Month: October 2022

《Charge-assisted hydrogen bond and nitrile···nitrile interaction directed supramolecular associations in Cu(II) and Mn(II) coordination complexes: anticancer, hematotoxicity and theoretical studies》 was published in New Journal of Chemistry in 2020. These research results belong to Sharma, Pranay; Gogoi, Anshuman; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.. COA of Formula: C6H4N2 The article mentions the following:

Two new coordination complexes of Cu(II) and Mn(II), viz., [Cu(bpy)(H2O)4]SO4·2H2O (1) and [Mn(4-CNpy)2(H2O)3SO4]·H2O (2) (bpy = 2,2′-bipyridine, 4-CNpy = 4-cyanopyridine), were synthesized and characterized by using single crystal x-ray diffraction, elemental anal., FTIR spectroscopy, electronic spectroscopic techniques and TGA. The crystal structure of 1 uncovers the formation of sulfate-H2O assemblies involving lattice and coordinated H2O mols., while 2 reveals unconventional weak T-shaped CN···CN contacts in the layered architecture. The authors analyzed the unconventional interesting interactions using DFT calculations, mol. electrostatic potential (MEP), the NCI plot and QTAIM computational tools. The interaction energies of the two H-bonded dimers in 1 are very large because of the coulombic attraction between the dicationic H-bonded donor and the dianionic acceptor. It is interesting to observe that despite the energy of the H-bonds being very small compared to the total dimerization energy, the final geometry of the assembly in 1 is due to the charge assisted directional H-bonds instead of the nondirectional ion-pair interactions. The DFT study reveals that the T-shaped CN···CN interaction in 2 is very weak, in good agreement with the small MEP energy at the nitrile C atom. Anticancer studies of the compounds were carried out using Dalton’s lymphoma cell line using MTT and apoptosis assay. The results of compound 1 and 2 mediated cell cytotoxicity on the DL cancer cell line showed a significant concentration-dependent reduction in cell viability, while negligible cytotoxicity was observed in normal (PBMC) cells. The docking simulation results also confirm the interaction of the complexes with the active sites of amino acids of the target proteins. Also, pharmacophore models (2-dimensional and 3-D) for the compounds were mapped to the H-bond donor, pos. ionizable area and hydrophobic features that are important for establishing biol. activities. No hematotoxicity was recorded for the compounds after treatment in normal mice. In addition to this study using 4-Cyanopyridine, there are many other studies that have used 4-Cyanopyridine(cas: 100-48-1COA of Formula: C6H4N2) was used in this study.

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. COA of Formula: C6H4N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Design of a novel mitochondria targetable turn-on fluorescence probe for hydrogen peroxide and its two-photon bioimaging applications》 was written by Wang, Kangnan; Ma, Wen; Xu, Yuchun; Liu, Xin; Chen, Gui; Yu, Meng; Pan, Qiling; Huang, Chaobo; Li, Xiaochuan; Mu, Qingchun; Sun, Yongbing; Yu, Zhiqiang. Synthetic Route of C7H7NO And the article was included in Chinese Chemical Letters in 2020. The article conveys some information:

Considering that hydrogen peroxide (H2O2) plays significant roles in oxidative stress, the cellular signal transduction and essential biol. process regulation, the detection and imaging of H2O2 in living systems undertakes critical responsibility. Herein, we have developed a novel two-photon fluorescence turn on probe, named as Pyp-B for mitochondria H2O2 detection in living systems. Selectivity studies show that probe Pyp-B exhibit highly sensitive response toward H2O2 than other reactive oxygen species (ROS) and reactive nitrogen species (RNS) as well as biol. relevant species. The fluorescence colocalization studies demonstrate that the probe can localize in the mitochondria solely. Furthermore, as a bio-compatibility mol., the highly selective and sensitive of fluorescence probe Pyp-B have been confirmed by its cell imaging application of H2O2 in living A549 cells and zebrafishes under the physiol. conditions. In the part of experimental materials, we found many familiar compounds, such as 4-Acetylpyridine(cas: 1122-54-9Synthetic Route of C7H7NO)

4-Acetylpyridine(cas: 1122-54-9) belongs to pyridine. Pyridines form stable salts with strong acids. Pyridine itself is often used to neutralize acid formed in a reaction and as a basic solvent. Synthetic Route of C7H7NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Oxalato bridged coordination polymer of manganese(III) involving unconventional O···π-hole(nitrile) and antiparallel nitrile···nitrile contacts: antiproliferative evaluation and theoretical studies》 was written by Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Gogoi, Anshuman; Verma, Akalesh K.; Dutta, Diksha; Sarma, Bipul; Bhattacharyya, Manjit K.. Product Details of 100-48-1 And the article was included in New Journal of Chemistry in 2020. The article conveys some information:

A new oxalato bridged polymeric Mn(III) coordination compound, {[Mn2(η2-C2O4)(H2O)2Cl4]2(4-CNpy)}n (1) (C2O4 = oxalate, 4-CNpy = 4-cyanopyridine), was synthesized and characterized using elemental anal., and spectroscopic (IR, electronic, XPS) and single crystal X-ray diffraction techniques. Electronic and XPS analyses of the compound justify the presence of a Mn(III) center that is charge compensated by the two chlorido ligands and the oxygen atom of the bridged oxalate. 4-CNpy mols. in the lattice form unconventional H-bonded supramol. dimers in the solid state assisted by antiparallel CN···CN dipole···dipole interactions, which was confirmed using QTAIM and NCI plot anal. and supported by MEP surface anal. Remarkably, this dimer concurrently establishes a weak anion-π interaction with the coordinated chlorido ligand. Unexpectedly, QTAIM anal. reveals the existence of an interesting O···π-hole (nitrile) contact involving the coordinated water mol. and the nitrile moiety that also contributes to the stabilization of the dimer in the crystal structure. To the best of our knowledge, the existence of such π-hole interaction involving nitrile derivatives was not reported before. Compound 1 was further screened for anticancer activity in the malignant Dalton’s lymphoma (DL) cell line and the results were confirmed by mol. docking and pharmacophore features. The authors’ findings indicated that the cytotoxicity of compound 1 is initially increased in a dose dependent manner (0.01-1μM) and then decreased (5-10μM), which is also affected by the reactive oxygen species (ROS) in the cells. Very low cytotoxicity (5-14%) was observed in the case of healthy cells (PBMC) for similar exptl. conditions. In the experiment, the researchers used 4-Cyanopyridine(cas: 100-48-1Product Details of 100-48-1)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Product Details of 100-48-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Iron-cobalt-catalyzed heterotrimerization of alkynes and nitriles to polyfunctionalized pyridines》 was written by Xie, Yufang; Wu, Chengjuan; Jia, Changhao; Tung, Chen-Ho; Wang, Wenguang. Related Products of 100-48-1 And the article was included in Organic Chemistry Frontiers in 2020. The article conveys some information:

Based on the reactivity of half-sandwich complexes [Cp*Fe(NCMe)3]PF6 and Cp*Co(1,2-Ph2PC6H4NH), (Cp* = Me5C5-), the iron(II)-cobalt(II) co-catalysis of the cycloaddition of alkynes to nitriles under mild reaction conditions was studied. This method enabled the synthesis of polysubstituted pyridines in a single step and especially valuable for the preparation of 2,3,4,5,6-pentafunctionalized pyridines. In the experimental materials used by the author, we found 4-Cyanopyridine(cas: 100-48-1Related Products of 100-48-1)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Related Products of 100-48-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Overcoming Electron-Withdrawing and Product-Inhibition Effects by Organocatalytic Aerobic Oxidation of Alkylpyridines and Related Alkylheteroarenes to Ketones》 was written by Wang, Hua; Liu, Jie; Qu, Jian-Ping; Kang, Yan-Biao. Formula: C7H7NO And the article was included in Journal of Organic Chemistry in 2020. The article conveys some information:

An organocatalyzed aerobic benzylic C-H oxidation of alkyl and aryl heterocycles has been developed. This transition metal-free method is able to overcome the electron-withdrawing effect as well as product-inhibition effects in heterobenzylic radical oxidation A variety of ketones bearing N-heterocyclic groups could be prepared under relatively mild conditions with moderate to high yields. The experimental process involved the reaction of 4-Acetylpyridine(cas: 1122-54-9Formula: C7H7NO)

4-Acetylpyridine(cas: 1122-54-9) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Formula: C7H7NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Comparative dielectric parameters and conductivity mechanisms of pyridine-based rod-like liquid crystals》 was written by Yilmaz Canli, Nimet; Ocak, Hale; Okutan, Mustafa; Karanlik, Gurkan; Bilgin Eran, Belkiz. Application of 29682-15-3 And the article was included in Phase Transitions in 2020. The article conveys some information:

In this study, the dielec. properties and ac conductivity mechanism of pyridine-based rod-like liquid crystals (LC1 and LC2), which show enantiotropic smectic A mesophase, have been investigated by impedance spectroscopy within the frequency interval of 1 kHz-2 MHz. The variation of real and imaginary component of dielec. constant with angular frequency has been investigated. The temperature-dependent absorption coefficient α, relaxation time τo, dielec. strength value Δε, temperature-dependent changes on crystal, SmA and Iso phases have been given. These values were obtained by fitting the exptl. results in ε’-ω graph with the Cole-Cole equation real equation and Origin Pro Graph program. The frequency dependence of ac conductivities has also been analyzed. Different conductivity mechanisms, i.e. dc conductivity, correlated barrier hoping and quantum mech. tunneling behaviors have been determined for different frequency regions. In the experimental materials used by the author, we found Methyl 5-bromopicolinate(cas: 29682-15-3Application of 29682-15-3)

Methyl 5-bromopicolinate(cas: 29682-15-3) belongs to pyridine. Pyridine derivatives lend themselves to many roles in the spirited field of supramolecular chemistry – whether as the ligand backbone of metal-organic polymers or presiding over the key electronic stations of nanodevices. In biochemistry, pyridine-containing cofactors are necessary nutrients on which our lives depend. Application of 29682-15-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Eremina, J. A.; Lider, E. V.; Kuratieva, N. V.; Samsonenko, D. G.; Klyushova, L. S.; Sheven’, D. G.; Trifonov, R. E.; Ostrovskii, V. A. published their research in Inorganica Chimica Acta in 2021. The article was titled 《Synthesis and crystal structures of cytotoxic mixed-ligand copper(II) complexes with alkyl tetrazole and polypyridine derivatives》.Category: pyridine-derivatives The article contains the following contents:

A series of mixed-ligand copper(II) complexes {[Cu(phen)(L1)2]·H2O}n (1), [Cu(dmphen)(L1)2] (2), [Cu(bipy)(L1)2] (3) and [Cu2(dmbipy)2(L1)4] (4), where HL1 – 5-methyltetrazole, bipy – 2,2′-bipyridine, dmbipy – 4,4′-dimethyl-2,2′-bipyridine, phen – 1,10-phenanthroline, dmphen – 4,7-dimethyl-1,10-phenanthroline, has been synthesized. The complexes have been characterized by elemental anal., IR spectroscopy and powder x-ray diffraction. Crystal structures of some complexes have been determined by single-crystal x-ray diffraction anal. and showed distorted tetragonal-pyramidal (1) and square pyramidal ([Cu2(bipy)2(L1)4]·DMSO and 4) geometries. The crystal structure of {(H3O)0.5[Cu(phen)(μ3-H2L2)0.5(μ3-HL2)0.5]·H2O}n (5) with alkyl tetrazole H4L2 (1,3,3,5-tetra-(1H-tetrazol-5-yl)-pentane) has also been determined The complexes 1 and 5 have a zig-zag polymeric structure in which each copper(II) ion is coordinated by five N atoms, belonging to three different tetrazolate rings and one 1,10-phenantroline ligand, while [Cu2(bipy)2(L1)4]·DMSO and 4 are binuclear complexes. The effect of the compounds on viability of MCF-7 and Hep-2 cell lines has been investigated. Complexes 1, 2, 4 possess significant dose-dependent cytotoxic effect and 1, 2 are the most cytotoxic. In addition, stability of copper(II) complexes 1-4 in water-ethanol solution and phosphate buffer saline has been investigated by UV-vis spectroscopy. The interaction of complexes 1 and 3 with calf thymus DNA (CT-DNA) has also been studied by UV-vis spectroscopy. The results came from multiple reactions, including the reaction of 4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6Category: pyridine-derivatives)

4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6) is used as a chemical Intermediate. It can be used for the determination of ferrous and cyanide compounds.Category: pyridine-derivatives Furthermore, 4,4′-Dimethyl-2,2′-bipyridine is used in the synthesis of a series of o-phenanthroline-substituted ruthenium(II) complexes.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Weilhard, Andreas; Argent, Stephen P.; Sans, Victor published an article in 2021. The article was titled 《Efficient carbon dioxide hydrogenation to formic acid with buffering ionic liquids》, and you may find the article in Nature Communications.Quality Control of 2,6-Dibromopyridine The information in the text is summarized as follows:

The efficient transformation of CO2 into chems. and fuels is a key challenge for the decarbonisation of the synthetic production chain. Formic acid (FA) represents the first product of CO2 hydrogenation and can be a precursor of higher added value products or employed as a hydrogen storage vector. Bases are typically required to overcome thermodn. barriers in the synthesis of FA, generating waste and requiring post-processing of the formate salts. The employment of buffers can overcome these limitations, but their catalytic performance has so far been modest. Here, we present a methodol. utilizing IL as buffers to catalytically transform CO2 into FA with very high efficiency and comparable performance to the base-assisted systems. The combination of multifunctional basic ionic liquids and catalyst design enables the synthesis of FA with very high catalytic efficiency in TONs of >8*105 and TOFs > 2.1*104 h-1.2,6-Dibromopyridine(cas: 626-05-1Quality Control of 2,6-Dibromopyridine) was used in this study.

2,6-Dibromopyridine(cas: 626-05-1) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Quality Control of 2,6-Dibromopyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2022,Yi, Chih-Lun; Lin, Chun-Yen; Tang, Yukun; Wang, Chun-Yu; Huang, Chih-Wei; Gong, Xu; Gong, Shaolong; Wu, Chung-Chih; Wong, Ken-Tsung published an article in Advanced Optical Materials. The title of the article was 《A Rational Molecular Design Strategy of TADF Emitter for Achieving Device Efficiency Exceeding 36%》.Category: pyridine-derivatives The author mentioned the following in the article:

An excellent thermally activated delayed fluorescence (TADF) emitter requires a sophisticated mol. design strategy to incorporate structural features to simultaneously achieve high photoluminescence quantum yield (PLQY) and high horizontal emission dipole ratio (Θ//). This work reports the uses of heteroarenes and dicarbonitrile benzenes to design four new acceptors PymCN, PyoCN, PmmCN, and PmoCN, which are linked to a common donor dimethylacridine (DMAC) for making new TADF emitters. The emission wavelength, ΔEST, krisc, kr, and the resulting PLQY of the target TADF emitters are governed by the combined natures of the heteroaryl bridges (Py vs Pm) and the CN-substituted patterns (o-CN vs m-CN). The photophys. and device characteristics reveal the best acceptor to be PyoCN, which is further coupled with spiroacridine to afford a new emitter SpiroAC-PyoCN with an enhanced PLQY of 100% compared to that (91%) of the DMAC-based counterpart DMAC-PyoCN. Furthermore, linking PyoCN with spiro-bisacridine (SBAC) gives an A-D-A-configured TADF emitter SBAC-PyoCN with both enhanced PLQY (100%) and Θ// (90%). The device employing SBAC-PyoCN as emitter renders a maximum external quantum efficiency up to 36.1% owing to its unity PLQY and superior light out-coupling efficiency. This rational mol. design strategy provides a feasible means to achieve an excellent TADF emitter design. In the experimental materials used by the author, we found 2,5-Dibromopyridine(cas: 624-28-2Category: pyridine-derivatives)

2,5-Dibromopyridine(cas: 624-28-2) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reference of 2,5-DibromopyridineIn 2021 ,《Ultrahigh thermal-stability polyimides with low CTE and required flexibility by formation of hydrogen bonds between poly(amic acid)s》 appeared in European Polymer Journal. The author of the article were Yang, Zhenghui; Ma, Pingchuan; Li, Furong; Guo, Haiquan; Kang, Chuanqing; Gao, Lianxun. The article conveys some information:

The flexibility of organic light-emitting diode (OLED) displays highly depends on the properties of the flexible substrates. In this paper, a series of aromatic polyimides have been fabricated via the copolycondensation of pyromellitic dianhydride (PMDA), the two different rigid heterocyclic diamines, 2,5-bis(4-aminophenyl)pyrimidine (PRM) or 2,5-bis(4-aminophenyl)pyridine (PRD), and another flexible diamine, 4,4′-oxydianiline (ODA). The performance of the polyimide films could be systematically tailored by means of adjusting the main-chain rigidity, as well as the close packing and orientation of polymer chains by the formation of the intermol. hydrogen bonds between poly(amic acid)s. The optimal results (PIb-4, PIb-5, PIc-2) showed that the polyimides were endowed with ultra-high glass transition temperature (Tg) exceeding 450°C, low coefficient of thermal expansion (CTE) at 0-5 ppm K-1 and excellent thermal stability (Td5% = 570-590°C). Meanwhile, all of them exhibited sufficient flexibility, the elongation at break at of 40-60%, extremely high tensile strength of 250-380 MPa and modulus of 4.1-6.1 GPa. Hence, the polyimide films should be the promising candidates for application as the polymer substrates for flexible OLED displays. In the part of experimental materials, we found many familiar compounds, such as 2,5-Dibromopyridine(cas: 624-28-2Reference of 2,5-Dibromopyridine)

2,5-Dibromopyridine(cas: 624-28-2) belongs to pyridine. Pyridine derivatives lend themselves to many roles in the spirited field of supramolecular chemistry – whether as the ligand backbone of metal-organic polymers or presiding over the key electronic stations of nanodevices. In biochemistry, pyridine-containing cofactors are necessary nutrients on which our lives depend. Reference of 2,5-Dibromopyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem