols. that ranked poorly by docking but that ranked well when rescored by MM-GBSA. A total of 33 mols. highly ranked by MM-GBSA for the three cavities were tested exptl. Of these, 23 were observed to bind-these are docking false negatives rescued by rescoring. The 10 remaining mols. are true negatives by docking and false positives by MM-GBSA. X-ray crystal structures were determined for 21 of these 23 mols. In many cases, the geometry prediction by MM-GBSA improved the initial docking pose and more closely resembled the crystallog. result; yet in several cases, the rescored geometry failed to capture large conformational changes in the protein. Intriguingly, rescoring not only rescued docking false positives, but also introduced several new false positives into the top-ranking mols. The authors consider the origins of the successes and failures in MM-GBSA rescoring in these model cavity sites and the prospects for rescoring in biol. relevant targets.

Journal of Molecular Biology published new progress about Algorithm. 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Irving, Charles D.; Floreancig, Jack T.; Laulhe, Sebastien published the artcile< Amide Synthesis through the In Situ Generation of Chloro- and Imido-Phosphonium Salts>, Application In Synthesis of 128-09-6, the main research area is amide synthesis in situ generation chlorophosphonium imidophosphonium salt.

We describe a methodol. for the amidation of carboxylic acids by generating phosphonium salts in situ from N-chlorophthalimide and triphenylphosphine. Aliphatic, benzylic, and aromatic carboxylic acids can be transformed into their amide counter parts using primary and secondary amines. This functional group interconversion is achieved at room temperature in good to excellent yields. Mechanistic work shows the in situ formation of chloro- and imido-phosphonium salts that react as activating agents for carboxylic acids and generate an acyloxy-phosphonium species.

ACS Omega published new progress about Aliphatic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Application In Synthesis of 128-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Guo, Yong; van Ravensteijn, Bas G. P.; Kegel, Willem K. published the artcile< Dimple Colloids with Tunable Cavity Size and Surface Functionalities>, COA of Formula: C9H9Cl, the main research area is dimple colloid tunable cavity size surface functionality.

Dimple colloids with well-defined cavities were synthesized by a modified dispersion polymerization The key step in the procedure is the delayed addition of crosslinkers into the reaction mixture By systematically studying the effect of the delayed addition time and the concentration of the crosslinker on the resulting particle morphol., we identified the dominating driving force that underlies dimple formation. The delayed addition of crosslinkers results in colloids with a core-shell morphol. consisting of a core rich in linear polymers and a crosslinked shell. This morphol. was confirmed by selectively etching non-crosslinked material using DMF. With polymerization proceeding, consumption of monomers present in the swollen particles leads to contraction of the particles, which is larger for the core composed of linear polymers compared to the stiffer crosslinked shell. To accommodate this decrease in volume, the outer crosslinked shell has to buckle, resulting in a well-defined dimple. Furthermore, we extended the procedure to incorporate functional monomers, yielding chem. modifiable dimple particles. Subsequently, we showed that by leveraging the core-shell structure, these dimple particles can be used to prepare dumbbell-shaped colloids with one hollow and one solid lobe. These partially hollow anisotropic particles assemble into strings with well-defined orientations in an a.c. elec. field.

Macromolecules (Washington, DC, United States) published new progress about Colloids. 1592-20-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H9Cl, COA of Formula: C9H9Cl.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Bhatt, Divya; Chae, Soyeon; Kim, Hun Young; Oh, Kyungsoo published the artcile< One-Pot Synthesis of N-Hydroxypyrroles via Soft α-Vinyl Enolization of (E)-β-Chlorovinyl Ketones: A Traceless Arylsulfinate Mediator Strategy>, Quality Control of 17082-09-6, the main research area is hydroxypyrrole preparation one pot; beta chlorovinyl ketone sodium arylsulfinate alpha enolization tandem.

A traceless arylsulfinate mediator strategy has been developed to switch the reaction course of β-chlorovinyl ketones with N-hydroxyamine. The soft α-vinyl enolization of (E)-β-chlorovinyl ketones was conducted in the presence of sodium arylsulfinate to give transient alkenyl sulfones that in turn reacted with NH2OH to give novel access to N-hydroxypyrroles. The mechanistic studies revealed the initial formation of oxazine intermediates that rearranged to thermodynamically stable aromatic products, N-hydroxypyrroles, under microwave-assisted heating conditions.

Organic Letters published new progress about Enolization. 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Quality Control of 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Tryniszewski, Michal; Barbasiewicz, Michal published the artcile< Gram-Scale Preparation of Acyl Fluorides and Their Reactions with Hindered Nucleophiles>, HPLC of Formula: 17082-09-6, the main research area is acyl fluoride preparation reaction with hindered nucleophile; aqueous bifluoride acyl chloride halogen exchange.

A series of acyl fluorides was synthesized at 100 mmol scale using phase-transfer-catalyzed halogen exchange between acyl chlorides and aqueous bifluoride solution The convenient procedure consists of vigorous stirring of the biphasic mixture at room temperature, followed by extraction and distillation Isolated acyl fluorides (usually 7-20 g) display excellent purity and can be transformed into sterically hindered amides and esters when treated with lithium amide bases and alkoxides under mild conditions.

Synthesis published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, HPLC of Formula: 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Hirose, Orie; Itabashi, Mitsuyo; Takei, Takashi; Nitta, Kosaku published the artcile< Comparison of a novel chemiluminescence enzyme immunoassay (CLEIA) with enzyme-linked immunosorbent assay (ELISA) for the determination of MPO-ANCA in patients with ANCA-associated vasculitis>, Formula: C7H17Cl2N2O3P, the main research area is chemiluminescence enzyme immunoassay ELISA MPO ANCA human AAV; ANCA-associated vasculitis; BVAS; CLEIA; ELISA; MPO-ANCA.

Background. Myeloperoxidase (MPO) anti-neutrophil cytoplasmic antibody (ANCA) represents the serol. hallmark of ANCA-associated vasculitis (AAV). We evaluated the anal. and diagnostic accuracy of chemiluminescence enzyme immunoassay (CLEIA) vs. ELISA for the detection of MPO-ANCA. Methods. A total of 242 sera obtained from 51 patients with AAV and 103 patients without AAV were tested for MPO-ANCA by ELISA (NephroScholor MPOANC II) and CLEIA (the STACIA MEBLux test). Disease activity in the patients with AAV was determined based on the Birmingham Vasculitis Activity Score. We analyzed the correlations between the MPO-ANCA titers determined by the CLEIA and those determined by the ELISA, and also between the MPO-ANCA titers and the disease activity. Results. The MPO-ANCA titers determined by the CLEIA (x) were strongly correlated with those determined by the ELISA (y). The correlation could be expressed by the following equation in this study: y = 1.8x + 7.7 (r = 0.96; p < 0.0001). At the cutoff value of 3.5 U/mL, the CLEIA yielded pos. test results for MPO-ANCA in 73 of the 242 sera (30.2%), while at the cutoff value of 20 U/mL, ELISA yielded pos. test results in 57 of the 242 sera (23.6%). The CLEIA yielded false-pos. test results in 4 of the 120 sera obtained from the non-AAV patients (3.3%), whereas the ELISA yielded a false-pos. result in only 1 of the 120 sera obtained from the non-AAV patients (0.8%). The sensitivity and specificity of the CLEIA for the diagnosis of AAV were 100% and 96.7%, resp., while those of the ELISA were 94.3% and 99.2%, resp. The sensitivity and specificity of the CLEIA for the prediction of active disease were 100% and 64.4%, resp., while those of the ELISA were 94.3% and 73.6%, resp. Conclusion. The false positivity rate of the CLEIA for MPO-ANCA tended to be high as compared with that of the ELISA. Also, according to the correlation coefficient between the results of the CLEIA and the ELISA calculated in this study, it is necessary to pay attention to the differences in the sensitivity and specificity between CLEIA and ELISA. Modern Rheumatology published new progress about Blood analysis. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Formula: C7H17Cl2N2O3P.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Salmeia, Khalifah A.; Hodali, Hamdallah A. published the artcile< Palladium complexes with some phosphorus-sulfur ligands>, COA of Formula: C6H7ClS, the main research area is phosphinoalkylthiophene preparation complexation palladium; thiomethylphenylphosphine preparation complexation palladium; palladium phosphinoalkylthiophene thiomethylphenylphosphine complex preparation.

The P-S asym. ligands 2-(2-diphenylphosphinoethyl)thiophene (P-S2), 2-(3-diphenylphosphinopropyl)thiophene (P-S3), and [2-[(methylthio)methyl]phenyl]diphenylphosphine (P-SM) were synthesized and characterized by IR, 1H-NMR, and 13C-NMR spectroscopy. Reaction of P-S2, P-S3 or P-SM with equimolar amount of [Pd(PhCN)2Cl2] gave [Pd(P-S2)Cl2], [Pd(P-SM)Cl2] and [Pd(P-S3)(μ-Cl)Cl]2, resp. However, reaction of P-S2 with [Pd(PhCN)2Cl2] in a molar ratio of 2:1 afforded [Pd(P-S2)2Cl2]. The above complexes were characterized by microelemental anal., IR, 1H-NMR and 13C-NMR.

Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry published new progress about 19995-38-1. 19995-38-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H7ClS, COA of Formula: C6H7ClS.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Sun, Zhong-Hua; Wang, Xin-Yan; Huang, Kun-Lin; He, Ming-Yang; Chen, Sheng-Chun published the artcile< Heterogeneous catalytic carboxylation of terminal alkynes with CO2 over a copper(II)-based metal-organic framework catalyst>, Recommanded Product: 3-(4-Chlorophenyl)propiolic acid, the main research area is heterogeneous catalytic carboxylation terminal alkyne copper metal framework catalyst.

Developing efficient, inexpensive and robust heterogeneous catalysts for CO2 conversion is greatly important. In this study, a new stable copper(II)-based metal-organic framework [Cu(Fbtx)2Br2]n (denoted as CZU-7, CCDC-2165700, Fbtx = 1,4-bis(1,2,4-triazole-1-ylmethyl)-2,3,5,6-tetrafluorobenzene) was synthesized via a facile and fast microwave heating method. CZU-7 exhibits a two-dimensional layer structure with the 44-sql topol. This material was demonstrated to be an efficient heterogeneous catalyst for the direct carboxylation of 1-ethynylbenzene with CO2, and various propiolic acids were synthesized in moderate to good yields under optimized reaction conditions. Moreover, the catalyst could be easily recovered and reused five times without significant loss of catalytic activity.

Catalysis Communications published new progress about Carboxylation. 3240-10-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H5ClO2, Recommanded Product: 3-(4-Chlorophenyl)propiolic acid.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics