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Journal of Chemical Research
Journal Prestige (SJR): 0.221

Citation Impact (citeScore): 1
Number of Followers: 6

This is an Open Access Journal

Open Access journal
ISSN (Print) 1747-5198 - ISSN (Online) 2047-6507
Published by Sage Publications

[1174 journals]

Construction of a supramolecular framework consisting of cucurbit[8]uril
and 1-(4-methoxyphenyl)piperazine
- Authors: Jun Zheng, Lin Zhang, Yuhe Chen, Yue Ma, Xue Dai, Li Shi, Yanli Lu, Xinan Yang, Peihua Ma
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  We report the supramolecular self-assembly of cucurbit[8]uril(Q[8]) and 1-(4-methoxyphenyl)piperazine inclusion complex. The complex is cultured in 3 M hydrochloric acid solution under CdCl2 induction conditions to obtain a new crystal, the structure of which was characterized by X-ray single-crystal diffraction. The results show that the crystal belongs to the monoclinic crystal system with a C2/m space group. The host–guest interaction ratio of Q[8] and 1-(4-methoxyphenyl) piperazine is 1:2.
  Citation: Journal of Chemical Research
  PubDate: 2022-06-27T06:38:10Z
  DOI: 10.1177/17475198221106398
  Issue No: Vol. 46, No. 3 (2022)
A straightforward coupling of 4-sulfonylpyridines with Grignard reagents
- Authors: Liu-Yi Song, Meng-Ke Chen, Jian Wang, Jing-Hua Li
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  A straightforward synthesis of alkyl-sulfonylpyridines and aryl-sulfonylpyridines is developed by coupling of sulfonylpyridines with the Grignard reagents. The protocol proceeds through a catalyst- and oxidant-free coupling of sulfonylpyridines as substrates via a Chichibabin-type reaction mechanism.
  Citation: Journal of Chemical Research
  PubDate: 2022-06-27T06:35:25Z
  DOI: 10.1177/17475198221103502
  Issue No: Vol. 46, No. 3 (2022)
Liquid chromatography–mass spectrometry analysis of mauveine extracted
from silk fabrics: A Victorian dress in Gunnersbury Park and Museum and a
modern Charles Rees bow tie
- Authors: M John Plater, Andrea Raab
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  Fibres from a purple 1860s Victorian-era silk dress were extracted and analysed by liquid chromatography–mass spectrometry. The analysis was predominantly mauveine A and mauveine B with lesser amounts of other mauveine chromophores. The mauveine provenance of the dress was confirmed and the authenticity of the mauveine established as from WH Perkins Greenford factory by comparison with museum standards. Fibres from a 25-year-old silk bow tie were also analysed by liquid chromatography–mass spectrometry, which analysed as predominantly mauveine A with a much smaller amount of mauveine B. Strips of silk were dyed with museum-stored mauveine, and after leaving for 6 months in the light or the dark, the same liquid chromatography–mass spectrometry mauveine analysis shows that mauveine B was not degrading to mauveine A on silk.
  Citation: Journal of Chemical Research
  PubDate: 2022-06-21T05:45:45Z
  DOI: 10.1177/17475198221103999
  Issue No: Vol. 46, No. 3 (2022)
A density functional theory study on the mechanism of simultaneous
trifluoromethylation and oximation of aryl-substituted ethylenes
- Authors: Sen Wang, Wenlu Song, Xiaowei Lan, Xuan Meng, Nan Li, Xianfu Wei, Wenjie Jing, Kui Lu, Yujie Dai
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  The effects of different substituents, located at the para position of the aromatic ring and at the β-carbon atom of styrenes, on difunctionalizations involving trifluoromethylation and oxime formation are investigated, showing that the difunctionalization reaction has a good adaptability to such reactants containing a range of substituents. This is important in the actual production process. It was found that proton transfer in the final tautomerism step involving transformation of a nitroso intermediate into an oxime is the rate-limiting step. The solvent effect did not influence the rate-limiting step significantly. Compared with direct proton transfer in a vacuum, the energy barrier of the final tautomerism step decreased from 57.80 kcal mol−1 in vacuum to 12.98 kcal mol−1 in water occurring via mediated proton transfer, which declines by 77.5%. When water participates in the rate-limiting steps in organic solvents, the energy barrier also decreases significantly, which indicates that a small amount of water in the organic solvent is conducive to the reaction.
  Citation: Journal of Chemical Research
  PubDate: 2022-06-17T06:36:06Z
  DOI: 10.1177/17475198221104006
  Issue No: Vol. 46, No. 3 (2022)
Synthesis, spectral analysis, and theoretical investigations of diphenyl
fumarate
- Authors: Mingxue You, Weiqian Liao, Genlai Zhou, Yihui Bai
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  Diphenyl fumarate is synthesized from maleic anhydride and phenol under solvent-free conditions. The structure of the product is characterized by FTIR, 1H NMR, and 13C NMR. The molecular structure is optimized using the density functional theory approach at the B3LYP/6-311G(d,p) level and the structural parameters are analyzed. Theoretical vibrational frequencies are investigated at the same level; the 1H NMR and 13C NMR are simulated using the default gauge-independent atomic orbital method at the B3LYP/6-31G(d) level and the solvation model density implicit continuum solvation model for chloroform; chemical shifts are scaled using scaling factors available on the cheshirenmr.info website (accessed 12 September 2021). In addition, the UV-Vis absorption and fluorescence emission are simulated using the time-dependent method at the PBE38/6-311G(d,p) level. All the calculated spectral values are compared with the experimental data. A generally good agreement between the experimental and theoretical results is found. The results reveal diphenyl fumarate as a candidate substrate for small-molecule organic fluorophores with a large Stokes shift. This work provides a detailed experimental and theoretical study on the structural and spectral properties of diphenyl fumarate, and thus provides proof for the novel applications of diphenyl fumarate and its derivatives.
  Citation: Journal of Chemical Research
  PubDate: 2022-06-15T11:51:48Z
  DOI: 10.1177/17475198221085550
  Issue No: Vol. 46, No. 3 (2022)
Synthesis, characterization, thermal behavior, and antitumor activities of
an Ag(I) complex based on 4-(2-hydroxyphenyl)-2-methylpyrimidine
- Authors: Wu-Wu Li, Min-Yan Zheng, Yong-Hui Shang, Jin-Qiong Xu, Zun-Ting Zhang, Hao-Nan Zheng, Xiao-Peng Li, A-Tong Weng, Ling-Ying Feng, Lu Liu
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  A new Ag(I) coordination complex, Ag(C11H10N2O)2·NO3 (C11H10N2O = 4-(2-hydroxyphenyl)-2-methylpyrimidine) is successfully synthesized and characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction analysis. This complex features a three-dimensional framework consisting of hydrogen bonds, π–π stacking interactions, coordination interactions, and electrostatic interactions. Moreover, the thermal stability and non-isothermal thermal decomposition reaction kinetics of the complex are well investigated by the methods of Kissinger and Ozawa. Finally, the antitumor ability of the complex is evaluated against human lung cancer cells (NCI-H460), human hepatocellular cancer cells (HepG2), and human breast cancer cells (MCF7). The complex exhibits potent antitumor activities against HepG2 and MCF7 cancer cells.
  Citation: Journal of Chemical Research
  PubDate: 2022-06-14T09:29:38Z
  DOI: 10.1177/17475198221103541
  Issue No: Vol. 46, No. 3 (2022)
Exploring the mechanism of the excellent catalytic activity of
NiFe-layered double hydroxides in oxygen evolution reactions by modifying
the iron content
- Authors: Ying Liu, Xueyan Lei, Bing Xiong, Jifang Chen, Wei Zou, Zhengping Fu, Yalin Lu
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  Layered double hydroxides are very promising catalysts for water splitting, in particular NiFe-layered double hydroxide, which has attracted significant attention due to its excellent catalytic activity in oxygen evolution reactions using alkaline electrolytes. In this work, samples with different molar ratios of Ni to Fe are prepared by a typical hydrothermal method to study the effect of iron on the catalytic properties of NiFe-layered double hydroxide. All the NiFe-layered double hydroxides exhibit much better oxygen evolution reaction activity than NiOOH, while increasing the iron content slightly affects the activity, which implies that only Fe ions at some specific site contribute to the oxygen evolution reaction activity. The NiFe-layered double hydroxide with a 4:1 molar ratio of Ni to Fe shows the best oxygen evolution reaction catalytic performance, and requires only an overpotential of 176 mV to afford a current of 10 mA cm−2 in 1.0 M KOH, and exhibits a much lower Tafel slope (51 mV dec−1). This work also studies the effect of iron on the electronic structure of nickel and reveals the mechanism behind the excellent oxygen evolution reaction catalytic properties of NiFe-layered double hydroxide.
  Citation: Journal of Chemical Research
  PubDate: 2022-06-11T08:28:22Z
  DOI: 10.1177/17475198221103519
  Issue No: Vol. 46, No. 3 (2022)
A visible-light-responsive DiSCn(3)-type fluorescent probe for the rapid,
sensitive, and specific detection of tin(II) ions in aqueous solution
- Authors: Ruiji Li, Dong Wang, Xiaoyun Li, Zehui Zhang, Wei Li
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  Visible-light-excited fluorescent probes with excellent water solubility are of significant research importance in the biomedical field. In this work, a series of visible-light-responsive carbocyanine fluorescent compounds [DiSCn(3)] are synthesized from 2-methylbenzothiazole and are employed as fluorescent probes for detecting tin(II) ions. Upon addition of tin(II) ions to an aqueous solution of compounds DiSCn(3)-3 and 4, both exhibit considerable changes in their absorption and fluorescent intensity, respectively. These spectral changes may correspond to the binding between tin(II) ions and the sulfur atom in the benzothiazole unit to form a metal complex. This indicates that DiSCn(3)-3 and 4 can be used as promising fluorescent chemical sensors for detecting tin(II) ions in aqueous solution via visible-light excitation.
  Citation: Journal of Chemical Research
  PubDate: 2022-06-09T09:43:11Z
  DOI: 10.1177/17475198221089833
  Issue No: Vol. 46, No. 3 (2022)
Combining classical molecular docking with self-consistent charge
density-functional tight-binding computations for the efficient and
quality prediction of ligand binding structure
- Authors: Amar Y Al-Ansi, Haorui Lu, Zijing Lin
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  To improve the successful prediction rate of the existing molecular docking methods, a new docking approach is proposed that consists of three steps: generating an ensemble of docked poses with a conventional docking method, performing clustering analysis of the ensemble to select the representative poses, and optimizing the representative structures with a low-cost quantum mechanics method. Three quantum mechanics methods, self-consistent charge density-functional tight-binding, ONIOM(DFT:PM6), and ONIOM(SCC-DFTB:PM6), are tested on 18 ligand-receptor bio-complexes. The rate of successful binding pose predictions by the proposed self-consistent charge density-functional tight-binding docking method is the highest, at 67%. The self-consistent charge density-functional tight-binding docking method should be useful for the structure-based drug design.
  Citation: Journal of Chemical Research
  PubDate: 2022-05-31T12:12:10Z
  DOI: 10.1177/17475198221101999
  Issue No: Vol. 46, No. 3 (2022)
Verbascoside extracted from Clerodendrum inerme: A natural monomer for the
fabrication of a sensitive electrochemical Cu(II) sensor
- Authors: Minh T Tran, Hoang V Tran
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  Verbascoside is isolated from the whole plants of the Verbenaceae family and demonstrates significant levels of bioactivity. In this work, we report on the isolation of verbascoside, a phenolic glycoside, from the stems of Clerodendrum inerme collected in Vietnam and verify its structure by comparing its spectroscopic data with those reported in the literature. Verbascoside is then applied as a monomer for the electrochemical deposition of a layer of polyverbascoside onto glassy carbon electrodes toward Cu2+ sensing. Electrochemical results demonstrate that the polyverbascoside-modified glassy carbon electrode is highly selective for Cu2+ ions compared to other evaluated ions including Ni2+ and Co2+. The developed sensor can detect Cu2+ in a concentration range from 0 to 175 μM with a sensitivity of 0.372 µA µM−1 and a limit of detection of 50 nM Cu2+ ions.
  Citation: Journal of Chemical Research
  PubDate: 2022-05-14T09:24:40Z
  DOI: 10.1177/17475198221096596
  Issue No: Vol. 46, No. 3 (2022)
Synthesis of quinazolinone derivatives containing an acyl hydrazone
skeleton as potent anti-urease agents enzyme kinetic studies and
anti-oxidant properties
- Authors: Nimet Baltaş
  Abstract: Journal of Chemical Research, Volume 46, Issue 3, May-June 2022.
  This paper covers the synthesis, in vitro urease inhibition, enzyme kinetic parameters, and anti-oxidant studies of a novel series of quinazolinone derivatives containing an acyl hydrazone skeleton. Compounds 3a, 3b, 5a, and 5b, having IC50 values ranging from 1.86 ± 0.07 to 6.38 ± 0.11 µg mL−1, show greater inhibitory activity than the standard inhibitor, thiourea. Among the products, (2-[2-(3-methoxybenzyl)-4-oxoquinazolin-3(4H)-yl]acetohydrazide) proves to be the most potent, exhibiting enzyme inhibition activity with an IC50 value of 1.86 ± 0.07 µg mL−1. Kinetic studies involving the Lineweaver–Burk plots reveal that the inhibition mechanism of the most active compounds (3a, 3b, 5a, and 5b) on urease activity are found to be in competitive mode. Also, the anti-oxidant activity and radical-scavenging properties of the synthesized compounds are evaluated using cupric reducing anti-oxidant activity, ferric reducing anti-oxidant capacity, 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid), and 2,2-diphenyl-1-picrylhydrazyl assays. Compounds 3a, b and 5a, b have good anti-oxidant properties and radical-scavenging activity at various final concentrations.
  Citation: Journal of Chemical Research
  PubDate: 2022-05-13T06:56:02Z
  DOI: 10.1177/17475198221096568
  Issue No: Vol. 46, No. 3 (2022)
The xanthate route to six-membered carbocycles
- Authors: Samir Z Zard
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  Convergent routes to various six-membered carbocyclic architectures exploiting the unique radical chemistry of xanthates are described in this brief review. Three approaches are discussed. The first is the modification of existing cyclohexane building blocks, namely, cyclohexanones, cyclohexenones and cyclohexenes. The second deals with the construction of six-membered carbocycles by associating the chemistry of xanthates with classical ionic reactions, especially the Robinson annulation, the Michael addition and the Horner–Wadsworth–Emmons condensation. Finally, the third route is the formation of six-membered rings by direct six-exo and, but more rarely, six-endo cyclisation modes. Many of the complex structures presented herein would be tedious to obtain by more traditional methods.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-30T11:46:51Z
  DOI: 10.1177/17475198221088194
  Issue No: Vol. 46, No. 2 (2022)
Preparation and properties of allyl ether-based polycarboxylate
superplasticizer with short-branched chains modified by nano-silica
- Authors: Lei Qiu, Chunfeng Mao, Jiaqi Zhang, Yanyun Wang, Sujuan Ge, Rundong Wang, Yuzhong Huang, Yuming Zhou
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  The combination of nanoparticles and polycarboxylate ether superplasticizers is expected to simultaneously improve the durability and mechanical properties of mortar and concrete. However, the uniform dispersion of nanoparticles in cement materials has always been a difficult challenge. In this paper, nanoparticles are modified with surfactants to provide a research direction for better dispersion of nanoparticles in cementitious materials. Modified allyl ether polycarboxylate superplasticizer with short-branched chains was synthesized from acrylic acid and allyl glycidyl ether. Nano-silica/polycarboxylate ether was obtained by grafting nano-silica onto polycarboxylate ether molecular chains through intermolecular dehydration, thus achieving a homogeneous dispersion of nano-silica in the cementitious material. The results show that nano-silica/polycarboxylate ether has better dispersibility in cement matrix and strong clay resistance, which compensates for the poor dispersion of polycarboxylate ether synthesized from conventional polyethylene glycol graft chains in the presence of clay impurities.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-30T05:38:10Z
  DOI: 10.1177/17475198221091903
  Issue No: Vol. 46, No. 2 (2022)
CORRIGENDUM to “Atomic polarizability: A periodic descriptor”
- Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  
  Citation: Journal of Chemical Research
  PubDate: 2022-04-28T10:38:10Z
  DOI: 10.1177/17475198221095958
  Issue No: Vol. 46, No. 2 (2022)
Application of metalloporphyrin sensitizers for the treatment or diagnosis
of tumors
- Authors: Hongyu Luo, Wenmei Yu, Si Chen, Zhenyu Wang, Zejie Tian, Jun He, Yunmei Liu
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  At present, metalloporphyrin compounds demonstrate three main uses as anticancer sensitizers: (1) photosensitizers, (2) photothermal conversion agents, and (3) ultrasound sensitizers. Developing efficient sensitizers for cancer with excellent controllability and biocompatibility is an important goal of oncology medicine. Because of the different structural diversity of anticancer sensitizers, such sensitizers are used for treating cancers by employing a variety of tumor treatment methods such as mature photodynamic therapy, commonly used clinically photothermal therapy and promising sonodynamic therapy. Among the many sensitizers, metalloporphyrin-complex sensitizers attract wide attention due to their excellent performance in tumor treatment and diagnosis. This review briefly describes some metalloporphyrin anticancer drugs and diagnostic agents related to photodynamic, photothermal and sonodynamic therapy, and discusses the roles of metal atoms in these drugs.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-28T10:32:03Z
  DOI: 10.1177/17475198221090914
  Issue No: Vol. 46, No. 2 (2022)
A ruthenium nanocatalyst for the atmospheric hydrogenation of
1,5-cyclooctadiene
- Authors: Chuanchao Liu, Yanhua Wang
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  A ruthenium nanocatalyst is utilized for the first time for the highly efficient and selective hydrogenation of 1,5-cyclooctadiene under atmospheric hydrogen pressure. Under the optimized reaction conditions, the conversion of 1,5-cyclooctadiene and the selectivity for cyclooctene are>99% and 95%, respectively. The turnover frequency is 451 h−1, which is higher than that ever reported for Ru complex catalysts.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-25T01:19:56Z
  DOI: 10.1177/17475198221092945
  Issue No: Vol. 46, No. 2 (2022)
An X-ray photoelectron spectroscopy study of ionic liquids based on a
bridged dicationic moiety
- Authors: Anham Zafar, Tim Evans, Robert G Palgrave, Imtiaz- ud-Din
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  A series of imidazolium and pyridinium-based bridged dicationic ionic liquids have been analysed using X-ray photoelectron spectroscopy. The different electronic environments of the dications have been investigated and a robust fitting model for the carbon C1s region has also been developed. The relative positions of different C1s components and N1s of dications have been determined and their complex C1s photoemission spectra produced from both aromatic and aliphatic carbon states giving photoemission peaks in the binding energy range of 289.0–283.9 eV. A contemporary fitting approach has been applied to a different set of environments which allowing comparison of the binding energies of cationic components of imidazolium and pyridinium-based dicationic ionic liquids. The experimental stoichiometry of all the carbons and nitrogens have also been calculated from XP spectra of the dicationic ionic liquids.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-19T11:05:00Z
  DOI: 10.1177/17475198221092966
  Issue No: Vol. 46, No. 2 (2022)
A new protocol for synthesizing diarylmethanes using a benzyltitanium
reagent as a nucleophile
- Authors: He Zhang
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  The first palladium-catalyzed cross-coupling of various substituted benzyltitaniums with aryl triflates is presented for the synthesis of diarylmethanes in yields of up to 94% through highly selective C–O bond functionalization. The benzyltitaniums act as nucleophiles to realize the C(sp2)–C(sp3) cross-coupling with high efficiency in short reaction times. The reactions proceed at 60°C and show excellent functional groups tolerance.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-19T11:04:28Z
  DOI: 10.1177/17475198221091941
  Issue No: Vol. 46, No. 2 (2022)
A convenient route to mono-trans polyunsaturated free fatty acids
- Authors: Fabrizio Vetica, Anna Sansone, Carla Ferreri, Chryssostomos Chatgilialoglu
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  Trans unsaturated fatty acids in humans may be originated both from dietary supplementation and from an endogenous free-radical-catalyzed cis−trans isomerization of fatty acid residues in naturally occurring cis lipids. The latter process affords geometrical isomers and the polyunsaturated fatty acid mono-trans isomers were demonstrated to be connected with stress conditions in living organisms. Synthesis of mono-trans polyunsaturated fatty acid is useful for analytical and biological research, and in this case, the availability of free fatty acids is needed as well as the possibility of mg scale of the synthetic protocol. Herein, we report a simple synthetic route to mono-trans isomers of arachidonic acid, eicosapentaenoic acid, and docosahexaenoic acid, which includes thiyl radical-catalyzed isomerization reaction of polyunsaturated fatty acid methyl esters and fraction isolation of mono-trans mixture isomers followed by optimization of hydrolysis condition to free fatty acids and purification of each mono-trans polyunsaturated fatty acid. Our approach to mono-trans polyunsaturated fatty acids as free acids can reach the mg scale, thus fostering more applications to biochemical and biological studies.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-18T05:37:39Z
  DOI: 10.1177/17475198221090908
  Issue No: Vol. 46, No. 2 (2022)
Synthesis of a novel nitrogen mustard–conjugated bis-terpyridine
ruthenium(II) complex as a potent anticancer agent that induces cell cycle
arrest and apoptosis
- Authors: Yuanwei Liang, Weiting Huang, Siqi Wang, Weiming Su, Qianyi Situ, Luxin He
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  A fairly small-sized aryl nitrogen mustard–conjugated terpyridine is synthesized in only two steps as a ligand to chelate with RuCl3 to afford a [Ru(tpy-CM)2]Cl2 complex. This complex exhibits prominent antiproliferative activity toward several tumor cells. Further studies conclusively show that the complex suppresses human renal clear cell carcinoma cells (786-O cells) by inducing G1 phase cell cycle arrest and apoptosis. This work provides a synthetic and therapeutic model for nitrogen mustard-containing metal complexes.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-12T05:18:29Z
  DOI: 10.1177/17475198221085482
  Issue No: Vol. 46, No. 2 (2022)
The quest for selenocycles: From an ESR spectrum to a commercial product
- Authors: Carl H Schiesser
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  Selenium compounds have a checkered history. Originally considered to be highly toxic, the tide turned in the 20th century when selenium was discovered to be an essential trace element; indeed, selenium is the least abundant element on Earth to have a well-defined biological role. Despite this new-found importance, organoselenium compounds were largely curiosities because methods for their synthesis were cumbersome and unpleasant and often involved toxic reagents and/or hazardous procedures. This paper describes how work carried out in collaboration with Alwyn Davies in the late 1980s, aimed at acquiring Electron Spin Responance (ESR) spectra of selenophene radical anions and cations, led to the development of free-radical methods for the synthesis of numerous selenium-containing heterocycles, many of which showed interesting and useful biological properties. This journey ends with the development of selenium-containing carbohydrates (selenosugars) that exhibit unique skin-repair properties and the establishment of Seleno Therapeutics as a vehicle for the commercialization of these selenosugars.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-12T05:17:06Z
  DOI: 10.1177/17475198221089514
  Issue No: Vol. 46, No. 2 (2022)
Discovery of an SphK1 inhibitor: A hybrid approach involving a
receptor–ligand-complex-based pharmacophore and docking-based virtual
screening
- Authors: Tiandi Ding, HaiJiao Chen, Yan Li, Ying Li, Ying Zhi, Zhiqiang Qu, Qiang Sun, Qingqiang Yao, Bo Liu
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  Sphingosine kinase is a lipid kinase that catalyzes the phosphorylation of sphingosine to sphingosine-1-phosphate. Sphingosine-1-phosphate is a bioactive lipid that regulates biological processes. The overexpression of sphingosine kinases is related to a variety of pathophysiological conditions. For example, SphK1 has been shown to be highly expressed in various cancer cells including ovarian, cervical, colon, stomach, lung, and brain cancer. Inhibition of sphingosine kinases is a promising way to treat diseases such as cancer. Through computer-aided drug design, we have discovered a new SphK1 inhibitor named Amb30572637 (SAMS10). In this report, we describe the discovery process and biological characteristics. In biochemical experiments, SAMS10 shows a prominent inhibitory effect on SphK1, with an IC50 value of 9.8 μM. Subsequent MTT experiments show that SAMS10 has anticancer effects toward A549, SKVO3, A375, and LOVO cell lines and has essentially no cytotoxicity against the healthy cell L929. SAMS10 has significant inhibitory activity against the A549 and LOVO cell lines, with IC50 values of 14.64 and 14.48 μM, respectively. It belongs to a moderately active SphK1 inhibitor with lower anticancer activity than the control compound cisplatin, but the effect of SAMS10 toward SphK1 and its anticancer activity indicate that it is a promising lead compound for the development of effective SphK1 anticancer inhibitors.
  Citation: Journal of Chemical Research
  PubDate: 2022-04-07T09:29:46Z
  DOI: 10.1177/17475198221089222
  Issue No: Vol. 46, No. 2 (2022)
Synthesis and characterization of a series of complexes with enhanced
visible-light photocatalytic hydrogen evolution
- Authors: Yanju Huang, Jiayin Wang, Jun Zhang
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  The complexes [Ni(HNOR)2]n·5nH2O (1), [Cd(HNOR)2]n (2), [Zn(HNOR)2·2H2O] (3), and [Co(H2NOR)2·2H2O]n·2nNO3 (4) (H2NOR = norfloxacin) are synthesized by a hydrothermal process. The structures of the complexes are determined by single-crystal X-ray diffraction. The complexes are also characterized by infrared and elemental analysis. At the same time, the promoter catalytic properties of the complexes are studied under visible light, with complex 1 enhancing the catalytic performance of gCN from 407.4 to 914.1 μmol h−1 g−1 and complex 4 enhancing the catalytic performance of gCN from 407.4 to 943.9 μmol h−1 g−1. Complexes 1 and 4 significantly enhance visible-light photocatalytic hydrogen evolution.
  Citation: Journal of Chemical Research
  PubDate: 2022-03-25T11:48:40Z
  DOI: 10.1177/17475198221085541
  Issue No: Vol. 46, No. 2 (2022)
Structure–activity relationship of an A-site-doped LaNiO3/SiO2
catalyst
- Authors: Junxia Wu, Caimei Miao, Fenfang Mu, Xiaoyan Wang, Jie Bai, Hong Wang
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  Improving the anti-carbon deposition and anti-sintering ability under the premise of maintaining high catalytic activity is the core issue of Ni-based catalysts applied in CO methanation reactions. To address this issue, a La0.75A0.25NiO3/SiO2 (A = Ce, Sr, Sm, and Ca) catalyst is prepared via a citric acid complexation method. XRD results show that the substituted elements (Sr, Sm, and Ca) enter the LaNiO3 lattice and partially replace the A-site element La. The reduced Ni0 is beneficial to improve the medium temperature activity of the catalyst. The substitution of different elements produces different electronic effects that significantly affect the size of the Ni particles and the interaction between Ni and La2O3. The catalyst with doped Ca2+ as the A-site substituted element demonstrates better adsorption, storage, and migration capabilities for oxygen due to the lattice distortion that easily produces oxygen vacancies. Catalysts doped with Sr, Sm, and Ca as the A-site substituted element produce La2O2CO3 after the reactions, which plays a role in eliminating carbon deposits.
  Citation: Journal of Chemical Research
  PubDate: 2022-03-12T08:47:40Z
  DOI: 10.1177/17475198211055091
  Issue No: Vol. 46, No. 2 (2022)
Obtaining elemental sulfur for Martian sulfur concrete
- Authors: Aaron Barkatt, Masataka Okutsu
  Abstract: Journal of Chemical Research, Volume 46, Issue 2, March-April 2022.
  A potential candidate material for the construction of Mars habitats is concrete made from the Martian regolith and sulfur extracted from the regolith itself. Sulfur concrete, which has excellent mechanical properties, can be prepared at a low temperature (
  Citation: Journal of Chemical Research
  PubDate: 2022-03-05T09:25:37Z
  DOI: 10.1177/17475198221080729
  Issue No: Vol. 46, No. 2 (2022)