Journal list menu
- Issue
ChemistrySelect: Volume 5, Issue 38
11713-12037October 15, 2020
Export Citations
Cover Pictures
Full Papers
Catalysis
Pyrolysis of Deep Eutectic Solvents for the Preparation of Supported Copper Electrocatalysts
- Pages: 11714-11720
- First Published: 09 October 2020

Preparation of novel copper catalysts, consisting of metallic copper supported on a carbon material rich in oxygen and nitrogen functional groups, is presented. Electrochemical activity of the prepared materials was correlated with material preparation parameters. Electrochemical CO2 reduction lead to formate production with formation rates up to 85.5 μmol h−1 cm−2.
Preparation of a Sulfonic-Acid-Type Ordered Mesoporous Carbon Solid Acid via Hydrothermal Synthesis for the Transesterification of Waste Frying Oil
- Pages: 11721-11729
- First Published: 09 October 2020

An ordered mesoporous carbon was synthesized successfully by hydrothermal carbonization method, and a high-density sulfonic acid group solid acid catalyst was prepared (HOMC-SO3H) via low-temperature concentrated sulfuric acid sulfonation. In addition, their catalytic performance has been deeply studied by the kinetics of transesterification of waste frying oil with methanol. The HOMC-SO3H exhibited a high catalytic activity that the yield of fatty acid methyl esters could reach 95 % at 180°C for 5 h.
Materials Science inc. Nanomaterials & Polymers
Phosphate Anion Imprinted Cryogel Cartridges for Selective Preconcentration of Phosphorylated Amino Acids from Protein Lysate: An Alternative Sorbent for Proteome Analyses
- Pages: 11730-11736
- First Published: 09 October 2020

Phosphate ion-imprinted cryogel cartridges for the selective preconcentration of phosphoproteomic lysates were synthesized in existence of calcium ions based on molecular imprinting approach which transfers biorecognition features of biological systems into polymeric structures. Cryogel cartridges are selectively recognizing both phosphate ion and phosphorylated amino acids and have an adsorption capacity of 2.09 mg/g, a reusability feature such as five consecutive cycles without a significant decrease in the adsorption capacity, and selectively recognize feature against three amino acids (Tyrosine, Threonine, Serine).
Communications
Materials Science inc. Nanomaterials & Polymers
Graphene Oxide Thin Films: Synthesis and Optical Characterization
- Pages: 11737-11744
- First Published: 15 October 2020

Graphene oxide (GO) thin films were synthesized and the compositional (x), vibrational, and optoelectronic properties are investigated. DFT predictions of Eg(x) agree well with the experimental results, providing evidence of oxygen-mediated charge-transport scattering. These results suggest that GO samples exhibit optoelectronic response useful in developing photodetectors and emitter devices in the MIR spectral range.
Full Papers
Materials Science inc. Nanomaterials & Polymers
Physicochemical Comparison of Chitin Extracted from Horseshoe Crab (Limulus polyphemus) Exoskeleton and Exuviae
- Pages: 11745-11752
- First Published: 09 October 2020

Limulus Polyphemus inhabits along the western, northern, and eastern coasts of the Yucatán peninsula. Its exoskeleton and exuvia can be found as natural waste. Limited information is known about Mexican Horseshoe Crab concerning its structure, surface morphology and physicochemical properties of its natural components. This paper focuses in identifying such features to be compared between both the exoskeleton and exuvia.
Medicinal Chemistry & Drug Discovery
Synthesis, Characterization, Antimicrobial Evaluation, and Computational Investigation of Substituted Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives
- Pages: 11753-11763
- First Published: 09 October 2020
![Synthesis, Characterization, Antimicrobial Evaluation, and Computational Investigation of Substituted Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives](/cms/asset/de0e888c-e361-4882-a924-4ca2b63ecfb6/slct202002821-toc-0001-m.jpg)
In the present work novel substituted 2,6-disubstituted and 2,5,6-trisubstituted imidazo[2,1-b][1,3,4]thiadiazole derivatives were synthesized. The structures of all synthesized compounds were characterized using various analysis techniques. The synthesized compounds were evaluated for antifungal and antibacterial activities. According to the results of the biological activity tests, some of the synthesized compounds showed moderate to high levels of biological activity. Also, our experimental and theoretical results exhibit a well coherence with each other.
Communications
Catalysis
Nanosheets Decorated MoS2 Micro Balls: Effect of 1T/2H Composition
- Pages: 11764-11768
- First Published: 09 October 2020

1T/2H phase MoS2 with morphology of Nanosheets Decorated Micro Balls has been synthesized with 1-step hydrothermal process. MoS2 nanoflowers were prepared in 2-ways, 1st without using reducing agent & 2nd with reducing agent (RA). Morphologically, there is no much difference in MoS2 prepared with & without RA but increment in active sites density was observed. Presence of 1T & 2H phase MoS2 was detected by structural characterization. It show remarkable electrocatalyst performance for Hydrogen Evolution Reaction application.
Full Papers
Materials Science inc. Nanomaterials & Polymers
One-step Preparation of Conducting Polymer/Metal Oxide Doped RGO Trinary Composite for Supercapacitor Applications
- Pages: 11769-11777
- First Published: 09 October 2020

Herein, the development of one-step synthetic method to prepare RGO/PANI/MnO2 hybrid trinary composite by one arrow two targets approach. This trinary material has achieved excellent specific capacitance with venerable cyclic stability moreover high power and energy density. This conversant method of direct production of graphene with the synergism of PANI-MnO2 on carbon framework can be beneficial for large-scale fabrication of nano-carbon material for various applications including energy storage.
Medicinal Chemistry & Drug Discovery
Hydroxy Piperlongumines: Synthesis, Antioxidant, Cytotoxic Effect on Human Cancer Cell Lines, Inhibitory Action and ADMET Studies
- Pages: 11778-11786
- First Published: 09 October 2020

Hydroxy piperlongumines were synthesized from a anticancer natural product, piperlongumine. Monohydroxy piperlongumine (MHPL) exhibited high cytotoxic efffect against five human cancer cell lines. MHPL is a potent antioxidant, upregulates apoptotic genes and down regulate anti-apoptotic gene in HeLa cells.
Catalysis
Efficient Photocatalytic Degradation of Ibuprofen under Visible Light Irradiation Using Silver and Cerium Co-Doped Mesoporous TiO2
- Pages: 11787-11796
- First Published: 09 October 2020

This work is focused on the preparation of the new and robust photocatalysts (Ce-Ag/TiO2) by two different methods. The effect of preparation method is tested in the photodegradation of ibuprofen, chosen as a pharmaceutical pollutant model. The almost complete mineralization (98 %) of Ibuprofen, was achieved under simulated solar light after 4H with photocatalyst obtained by co-deposition precipitation with urea. Therefore, this catalyst could be suitable for the treatment of pharmaceuticals in aqueous media using solar light as the energy source.
Organic & Supramolecular Chemistry
Studies Towards the Synthesis of Pristinamycin IIA
- Pages: 11797-11802
- First Published: 09 October 2020
Catalysis
Asymmetric Hydrogenation of Acetophenone Catalyzed by Chirally Modified Ruthenium Nanoparticles Supported on Carbon Nanotubes
- Pages: 11803-11810
- First Published: 09 October 2020

Two efficient catalysts named Ru@CNTs(S) and Ru/CNTs(S) with the Ru nanoparticles supported inside and outside the carbon nanotubes were prepared, respectively. Catalytic asymmetric hydrogenation of acetophenone with the two catalysts at the presence of (1S, 2S)-DPEN as modifier and TPP as stabilizer were investigated. It showed that the highest ee values of 80.8 % and 76.4 % were achieved using the catalysis of Ru/CNTs and Ru@CNTs, respectively. The factors that influence the reaction were also well investigated.
Nanonickel Oxides Prepared by Atomic Layer Deposition as Efficient Catalyst for the Dehydrogenation of N-Heterocycles
- Pages: 11811-11816
- First Published: 09 October 2020

Highly efficient dehydrogenation of N-heterocycles catalysed by nanonickel oxides features excellent functional tolerance, mild conditions and operational simplicity. The nickel-based heterogeneous catalyst was prepared by atomic layer deposition which has advantages of excellent activity and stability for multiple reuse.
Medicinal Chemistry & Drug Discovery
Identification of Imidazolylpyrazole Ligands as Potent Urease Inhibitors: Synthesis, Antiurease Activity and In Silico Docking Studies
- Pages: 11817-11821
- First Published: 09 October 2020

This research was aimed to prepare a series of imidazole-pyrazole conjugates and evaluate these scaffolds for their inhibiting potentials against urease enzyme. Two most promising urease inhibitors of the series were nitro substituted compounds 4 k and 4 l. This explorative study involved preliminary biological in-vitro evaluation of the synthesized compounds and in silico molecular docking calculations which facilitated in indentifying new potent core structures that could lead to better anti-urease drug candidates.
Communications
Organic & Supramolecular Chemistry
Synthesis and Characterization of Novel and Promising 1,2,4,4-Tetranitropyrazolidine-3,5-dione for High Energy Materials Application†
- Pages: 11822-11824
- First Published: 09 October 2020

Polynitro compounds exhibit good explosive properties, used in defence and mining applications. Especially compounds with density >2 g/cc and detonation velocity >9 Km/s shows good explosive properties. This report describes the synthesis of novel and promising compound 1,2,4,4-tetranitropyrazolidine-3,5-dione (ACRAJONE) from commercially available starting material diethyl malonate in 4 simple steps. The compound ACRAJONE shows density >2 g/cc, detonation velocity >9 Km/s and useful for explosive applications.
Full Papers
Medicinal Chemistry & Drug Discovery
Design, Synthesis and Pharmacological Evaluation of N-Benzyl Linoleamide Analogues from Tropaeolum tuberosum as NF-κB Inhibitors and Nrf2 Activators
- Pages: 11825-11836
- First Published: 12 October 2020

Macamides are natural products of endocannabinoid structure, which are pharmacologically valuable in the treatment of neurological diseases. This work shows the synthesis of 19 analogues of N-benzyl linoleamide. We conclude that the synthesised analogues have high efficiency and selectivity against the NF-κB and Nfr2 targets, which are present within the processes of migraine.
Inorganic Chemistry
Improved In Vitro Antimycobacterial Activity of Trinuclear Complexes Cobalt(II,III) and Iron(III) with 2-Furoic Acid against Mycolicibacterium smegmatis
- Pages: 11837-11842
- First Published: 09 October 2020

Using alternative experimental conditions (inert and air atmospheres, a number of homometallic furoate complexes were obtained: a compound with linear structure [CoII3(fur)6(phen)2], an oxo-centered complexes triangular structure [CoIII2CoIIO(fur)6(H2O)3], [Fe3O(fur)6(THF)3] and hexanuclear complex [CoII6(piv)8(Hpiv)4(fur)2(OH)2] (3). All obtained complexes exhibit biological activity in vitro against Mycolicibacterium smegmatis.
Catalysis
Heterogeneous Cu(I)-SBA-15 Mediated Catalytic Reduction of Substituted Nitroarenes
- Pages: 11843-11849
- First Published: 09 October 2020

This paper includes, a strategy has been developed for catalytic reduction of the environmental pollutants of various nitroarenes into useful arylamines in excellent yield by heterogeneous copper(I) mesoporous silica [Cu(I)-SBA-15] material. The [Cu(I)-SBA-15] catalyst is attempted by various strategies since, the alcothermal method only provided the desired catalyst and characterized. Functionalities such as methyl, phenoxy, iodo, bromo, amino and acid are well tolerated in this reduction catalytic system under the optimized condition. The performance of catalyst is investigated for consecutive four cycles of reduction with good recoverability and recyclability. The reduction of nitroarenes proceeds through pseudo first order reaction by kinetic studies and the controlled mechanistic studies supports the reaction undergoes direct reduction mechanistic pathway.
Communications
Biological Chemistry & Chemical Biology
Kaurenoic Acid Induces Cell Cycle Arrest and Apoptosis in the MCF-7 Breast Cancer Cell Line
- Pages: 11850-11853
- First Published: 09 October 2020
Full Papers
Analytical Chemistry
Thermally Responsive Anti-Protein Adsorption Coated Capillary for Electrophoretic Analysis of Proteins
- Pages: 11854-11861
- First Published: 09 October 2020

A temperature response anti-protein adsorption polymer (PEGDA-DTT-dithiols) is used as a capillary electrophoresis coating, which has good stability and protein analysis capabilities. The temperature-sensitive features give the coating good self-cleaning properties, which can effectively extend the service life of the coating capillary.
Energy Technology & Environmental Science
In Situ Polymerized Methacrylate Based Electrolyte for Lithium-Ion Batteries
- Pages: 11862-11865
- First Published: 09 October 2020

In-situ polymerized methacrylate-based electrolyte is developed using a pre-polymer electrolyte composed of 2-(trimethylsilyloxy)ethyl methacrylate (monomer), 2,2′-azobis(2-methylpropionitrile) (initiator), and conventional carbonate-based electrolyte. Only aging process of the cell at 45 °C allows formation of gel-type polymer electrolytes via in-situ polymerization in the assembled coin-cell, which is well compatible with lithium titanium oxide anode.
Biological Chemistry & Chemical Biology
Design of an Automated Electrochemical Biosensor Modified with Phenylboronic Acid to Study Glycoprotein Immobilization
- Pages: 11866-11873
- First Published: 09 October 2020

Boronic acid modified self-assembled monolayers can be formed on gold electrodes for the immobilizations of glycoproteins and antigen detection biosensors can be fabricated. It was successfully fabricated a new phenylboronic acid self-assembled layer on gold electrodes for immobilization of glycoproteins. An automated electrochemical biosensor with a microfluidic was used for the first time, glycoprotein immobilization via boronic acid resulted in high sensitivity and fast response for detection.
Organic & Supramolecular Chemistry
Cholesterol-Coupled Diazine-Phenol Gelator: Cyanide Sensing, Phase-Selective Gelation in Oil Spill Recovery and Dye Adsorption
- Pages: 11874-11881
- First Published: 13 October 2020

Cholesterol-appended diazine-phenolic compound 1 has been designed and synthesized. Gelator 1 forms stable gels from various solvents. The 1,4-dioxane-H2O gel of 1 is CN− -responsive and exhibits gel-to-sol transformation with color and fluorescence changes. Gelator 1 also exhibits phase-selective gelation behaviour with water-immiscible solvents. Such phase-selective gelation of 1 is employed in oil spill recovery and purification of dye-contaminated water.
Catalysis
Aerobic Oxidation of Styrene over Indium-Impregnated Mesoporous Silica: Distinctive Effect of Supports on Epoxidation Activity
- Pages: 11882-11889
- First Published: 13 October 2020

A series of indium-impregnated mesoporous silica catalysts were synthesized and used for styrene epoxidation reaction. The supports were found to have a great impact on catalytic activity. Lager surface area, larger pore diameter, more hydrophobicity and higher surface acidity were observed to be the deciding factor for better activity and higher metal dispersion, more reducibility and more oxygen uptake were found to be the key enablers for better selectivity.
Inorganic Chemistry
Triazole-Modified Molybdenum Oxide with High Proton Conductivity
- Pages: 11890-11895
- First Published: 13 October 2020

Two triazole-modified molybdenum oxides, [MoO3(triazole)0.5] 1 and [H(atrz)]4[(atrz)2(γ-Mo8O26)] ⋅ 2H2O 2 (trz=1,2,4-triazole, atrz=3-amino-1,2,4-triazole), were re-synthesized under optimized synthetic conditions and their proton conduction properties were investigated. They show remarkable proton conductivities, 1.94×10−2 S cm−1 (85 °C, 95 % RH) for 1 and 1.3×10−3 S cm−1 (65 °C, 95 % RH) for 2.
Communications
Inorganic Chemistry
Mechanistic Insights into the Synthesis of Telluride Colloidal Quantum Dots with Trioctylphosphine-Tellurium
- Pages: 11896-11900
- First Published: 13 October 2020

The solution of tellurium in trioctylphosphine (TOP) is a key precursor in the synthesis of telluride nanostructures. 125Te and 31P NMR spectroscopy was applied to study the solutions of Te in different Te:TOP ratios. Unknown P−Te species were identified. Next quantum-chemical simulation of chalcogene-trialkylphosphine adducts revealed the nature of unforeseen P−Te adducts. The studied solution was applied in the synthesis of HgTe nanocrystals.
Full Papers
Materials Science inc. Nanomaterials & Polymers
Mesoporous Si-MCM-41/Polymer as a pH-Responsive Drug Delivery System for Cancer Therapy
- Pages: 11901-11909
- First Published: 13 October 2020

A biocompatible polymer Nanocomposites based on MCM-41 nanoparticles (MCM-41-NH2) and copolymer grafted chitosan by acrylamide and acrylic acid as a pH-sensitive polymer was designed and this employed for targeted anticancer drug delivery. DOX was loaded into the synthesized polymer. Free DOX diffuse rapidly into nucleus, and kill cancerous cells by interaction with DNA. Using DOX-loaded into the mentioned polymer can be decreased the toxicity effects of Doxorubicin (DOX) on the normal cells and enhance its efficiency on the tumorous cells.
A Novel Low-Cost Approach to Chloromethylated MIL-101(Cr) Using p-Xylene as Starting Material
- Pages: 11910-11914
- First Published: 13 October 2020

The incorporation of functional groups on the organic linker can be achieved by pre-modification and post-modification. Chloromethylation reaction is of value in synthetic work because the reactive chlorine atom can be substituted by any nucleophilic reagent. An efficient low-cost three-step route was designed based on chloromethylation of p-xylene (step 1), oxidation of chloromethylated p-xylene to form chloromethylated terphthalic acid (step 2) and hydrothermal synthesis to form MIL-101(Cr) structure (step 3).
Catalysis
Novel Access to Known and Unknown Thiourea Catalyst via a Multicomponent-Reaction Approach
- Pages: 11915-11920
- First Published: 13 October 2020

Several thiourea compounds were synthesized using a multicomponent-reaction (MCR) approach and were evaluated for their catalytic activity. p-(Alkylsulfonyl)phenyl and dialkylisophtalic acid ester moieties were shown to be suitable functional groups, activating thiourea catalysts in a similar magnitude as the typically used 3,5-bis(trifluoromethyl)phenyl groups.
Organic & Supramolecular Chemistry
Morita-Baylis-Hillman Reaction Accessing GABA Intermediates: Synthesis of New Lipophilic Hydroxylated γ-Nitroesters
- Pages: 11921-11926
- First Published: 13 October 2020

A series of new lipophilic hydroxylated α-alkyl γ-nitroesters, advanced γ-aminobutyric acid (GABA) intermediates, was synthetized using the Morita-Baylis-Hillman (MBH) reaction as key step. The results show that long-chain MBH adducts can be synthesized in good yields, with atom-economy and involving a metal free organocatalytic system. The γ-nitroesters were successfully converted into lipophilic hydroxylated γ-butyrolactams GABAs analogues contend γ-aminobutyric core, demonstrating the utility of these method towards the synthesis of new drug for the treatment of neurodegenerative diseases.
Sustainable Chemistry
Molten Salt Treated Cu Foam Catalyst for Selective Electrochemical CO2 Reduction Reaction
- Pages: 11927-11933
- First Published: 13 October 2020

We used a molten salt method to control the oxidation of Cu-foam and obtain the catalyst with a skeleton structure of Cu2O. The catalyst exhibits a current density of 30 mA cm−2 (−1.4 V versus reversible hydrogen electrode) and reaches a ratio of C2H4 to CH4 as high as 871. In high CO2 presses reaction, it found that the molten salt treated catalysts could be applied to the direct synthesis of multi-carbon fuels.
Organic & Supramolecular Chemistry
Catalytic Access to Succinimide Products Containing Stereogenic Quaternary Carbons
- Pages: 11934-11938
- First Published: 13 October 2020

Succinimide product diversification is explored with an emphasis on providing highly enantioenriched succinimide products with stereogenic quaternary carbons and an easy to remove nitrogen protecting group. To achieve this, unsymmetrical α-branched aldehydes (1.2 equiv) were added to N-benzylmaleimide (1.0 equiv) using 5 mol % of a commercially available catalyst: O−tBu−L-threonine.
Electro, Physical & Theoretical Chemistry
The Charge Transfer Complex Formed between the Components of Photopolymer Material as an Internal Sensitizer of Spectral Sensitivity
- Pages: 11939-11947
- First Published: 13 October 2020

One of important objectives in the development of photopolymer materials is to increase their sensitivity range. Generally, this is achieved by introducing an additional sensitizer that absorbs in a selected spectral band and forming multicomponent photoinitiating systems. Using charge transfer complexes as photoinitiating systems is a rather promising approach. This work presents a new type of CTC formed between the sulfonium salt and the sulfur-containing aromatic monomer to be considered as an internal sensitizer-photoinitiator of photopolymerization.
Inorganic Chemistry
A Ligand-Doped Silver Triazolate MOF on the Removal of Diclofenac Sodium via Anion Exchange
- Pages: 11948-11954
- First Published: 13 October 2020

A ligand-doped silver triazolate MOF {[Ag8(Ph2tz)5.6(tBu2tz)0.4](BF4)2(H2O)6} (AgTz-1/2) was successfully synthesized and demonstrated better efficiency on the adsorptive removal of diclofenac sodium from water at higher pH value (pH 10) in comparison with the non-doped parent MOF. The adsorption capacity at low concentration as well as the reaction rate is remarkable among those reported traditional and MOF materials.
Kinetics and Mechanism of Leaching Potassium from Biotite in H2SO4 Solution
- Pages: 11955-11960
- First Published: 13 October 2020

Recovering potassium from biotite in H2SO4 solution is prospective for solving the shortage of potassium salt resources in China. The present study focuses on the efficiency of leaching potassium from biotite and the behavior of dissolving biotite in H2SO4 solution. A kinetics expression determined by diffusion-controlled shrinking core model is appropriate to predict the leaching efficiency, which is helpful to the design of leaching process for recovering potassium sustainably from biotite.
Materials Science inc. Nanomaterials & Polymers
Preparation and Comparison of Chemical Properties of Phenazasiline Monomer, Dimer, Trimer, and Polymer
- Pages: 11961-11967
- First Published: 13 October 2020

New series of phenazasiline diboronic acid esters (B-Phz-Bs) were prepared. B-Phz-Bs show unique optical properties due to the intra-molecular π-B interaction. The reactions of B-Phz-B with monobromo-phenazasiline (Me-Phz-Br) gave terphenazasilines (Me-3Phz-Me), and Br-Phz-Br gave poly-(phenazasiline) (PPhz), respectively. The effect of the degree of polymerization of phenazasiline derivatives on chemical and electrochemical properties was estimated.
Organic & Supramolecular Chemistry
[2,3-Bis-(2-pyridyl) pyrazine] as an Efficient Organocatalyst for the Direct C(sp2)-H Arylation of Unactivated Arenes/Heteroarenes via C−H Bond Activation
- Pages: 11968-11975
- First Published: 13 October 2020
![[2,3-Bis-(2-pyridyl) pyrazine] as an Efficient Organocatalyst for the Direct C(sp2)-H Arylation of Unactivated Arenes/Heteroarenes via C−H Bond Activation](/cms/asset/1d7d7576-4fb7-4ad4-8d55-1ec5a8529b2d/slct202003140-toc-0001-m.jpg)
A new organocatalyst [2,3-bis-(2-pyridyl)pyrazine] has been identified for the direct C(sp2)-H arylations of an aryl halides with unactivated arenes/heteroarenes via C(sp2)-H bond activation is reported. This protocol is operationally simple and showed a broad range of functional group tolerance and substrate affinity. The wide substrate scope, high functional group tolerance, control/competition experiments, gram-scale synthesis and kinetic studies further exemplify the importance and versatile nature of novel organocatalyst in this direct C(sp2)-H arylations methodology.
A Harmonized Applied and Theoretical Exploration for Nanomolar Level Recognition of Perilous F− and CN− by Multichannel Chemosensor: Proposition of Hg2+-Mediated Logic Gate Imitator
- Pages: 11976-11985
- First Published: 13 October 2020

In the pursuit of detecting F− and CN− selectively by a single multichannel chemosensor, PMA (9-anthracenecarboxaldehyde pentafluorophenylhydrazone) has been synthesized, which can detect F− (detection limit of 76 nm) more promisingly in compared to CN− (detection limit of 92 nm) owing to the smaller size and more electronegativity of F−. Moreover, all the theoretical outcomes along with potential energy surface scanning well corroborated with the experimental findings affirming stronger affinity of PMA towards F−.
Catalysis
Improved Photocatalytic Activity of g-C3N4/ZnO: A Potential Direct Z-Scheme Nanocomposite
- Pages: 11986-11995
- First Published: 13 October 2020

g-C3N4/ZnO nanocomposite was synthesized and characterized using various techniques. The synthesized heterostructure showed efficient visible light harvesting and charge separation properties resulting in a high photocatalytic performance for the degradation of organic pollutants from water bodies. The reaction follows a pseudo first-order kinetics with a Z-scheme mechanism. These nanocomposites exhibited outstanding stability and reusability.
Mechanistic Insights into the N-Heterocyclic Carbene Catalyzed Synthesis of α,δ-Diketones: A DFT Approach
- Pages: 11996-12008
- First Published: 13 October 2020

A mechanistic profile has been developed for N-heterocyclic carbene (NHC) catalyzed synthesis of α,δ-diketone from p-methoxybenzaldehyde and E-chalcone using density functional theory (DFT) method. The reaction has been accomplished via umpolung strategy and generated Breslow intermediate served the origin of umpolung strategy. The role of NHC in this catalytic cycle has been explored using conceptual DFT and frontier molecular orbital analyses.
Energy Technology & Environmental Science
Multifunctional Cathodic Interlayer with Polysulfide Immobilization Mechanism for High-Performance Li-S Batteries
- Pages: 12009-12019
- First Published: 13 October 2020

A highly efficient polyvinylidene fluoride//carbon-molybdenum disulfide (PVDF//C–MoS2) interlayer with polysulfide immobilization mechanism for high-performance Li−S batteries has been developed by direct deposition on the sulfur cathode. The PVDF//C−MoS2 interlayer exhibits the polysulfide adsorption and trapping capabilities, which reduces the shuttling effects and also slows down the self-discharge in Li−S batteries. The Li−S cells based on PVDF//C−MoS2 interlayers deliver discharge capacities with 0.04 % capacity decay per cycle at 1 C after 1500 cycles and also show low self-discharge after resting for a long time.
Materials Science inc. Nanomaterials & Polymers
Effects of Activation Process on Catkin Derived Carbon Materials and Its Electrochemical Performance as Matrix in Cathode of Li-S Battery
- Pages: 12020-12027
- First Published: 13 October 2020

Willow catkin was selected as raw material to fabricate porous carbon material due to its tubular microstructure in nature, which exhibited high specific surface area and efficient mass transfer. The activation process imposed significant influence on microstructure and electrochemical performance of carbon product as matrix in cathode of Li−S battery.
Analytical Chemistry
Two-Fragment-Dummy-Template Molecularly Imprinted Polymers Mn Doped ZnS Quantum Dots Based Room-Temperature Phosphorescene Probing for Hepatotoxic Homologues of Microcystin
- Pages: 12028-12033
- First Published: 13 October 2020

Two-fragment-dummy-template molecularly imprinted polymers-Mn doped ZnS QDs (FMIP−Mn doped ZnS QDs) were synthesized by surface imprinting technique and specifically recognize microcystin (MC), especially MC–LR, MC-RR and MC-YR. The introduction of dummy template reduced the toxicity and cost of MC as template in the synthesis process. The FMIP-1 have distinct linearly RTP quenching toward MC in the concentration range of 0.0025–0.0175 nM. This method was applied to detect MC in water and freshwater products.
Communications
Organic & Supramolecular Chemistry
K2CO3-Promoted Pyrazoles Synthesis from 1,3-Dipolar Cycloaddition of N-Tosylhydrazones with Acetylene Gas
- Pages: 12034-12037
- First Published: 13 October 2020

1,3-Dipolar cycloaddition of N-tosylhydrazones with acetylene gas on balloon was investigated. Bases and solvents were screened and K2CO3 was verified to be an efficient base to promote this process. A series of pyrazoles were provided in mediate to good yields. This process was easy to handle and suitable to the industrial application.