Search results for "HD"

Utility of Three-Coordinate Silver Complexes Toward the Formation of Iodonium Ions

2021

The work herein describes the synthesis of five three-coordinate silver(I) complexes comprising a bidentate ligand L1, either bpy (2,2′-bipyridyl) or bpyMe2 (4,4′-dimethyl-2,2′-dipyridyl), and a monodentate ligand L2, either mtz (1-methyl-1H-1,2,3-triazole), 4-Etpy (4-ethylpyridine), or 4-DMAP (N,N-dimethylpyridin-4-amine). Upon reaction of the three-coordinate silver(I) complexes with 0.5 equiv of I2, the reactions quantitatively produce a 1:1 pair of complexes of a four-coordinate silver(I) complex [Ag(L1)2]PF6 and a two-coordinate iodonium complex [I(L2)2]PF6. The combination of [Ag(bpyMe2)2]PF6 and [I(4-DMAP)2]PF6 gave rise to an I+···Ag+ interaction where the I+ acts as a nucleophile, …

Computational thermochemistry: extension of Benson group additivity approach to organoboron compounds and reliable predictions of their thermochemica…

2022

High-level computational data for standard gas phase enthalpies of formation, entropies, and heat capacities are reported for 116 compounds of boron. A comparison of the results with extant experimental and computational benchmark values reveals important trends and clear outliers. Recommendations are made to revise some of the key quantities, such as the enthalpies of formation of orthoboric acid, trimethylthioborate, and triphenylborane, the last of which is found to be considerably in error. The uncertainties associated with the experimental values are found to exceed those of high-level calculations by a clear margin, prompting the redetermination of Benson group additivity contribution…

Synthesis, X-ray Single-Crystal Analysis, and Anticancer Activity Evaluation of New Alkylsulfanyl-Pyridazino[4,5-b]indole Compounds as Multitarget In…

2022

The alkylation of 3,5-dihydro-4H-pyridazino[4,5-b]indole-4-thione with benzyl bromide, ethyl chloroacetate, and allyl bromide in the presence of potassium carbonate (K2CO3) yielded new alkylsulfanylpyridazino[4,5-b]indole derivatives (i.e., compounds 4–6). Hydrazinolysis of ester 6 resulted in hydrazide 7. The structure of compound 6 was verified by X-ray single-crystal analysis. Among the synthesized compounds, compound 6 exhibited the most promising cytotoxicity toward MCF-7 cells with an IC50 value of 12 µM. It showed potential inhibition activity toward EGFR, PI3K, and AKT in MCF-7 cells, with 0.26-, 0.49-, and 0.31-fold reductions in concentration compared to an untreated c…

Synthesis, Characterization and Single Crystal X-ray Diffraction Analysis of Fused Triazolo/Thiadiazole Clubbed with Indole Scaffold

2023

The present synthetic strategy involves the synthesis of indolyl-triazolo-thiadiazole heterocyclic ring systems 8–13 from the condensation of 4-amino-5-(1H-indol-2-yl)-3H-1,2,4-triazole-3-thione 1 with the aromatic carboxylic acid derivatives 2–7 in presence of POCl3 for 1 h. All compounds were obtained in very good yields and have been well-characterized using spectroscopic techniques. Exclusively, good quality crystals from the target organic hybrid 8-(1H-indol-2-yl)-5-(p-tolyl)-[1,2,4]triazolo [3,4-b][1,3,4]thiadiazole 9 were obtained and found suitable for X-ray single crystal diffraction measurement, which is used to confirm and analyze the molecular and supramolecular stru…

Synergetic effect of gold in Au/Pd catalysts during hydrodesulfurization reactions of model compounds

2003

Abstract The simultaneous formation of colloidal dispersions of Pd and Au metal particles protected by the organic polymer polyvinylpyrrolidone (PVP) in reducing alcohol solution was used for the synthesis of new silica-supported monometallic and bimetallic Au x Pd y catalysts with different x / y ratios. The samples, with a 2 wt% total metal loading, after air calcinations at 673 K to remove the PVP, were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, and FTIR spectra of chemisorbed CO. Formation of alloyed Au x Pd y particles of different metal composition with consequent modification of their electronic and geometric properties was ascertained. The catalytic activi…

Correction to: A new approach to modelling the input–output structure of regional economies using non‑survey methods

2021

Continuous glucose monitoring use and glucose variability in very young children with type 1 diabetes (VibRate): A multinational prospective observat…

2021

While data on the efficacy and safety of continuous glucose monitoring (CGM) exist across a broad age spectrum, it is limited in very young children with type 1 diabetes (T1D). We aimed to assess real-world data in this high-risk population, focusing on glycemic variability and metrics beyond HbA1c. A 12-month multi-national, prospective, observational, registry-based cohort study in children with T1D aged 1-7 years compared glucose control using real-time CGM and using fingerstick blood glucose monitoring (BGM) alone. The prespecified primary endpoint was a difference in coefficient of variation (CV) between the CGM users and BGM-only cohort. Among 227 individuals using insulin pumps (42% …

State visit as a form of intercultural communication

1999

Presentation of the American culture in EFL textbooks : an analysis of the cultural content of Finnish EFL textbooks for secondary and upper secondar…

2011

International Mobility of PhD Graduates and the Construction of Scientific Careers: The French Example

2014

Expatriation of higher-education graduates raises much concern in many countries often in conjunction with talk about the brain drain. It supposedly entails a risk of losing the skills required for a competitive economy. The issue is all the more acute for PhD graduates, who are expected to play a major part in the knowledge economy (Dasgupta and David, 1994). However, questions arise as to the causes of such mobility and its consequences for young graduates' individual career paths. The academic literature on graduate migration discusses these questions in terms of theory focusing on the push and pull factors liable to explain the motivations behind individual PhD graduate mobility (Dongbi…