Volume 134, All articles
Continuous Article Publishing mode
Article ID 0124 Published: 18 December 2022
A2B corroles: fluorescent signalling system for Hg2+ ion
A2B free base corroles were synthesized, characterized, and demonstrated as Hg2+ ion sensors. These corroles are highly selective towards the Hg2+ ions and depend on the halogen group substituted on the meso phenyl group.
Article ID 0123 Published: 17 December 2022
Targeting growth of breast cancer cell line (MCF-7) with curcuminpyrimidine analogs
Curcumin-pyrimidine analogs are synthesized and screened against MCF-7 and MDA-MB-231 cancer cell lines. Two analogs showed higher antiproliferative activities against MCF-7 with IC50 values of 4.95 and 0.61 µM. These compounds induce apoptosis in cycle analyses, inhibit colony formation, and show good binding interactions in molecular docking studies.
Article ID 0122 Published: 16 December 2022
Cerium-ion-exchanged copper silicate: for catalytic methanol dehydrogenation
CAO SON DO HOANG ANH NGUYEN VIET HAI LE NGUYEN THAI HOANG LE THANH NGUYEN HUYNH THI MAI HUONG NGUYEN DAI LAM TRAN THI NAM PHAM NGUYEN THI THU TRANG
The dehydrogenation of methanol to hydrogen and methyl formate was studied using microporous Ce-ion-exchanged coppersilicate (Ce-CS) catalysts. The TEM images and evolution of structure based on in-situ XRD evidenced the formation of copper to stabilize the coppersilicate structure and enhance the catalytic activity.
Article ID 0121 Published: 13 December 2022
Efficient synthesis of 3-aminocarbazoles from N-sulfonyl-1,2,3- triazoles and 2-alkenylindole
SHANMUGAM RAJASEKAR KUPPAN RAMACHANDRAN PAZHAMALAI ANBARASAN
An efficient two-step protocol for synthesizing 3-aminocarbazoles has been accomplished from N-sulfonyl-1,2,3-triazoles and 2-alkenylindoles.
Article ID 0120 Published: 6 December 2022
Novel CAL-B catalyzed synthetic protocols for pyridodipyrimidines and mercapto oxadiazoles
ANUSAYA S CHAVAN ARUN S KHARAT MANISHA R BHOSLE SAMBHAJI T DHUMAL RAMRAO A MANE
CAL-B, catalyzed efficient one pot synthetic routes have been first time developed for getting better to excellent yields of the 5-aryl-9,10-dihydropyrido[2,3-d:6,5-d']dipyrimidine-2,4,6,8(1H,3H,5H,7H)-tetraones (3a-k) and 5-(p-substituted phenyl)-1,3,4-oxadiazole-2-thiol (6a-b).
Article ID 0119 Published: 6 December 2022
HIMANGSHU MONDAL SHANTI GOPAL PATRA PRATIM KUMAR CHATTARAJ
A series of intra-molecular frustrated Lewis pairs (FLPs) are designed by changing the base centers (group 15) and acid centers (group 13). These FLPs are considered to study the ring opening reactions of cyclic ethers and thioethers. It is concluded that the P/Al FLP is the best choice.
Article ID 0118 Published: 3 December 2022
Metal-free C(sp3)-H Bromination: Synthesis of Phenacyl bromide and Benzyl bromide derivatives
SOURAV MAL SATINATH SARKAR MANORANJAN JANA
Synopsis: Synthesis of phenacyl bromides has been achieved under transition metal-free conditions. Some observations on substituted toluene systems have also been reported. In both cases, C(sp3)-H bromination has taken place at room temperature in the presence of phenyliodine diacetate (PIDA).
Article ID 0117 Published: 25 November 2022
RASHEEDA M ANSARI DILEEP RAMAKRISHNA BADEKAI RAMACHANDRA BHAT
A Schiff base derived from the condensation reaction between 2-aminoacetophenone and salicylaldehyde was involved in the formation of four different metal complexes, i.e., with Nickel, Cobalt, Iron, and Copper. The synthetic route to forming these complexes followed an easy process, and the complexes were obtained in good yields.
Article ID 0116 Published: 24 November 2022
Electrophilic amination of diarylcadmium reagents: the effect of aminating reagent’s structure
Article ID 0115 Published: 23 November 2022
Synthesis and ferroelectric behaviour of an axially symmetric octahedral [Cu6L8]12+ cage
RANI GOURKHEDE NEETU PRAJESH RISHABH GUPTA RAMAMOORTHY BOOMISHANKAR
A new discrete octahedral metal-ligand cage was prepared by employing a flexible tripodal phosphoramide ligand. The polarization in this assembly originates from the toggling of the nitrate anions and its long-range order assisted by solvate molecules of water. The ferroelectric measurements of the cage gave a well-defined rectangular P-E hysteresis loop with a remnant polarization value.
Article ID 0114 Published: 23 November 2022
LIPSA PRIYADARSINEE HIMAKSHI SARMA G NARAHARI SASTRY
The viral attachment and fusion of Nipah and Hendra virus was explored through the interaction between viral glycoprotein and the host cell surface ephrin protein. The MD simulation results displayed more stability in Nipah and Hendra glycoprotein with EFNB2 as compared to EFNB3. The residue Glu533 in the central cavity of HeV/NiV glycoprotein protein identified as the potential hotspot in binding with the G-H loop of EFNB2.
Article ID 0113 Published: 22 November 2022
SUBHASH ASHU CHAUDHARY JYOTI MANISH KUMAR NAVEEN KUMAR NEERAJ K AGARWAL
Antimicrobial, DFT, and Docking representation of Cobalt (II) macrocyclic complexes
Article ID 0112 Published: 18 November 2022 SpringChem
Ruthenium-catalyzed acceptorless dehydrogenation of heterocycles
DEEPSAGAR MANIKPURI DEEPAK RANJAN PRADHAN BASUJIT CHATTERJEE CHIDAMBARAM GUNANATHAN
A simple and readily accessible dinuclear monohydrido bridged ruthenium complex [{(η6-p-cymene)RuCl}2(μ-H-μ-Cl)] is reported as a catalyst for acceptorless dehydrogenation of heterocycles. The proposed mechanism involves initial N–H activation of heterocycles by the metal center followed by isomerization, which provides the product N-heteroarenes with the liberation of molecular hydrogen.
Article ID 0111 Published: 28 October 2022
REHANA YASMEEN RICHA SINGHAAL GAURI DEVI BAJJU HAQ NAWAZ SHEIKH
Article ID 0110 Published: 12 October 2022
Transformation of refinery cracked naphtha stream into efficient lubricity improvers for ULSD
SRUTHI H UDAYA KUMAR D PRAMOD HEGDE MANJUNATHA M G KARTHICK R NANDAKUMAR V
The olefin-rich light cracked naphtha obtained from the fluidized catalytic cracker unit of the oil refinery was converted into hydroxy esters through an epoxidation reaction followed by the esterification with different carboxylic acids. The hydroxy esters at low dosage levels (150/300 ppm) enhance the lubricating property of ultra-low sulfur diesel.
Article ID 0109 Published: 11 October 2022
MARIA G BABASHKINA TATYANA M BURKHANOVA DAMIR A SAFIN
We report DFT-based computational studies of 6-phenyl-3-(pyridin-2-yl)-1,2,4-triazine (PhPyTrz). Some biological properties of PhPyTrz were predicted. Corrosion inhibition properties of PhPyTrz both in gas phase and in the aqueous medium for some important metals used in implants were also estimated by DFT calculations.
Article ID 0108 Published: 11 October 2022
Can a chemical bond be exclusively covalent or ionic?
RANITA PAL SHANTI GOPAL PATRA PRATIM KUMAR CHATTARAJ
A perspective towards utilizing the most popular techniques in understanding the nature of bonding to eliminate certain common misconceptions among students including researchers, and a caution against the impetuous usage of the terms ‘ionic’ and ‘covalent’ to describe a bond.
Article ID 0107 Published: 6 October 2022
KALPANA P AKILANDESWARI L VEEJENDRA KUMAR YADAV
SYNOPSIS: A DFT study of [1, 5]-halo shift in heterosubstituted pentadiene derivatives is reported. The result suggests that aza and oxa substitutions favour [1, 5]-halo shift by suprafacial mode. Phosphorus and silicon substitutions significantly reduce the barrier to both suprafacial and antarafacial routes. The distinct reduction in barrier to halo shift in the P- and Si-substituted systems is due to the reactant-like transition state.
Article ID 0106 Published: 6 October 2022
BAHAREH DASHTIPOUR SAEED DEHGHANPOUR MASOOMEH SHARBATDARAN
Glycerol is produced as the key byproduct in the transesterification process. The as-synthesized Mil-118-SnO2 then was used as a heterogeneous catalyst for the glycerol conversion to solketal. The experiments were carried out under mild conditions, which produced a 40% increase in conversion and selectivity.
Article ID 0105 Published: 5 October 2022 SpringChem
Monitoring the effect of SDS on the solvation dynamics and structural conformation of β-casein
KHADEEJA MUBASHIRA USHASI PRAMANIK LAXMIKANTA KHAMARI SAPTARSHI MUKHERJEE
Synopsis: An IDP, beta Casein (BCN), shows conformational transitions in the presence of SDS, which acts as molecular crowder and induces structural compactness in BCN. We observed that the water dynamics/associated solvation property of the protein becomes slower in the presence of SDS by monitoring the tryptophan fluorescence of BCN.
Article ID 0104 Published: 5 October 2022
Effective adsorption of chlorpyrifos pesticides by HKUST-1 metalorganic framework
BHARTI KANGRA ANUSHREE JATRANA SHEETAL MAAN SONU CHAUHAN VINAY KUMAR
Article ID 0103 Published: 30 September 2022
RAHUL NASKAR PARAMITA GHOSH SUBRATA MANDAL SUBRATA JANA NABENDU MURMU TAPAN KUMAR MONDAL
Herein, new palladium(II) complex, [Pd(LSEt)Cl] (C1) with benzothiazole-based ONS donor pincer ligand (HLSEt) was synthesized and characterized by several spectroscopic techniques. Interaction of C1 with CT DNA and BSA protein was investigated by UV-Vis and fluorescence methods. In vitro cytotoxicity of the complex toward human gastric cancer cell lines (AGS) was evaluated by the MTT assay method. The half maximal inhibitory concentration (IC50) of the palladium(II) complex (9.55±1.23 µM) was found to be less compared to cisplatin (23.13±1.03 µM) towards AGS cancer lines.
Article ID 0102 Published: 29 September 2022
Macrobicyclic binuclear zinc(II) complexes synthesized from their macrocyclic ligands by Schiff base condensation were characterized by elemental and spectral analysis. The enhanced DNA binding affinity (CH3 group) and lesser DNA binding affinity (Br group) have been explained. The 3D fluorescence spectrum shows quenching due to the planarity of aromatic system. DNA cleavage and in vitro activities have been discussed.
Article ID 0101 Published: 27 September 2022
SANIYA FATIMA S KSHAMA SHETTY JYOTI ROY CHOUDHURI SWAMYNATHAN K SHWETHA K SANDEEP KUMAR
Potassium ethyl xanthate (KEX) was successfully used as a corrosion inhibitor for mild steel dissolution in 1 M HCl and 1 M H2SO4 media. KEX showed excellent inhibition efficiency between 92% to 98% in acidic media. The mode of adsorption on mild steel surfaces was mainly physisorption.
Article ID 0100 Published: 26 September 2022
Article ID 0099 Published: 26 September 2022
A two-stage one-step mechanism is concluded for double cyclization of a nitrilium ion intermediate. The ELF analysis suggests that while the C-C bond is formed via the coupling of the pseudoradical centers, the C-O bond is formed from the polarization of the oxygen lone pair toward the carbon atom.
Article ID 0098 Published: 20 September 2022
Conformers of Piperazine on air-water interface studied by VSFG spectroscopy
ANKUR SAHA SUMANA SENGUPTA ANMOL VIRMANI AWADHESH KUMAR
The structure and orientation of piperazine conformers at the surface of an aqueous solution are investigated. Piperazine molecules which exist majorly as centrosymmetric conformers in gas-phase and crystalline states are found to have a substantial population of non-centrosymmetric conformers on the air-water interface with net polar orientation. VSFG signal in the C-H stretching region even from completely protonated piperazine cations and its similarity with the peak positions of unprotonated piperazine establishes the presence of non-centrosymmetric conformers on air-water interface, for piperazine and its cations.
Article ID 0097 Published: 19 September 2022
* Structural characterization of series of synthesized anthraquinone derivatives (B141–B148) having amide, benzene/toluene sulfonamide, and hydrophobic features at 1 and 4 positions. * Biological screening of synthesized anthraquinone derivatives (B141–B148) and Mitoxantrone (MTX) using molinspiration and Osiris property explorer along with anticancer screening against MCF-7, PC-3, and Hela cell lines. * Interaction study of synthesized anthraquinone derivatives (B141–B148) and Mitoxantrone with ct-DNA using absorption, emission, and viscometric techniques. * FT-IR spectral study on best-screened compounds B147, B148 and Mitoxantrone with ct-DNA. * Docking of synthesized anthraquinone compounds (B141–B148) and Mitoxantrone with B-DNA. * Computational study to relate the structure and reactivity of synthesized anthraquinone compounds (B141–B148) and Mitoxantrone using DFT/B3LYP/6-31G(d,p) method.
Article ID 0096 Published: 15 September 2022
Synopsis: The Ti0.97Pd0.03O1.97 catalyst is synthesized by solution combustion method crystallizes in anatase phase with average crystallite size of 5 nm. This catalyst is highly active for the selective oxidation of alcohols and reduction of nitroarenes. The catalyst coated over cordierite monolith can be recycled even up to 10 cycles.
Article ID 0095 Published: 15 September 2022
Quantum chemical study of molecular hydration of phenylxylopyranose sugar
Article ID 0094 Published: 3 September 2022
LIKLESHA B MASRAM SIMREN S SALIM ANGAD B BARKULE YATIN U GADKARI VIKAS N TELVEKAR
The current protocol demonstrates the synthesis of 1,2,4-triazolidine-3-thiones from variously substituted aldehydes or ketones with thiosemicarbazide under aqueous conditions. A simple stirring of the reaction at room temperature in the presence of the catalytic amount of meglumine quickly gave the desired product an excellent yield. The method is operationally simple and eco-friendly.
Article ID 0093 Published: 30 October 2022
RAHUL A NAGARKAR SUDHIR E DAPURKAR
Herein, we report room temperature synthesis of new fluorescent 1,4-benzoxazinone and benzophenoxazinones derivatives using disodium anacardate as a bio-based catalyst which was also synthesized at room temperature from Cashew nut shell liquid (CNSL). The fluorescence activity was studied for the synthesized molecules.
Article ID 0092 Published: 25 August 2022
RUI YI HONGJUAN LIU YING XIONG DONGMEI CHEN CHAO HUANG BIXUE ZHU
The host-guest interactions of macrocycles L1 and L2 with 8-aniline-1-naphthalene sulfonic acid were evaluated by fluorescence spectra and H NMR titration. The binding ratios of L1 and L2 with the compound are both 1:1, and the stability constants are 3.06×104 L·mol-1 and 6.58×103 L·mol-1.
Article ID 0091 Published: 25 August 2022
PALIVELA SIVA GANGADHAR ANOOJA JAGADEESH ANDREW SIMON GEORGE SURAJ SOMAN LINGAMALLU GIRIBABU
Mass transport and recombination are two hurdles for metal complex-based redox couples for dye-sensitized solar cells. We have fabricated DSSC devices using triphenylimidazole-based organic dyes with I−/I3− redox electrolyte and measured its device efficiency under full sun and artificial/indoor light conditions and the potential for the Internet of Things (IoT) applications.
Article ID 0090 Published: 25 August 2022
ABO-BAKR KAMAL MOSTFA M A ASHRAF M ASHMAWY EL-GABY M S A GOMAA A M ALI
Pyrazoline-sulfonamide (PS) has been prepared and used as novel corrosion inhibitors of mild steel. Langmuir adsorption isotherm was used to evaluate MS corrosion inhibition by PS. Experimental data are in good agreement with B3LYP DFT calculations. Therefore, PS is recommended as a corrosion inhibitor of mild steel in aqueous media.
Article ID 0089 Published: 24 August 2022
MONTI GOGOI RAJIV GOSWAMI ALIMPIA BORAH CHINMOY BHUYAN HRISHIKESH SARMAH SWAPNALI HAZARIKA
Hybrid nanocomposite membranes were prepared via interfacial polymerization between D- tryptophan with carboxylated multi-walled carbon nanotubes and trimesoyl chloride over polysulfone support. On passing a racemate solution of β-substituted-α-amino acids through the hybrid membranes, the chiral probe selectively adsorbed the D-isomer. The thin-film nanocomposite enacts as the effective layer over the hollow fiber membrane which ensures the apportioned chiral selectors were adequate to attain 99% of enantioselectivity.
Article ID 0088 Published: 22 August 2022
BHASWATI DEVI ANKUR KANTI GUHA CHANDANA MALAKAR ARUNDHUTI DEVI
The research study includes the synthesis of a novel and efficient Schiff base ligand L, which is highly sensitive and a selective fluorescent sensor for Cu2+ ions with a very low detection limit.
Article ID 0087 Published: 22 August 2022
ZHONGZHONG YAN SIYUAN LIU LONGJIAN QIU YAN CHEN AIJUN LI ZIHAN WANG TAOPENG CHANG XINZHE NIU FENG JIN
Sixteen nicotinamide derivatives containing diphenylamine moieties were prepared based on the structure of fungicide boscalid. There into, compound 3a showed high antifungal activity against Rhizoctonia solani. Structure-activity relationship study provided important information for further structural optimization. Molecular docking offered a reasonable explanation to guarantee its fungicidal activity.
Article ID 0086 Published: 22 August 2022
AMMAR KHALED MOHAMED ZAKARIA STITI TAHIR HABILA MOSBAH FERKHI BERNARD PIROTTE JEAN-JACQUES PIREAUX SMAIL KHELILI
Zn and Sr doubly partial substitution in lanthanum manganite perovskite resulted in a high catalytic activity of the Hantzsch reaction. The results showed that the catalytic activity is related to the creation of oxygen vacancies and the defect associations, in addition to surface acidity and Mn4+ content
Article ID 0085 Published: 12 August 2022
Our study presents the fabrication of blue-emitting Graphene Quantum Dots (GQDs) and employs them as an assay to detect free bilirubin (BR). Fluorescence of GQDs was quenched linearly as BR concentrations increased from 40.53 to 237.55 μM and exhibited a low detection limit (9 μM) with high selectivity and rapid response towards free BR. The efficiency of energy transfer between GQD and BR was determined as 43%. Fluorescence spectra show a broad emission spectrum with a maximum fluorescence intensity at around 420 nm (λmax) when excited at a wavelength of 320 nm. This 100 nm wavelength stokes shift is advantaged for employing GQDs for sensing applications.
Article ID 0084 Published: 10 August 2022
DEVARAJAN RAMARAJAN JELENA ÐOROVIC´ JOVANOVIC ZORAN MARKOVIC DUSˇAN DIMIC SHANMUGAM SUDHA
The optimization of 3-aminocyclohexa-2,6-diene-1-sulfonic acid (1), cis-(1S)-3-Fluoro-3,5-cyclohexadiene-1,2-diol (2) and 1,1′-(3,5-Cyclohexadiene-1,3-diyl)dibenzene (3) compounds was performed at the B3LYP/6-311++G(2df,2p) level of theory. Strong hydrogen bonds were formed with amino and sulfonic groups. The dimer structures proved the importance of intermolecular interactions between polar groups. The docking results towards Urokinase Type Plasminogen Activator (uPa) proved the reactivity order determined previously along with the interactions with the amino acids in an active pocket.
Article ID 0083 Published: 8 August 2022
DEEPAK KUMAR MADHU GANESH IRISHI N N NAMBOOTHIRI
Article ID 0082 Published: 2 August 2022
APURBA SAU MONDAL RAHUL NASKAR CHANDAN KUMAR MANNA TAPAN KUMAR MONDAL
A pseudo octahedral Mn(II) complex, [Mn(L)2] with ONS donor azo-thioether pincer ligand (HL) has been synthesized and thoroughly characterized by spectroscopic techniques. Electronic and X-ray structures of the complex have been studied by experimental results abetted with theoretical computation. Cyclic voltammogram of [Mn(L)2-] in acetonitrile exhibits Mn(II)/Mn(III) oxidation and ligand based reduction couples in acetonitrile.
Article ID 0081 Published: 2 August 2022
Zinc ferrite as reusable and green catalyst for synthesis of quinoxaline derivatives
GANESH BABURAO PUND SAMBHAJI TUKARAM DHUMAL MADHAV JANARDAN HEBADE MAZAHAR FAROOQUI BHAGWANSING SHIVSING DOBHAL
In the present protocol, the synthesis of quinoxaline derivatives is described using various substituted phenacyl bromides and o-phenylenediamines as starting materials in ZnFe2O4 as a bimetallic and eco-friendly catalyst at room temperature. Here, Dimethylformamide is used as a solvent with high yields.
Article ID 0080 Published: 30 July 2022
RAVI GUNUPURU DEBDEEP MAITY GAURAV VYAS PARIMAL PAUL
Synopsis Glycylglycine functionalized water dispersible gold nanoaprticles were prepared, characterized and its metal-ion sensing property was evaluated with the aid of spectroscopic, microscopic and energy dispersive X-ray analysis. These nanoparticles detect Hg2+, Pb2+ and Cr3+ with colour change due to inter particle plasmon coupling because of metal-induced aggregation of the nanoparticles.
Article ID 0079 Published: 20 July 2022 Regular Article
SUSMA DAS SHIVANGI BORKOTOKY MAXMILLANDO RYMBAI VEDANT V BORAH JAYANTI D ROY SHUNAN KAPING PHILIPPE HELISSEY JAI N VISHWAKARMA
Synopsis: Novel ferrocene-pyrazolo[1,5-a]pyrimidine hybrids were synthesized and investigated for their anti-oxidant, anti-bacterial and anti-biofilm properties. Almost all of the new compounds mentioned have anti-oxidant capabilities and a few of them also exhibited anti-bacterial and anti-biofilm properties
Article ID 0078 Published: 20 July 2022 Regular Article
Yassine Ghandour Chadlia Mchiri Imen Mestiri Abdullah Y A Alzahrani Habib Nasri
A new organic-inorganic compound based on Keggin anions and Cobalt (II)ions, namely [Co(C2H2OS)6]2[HPMo11O39Co(C2H6OS)].2(C2H6OS)2.5(H2O) (1) was synthesized and characterized by single-crystal X-Ray diffraction, IR, thermal analyses and cyclic voltammetry. The catalytic ability of (1) for decolorization of Crystal violet dye from aqueous solutions has been investigated.
Article ID 0077 Published: 13 July 2022 Regular Article
Mohammad Abdollahi-Alibeik Zahra Ramazani
MCM-41 supported Cu and Fe with magnetic core (Fe3O4@Fe-Cu/MCM-41) was prepared and applied as a nanostructured catalyst in the Buchwald-Hartwig C-N cross-coupling reaction. The catalyst with Si:Cu:Fe molar ratio of 60:1.5:1 has better catalytic performance and can be recovered and reused several times without any significant decrease in activity.
Article ID 0076 Published: 12 July 2022 Regular Article
Enhanced oxygen evolution reaction activity of Ni(OH)2 nanosheets via the modified effect of sulfur
This work reports the formation of Ni9S8/Ni(OH)2/NF heterojunctions by sulfiding Ni(OH)2 on porous nickel foam. Surprisingly, these Ni9S8/Ni(OH)2/NF heterojunctions exhibit excellent oxygen evolution reaction performance and long-term stability. This is superior to most reported electrocatalysts for oxygen evolution reactions.
Article ID 0075 Published: 11 July 2022 Regular Article
Yashwant Pratap Kharwar Tamilselvi Gurusamy Kothandaraman Ramanujam
Copper-based metal-organic framework, Cu-bpy-MOF is synthesized on activated carbon (AC) via ex-situ and in-situ). in-situ) synthesis is found to usher in firm adsorption of Cu-bpy-MOF on carbon surfaces through the surface functional groups of AC. High-temperature pyrolysis gives Cu-bpy-MOF/AC-I/800 catalyst, which is then tested for oxygen reduction reaction (ORR).
Article ID 0074 Published: 11 July 2022 Regular Article
A zwitterion metal-organic framework for the removal of fluoride from an aqueous solution
M ALIAKBARI R M GHOLAMI S M BORGHEI
Positive nitrogens on the surface of MOF1 pores are suitable sites for the adsorption of fluoride ions through electrostatic interactions, leading to the efficient removal of fluoride from the aqueous solution by this zwitterion metal-organic framework.
Article ID 0073 Published: 8 July 2022 Regular Article
Melahat Göktaş Cengiz Aykaç Temel Öztürk
PCL-b-(PECH-g-PMMA)-b-PCL block-graft terpolymer was synthesized and evaluated by ATRP of a vinyl monomer and ROP of a lactone using a bifunctional PECH initiator, which allows both ATRP and ROP in one step. This work is an example of a new type of simultaneous one-step reaction, ATRP, and ROP. This can open the door for diverse block-graft terpolymer synthesis, which could potentially lead to great advances in the area of macromolecular chemistry.
Article ID 0072 Published: 5 July 2022 Regular Article
ELHAM DAVOODI ELHAM TAHANPESAR AHMAD REZA MASSAH
Nanodiatomite@melamine-SO3H as a novel heterogeneous catalyst was successfully developed and defined through several techniques. The catalyst showed excellent catalytic activity in the xanthene synthesis. The good points of this methodology are ease of product isolation, catalyst efficiency and recycling, cleaner reaction profile, and the procedure agreement with the green chemistry.
Article ID 0071 Published: 1 July 2022 Regular Article
Sadananda Kumbhakar Bishnubasu Giri Arabinda Muley Kalai Selvan Karumban Chinmoy Biswas Sai Santosh Kumar Raavi Somnath Maji
Two mononuclear heteroleptic Ru(II) photosensitizers [1](ClO4) and [2](ClO4)2 containing 2-(1H-benzo[d]imidazol-2-yl)quinoline ligand were synthesized and investigated via FT–IR, 1H NMR, ESI mass spectra, UV–vis, time-resolved photoluminescence spectroscopy, X-ray structure, etc. Both [1](ClO4) and [2](ClO4)2 showed great promises for electrochemical reduction of carbon dioxide in dry acetonitrile.
Article ID 0070 Published: 27 June 2022 Regular Article
Charly Tsapi Tedjeuguim Stanley Numbonui Tasheh Caryne Isabelle Lekeufack Alongamo Julius Numbonui Ghogomu
By employing the DFT/TD-DFT methods, the non-linear optical and charge transport properties of N-(4-methoxybenzylidene)isonicotinohydrazone (L1), 2,2’-bipyridine (L2) and their Fe2+, Ni2+, Cu2+, Pd2+ and Pt2+ complexes were evaluated. The results reveal that the Pt2+ complex can be used as an ambipolar material in the advancement of optoelectronic engineering.
Article ID 0069 Published: 27 June 2022 Regular Article
This work describes a very simple, efficacious, and regioselective synthesis of hitherto unreported benzotriazole-triazole conjugates via copper-catalyzed azide-alkyne cycloaddition. The current protocol avoids the use of any reducing agent, which makes this protocol a better route for the synthesis of 1,4-disubstituted product.
Article ID 0068 Published: 23 June 2022 Regular Article
XIAOJUAN LIU MINGMING LI SHUMING YANG YAYA YANG JIANG NIE YUBING XUE YINGGEN OUYANG SONGTAO XIAO
HKUST-1 exhibited high adsorption capacity towards Nd (III) and Sm (III). The reason behind the material displaying a more robust affinity for Sm(III) was caused by that the energy difference between fn and fn+1 states of Sm(III) was larger than that of Nd(III), thus forming stronger covalent bonding.
Article ID 0067 Published: 16 June 2022 Regular Article
Amir Fayaz Tapta Kanchan Roy Subrata Banik
The effect of non-local Hartree-Fock exchange term of DFT functionals on the vibrational description is assessed for PBE0, B3LYP, and B2PLYP. The sensitivity of the accuracy of harmonic and anharmonic vibrational frequencies with the HF exchange differs for different types of vibrations. The wavenumbers decrease systematically with the increasing HF exchange in the functional. The magnitudes of minimum errors with optimum values of the HF exchange terms differ from the default formulation.
Article ID 0066 Published: 3 June 2022 Retraction Note
Rasheeda M Ansari Badekai Ramachandra Bhat
Article ID 0065 Published: 21 May 2022 Regular Article
Synthesis and characterization of Mn-Co co-doped TNU-9 denitration catalyst with high activity
Miao Yu Shuai Ji Zhifang Li Kun Song Yueyu Li Jian Yang Changlong Yang
Mn-Co co-doped TNU-9 catalyst was successfully synthesized by simple ion exchange method and applied in the NH3-SCR. The results show that Mn-Co/TNU-9 catalyst has an excellent wide activity window in a wide temperature range of 150-450°C (NOx conversion over 90%), which is because Mn+Co2+↔Mn+Co improves the redox performance and facilitates the electron transfer, which further accelerates the oxidation of NO into NO2 that could result in the “Fast SCR” reaction. The synergistic effect between Mn and Co bimetallic can also improve activity. Moreover, Mn-Co/TNU-9 has very good catalytic stability.
Article ID 0064 Published: 14 May 2022 Rapid Communication
Devika C Puspanjali Sahu Darbha V Ravi Kumar
In the presence of alkylamine, iodide ions derived from ionic sources (HI and KI) create 2D microplates, whereas molecular iodine produces wafer-like Cu nanostructures. Cu microplates, on the other hand, cannot be made from CuI in the presence of alkylamine, demonstrating the importance of the precursor's binding strength in the production of Cu microplates.
Article ID 0063 Published: 5 May 2022 Regular Article
Article ID 0062 Published: 3 May 2022 Regular Article
ZIF-8 prepared in ionic liquid microemulsions for efficient capture of phosphate from water
Lihua Hu Chen Chen Xiao Wang Kairan Hu Zhihao Xu Wei Xu
A high-efficiency adsorbent ZIF-8 was successfully prepared in a microemulsion system provided by an ionic liquid. The ZIF-8 materials prepared not only had high BET specific surface area and pore volume but also exhibited hierarchical pore structure, which showed excellent potential for removing phosphate from water.
Article ID 0061 Published: 30 April 2022 Rapid Communication
Extraordinary water oxidation capacity to O2 in sunlight was achieved with a thin-film form of Au-CeTiO2-NR by efficient light absorption followed by effective electron trapping in gold. This minimizes charge recombination and hence minority carriers were efficiently utilized. Reduction in overpotential, Fermi level equilibration and PIRET process due to nano-gold significantly improve the water oxidation capacity in a sustainable manner.
Article ID 0060 Published: 27 April 2022 Regular Article
Xiaojun Tan Yingxin Mao Guizhi Shi Huilian Xu Yan He Jinsong Gu
Phosphenium cation acts as an electrophilic reagent and accepts σ electrons of oxygen in oxirane to form a four-membered ring product. The introduction of substituents will decrease the positive charge on phosphorus in phosphenium cation, which reduced the stability of the products.
Article ID 0059 Published: 27 April 2022 Regular Article
M S S Vinod Mouli Ashutosh Kumar Mishra
This manuscript discusses a simple/efficient approach for the synthesis of flavopeptide conjugates as a true model for covalently-liked-flavoenzymes. Coupling reaction between the suitably functionalized flavin moiety and the pre-synthesized peptide entities was envisaged and undertaken to prove the generality of the approach. Further photophysical investigation including quantum yield measurements, concentration-dependent studies and fluorescence quenching experiments reveal the intramolecular nature of the charge transport process in cases where tyrosine is present, similar to that found in the natural counterpart. Such a synthetic flavopeptide model may provide a further investigation to provide an insight into the corresponding biological phenomenon.
Article ID 0058 Published: 22 April 2022 Regular Article
Design and synthesis of amino acid derivatives containing hydantoin and thiazolidine moieties
Herein, we developed a facile synthetic strategy to spiro hydantoin and thiazolidine derivatives bearing unusual amino acid skeleton through the coupling of 1,2,4,5-tetrakis(bromomethyl) benzene with ethyl isocyanoacetate (EICA) as a glycine equivalent.
Article ID 0057 Published: 22 April 2022 Regular Article
Applying polypharmacology approach for drug repurposing for SARS-CoV2
Esther Jamir Himakshi Sarma Lipsa Priyadarsinee Selvaraman Nagamani Kikrusenuo Kiewhuo Anamika Singh Gaur Ravindra K Rawal Natarajan Arul Murugan Venkatesan Subramanian G Narahari Sastry
Drug repurposing strategy against SARS-CoV2 drug targets. Computational analysis was performed to identify repurposable approved drug candidates against SARS-CoV2 using approaches such as virtual screening, molecular dynamics simulation and MM-PBSA calculations. Four drugs namely venetoclax, tirilazad, acetyldigitoxin, and ledipasvir have been selected as potential candidates.
Article ID 0056 Published: 20 April 2022
The synthesis of sutezolid and eperezolid using proline catalyzed α-aminoxylation of an aldehyde
PANKAJ R CHAUDHARI NANDU B BHISE GIRIJ P SINGH VARADARAJ BHAT GAUTHAM G SHENOY
Selective α-aminoxylation was achieved on corresponding aldehyde with great enantiomeric excess to get intermediate (5) using catalytic amount of low cost proline. The oxazolidinone ring was then constructed on common intermediate (5) which was then further converted to Oxazolidinone class compounds like Sutezolid and Eperezolid.
Article ID 0055 Published: 16 April 2022
SHIVANI S VEDULA GANAPATI D YADAV
Article ID 0054 Published: 16 April 2022
DAYA V P RAJAMONY JAGAN DILLIP KUMAR CHAND
Synopsis: Three new Co(II) complexes of 2-(bis(pyridin-2-ylmethyl)amino)acetate (L) are prepared. Reactivity of the complexes with aerial dioxygen, in presence of Et3N, invariably produced Co(III) complexes having the common complexed cation [Co(L)(picolinate)]+. Picolinate is generated due to the oxidative cleavage of bound L.
Article ID 0053 Published: 8 April 2022
NAVEEN KUMAR SANDEEP KAUR-GHUMAAN
The reaction of Fe3(CO)12 with 2-mercaptobenzimidazole led to the formation of an unusual triiron carbene cluster as the major product and a diiron monothiolate complex as the minor product. The di- and triiron clusters displayed electrocatalytic activity in acetonitrile in the presence of either acetic acid or trifluoroacetic acid as proton sources.
Article ID 0052 Published: 1 April 2022
Electrochemically co-deposited PdAu bimetallic materials embedded in N-[3-(trimethoxysilyl) propyl]ethylenediamine silicate (ES) sol-gel modified electrode (I/ES-Pd75Au25) displayed 8.7 and 3.2 times higher methanol oxidation current and mass activity when compared to the pristine I/ES-Pd100 modified electrode due to ES silicate sol-gel supported mass interaction between PdAu alloy nanostructure with the analyte.
Article ID 0051 Published: 1 April 2022
Comparison of the frequency dependent rotational friction among three different solvent systems considered – normal liquid (ethanol), deep eutectic solvent (acetamide/LiBr) and ionic liquid ([BMIM][BF6]). Note the high frequency friction values for these solvents are very similar, although their zero frequency values differ quite considerably because of widely different viscosities.
Article ID 0050 Published: 28 March 2022
W/HAP catalysed N-oxidation of tertiary amines with H2O2 as an oxidant
RAKHI VISHWAKARMA VIRENDRA RATHOD LAKSHMI KANTAM MANNEPALLI
Synopsis. Synthesis of several N-oxides using tungsten exchanged hydroxyapatite (W/HAP) in the presence of 30% hydrogen peroxide (H2O2) as an oxidant is presented. A process with aqueous H2O2, a cheap and clean oxidant with an active catalyst is developed to reduce waste production and meet the requirements of green chemistry.
Article ID 0049 Published: 28 March 2022
YETKIN SENEMOGLU BAKI HAZER HULYA ARSLAN ABDULKADIR ALLI SEMA ALLI SADI SEN
Macro-RAFT agents were successfully synthesized in high yield by reacting S-dodecyl-S′-(α,α′-dimethyl-α″-acetic acid) tritiocarbonate (DDMAT) (R-2) with polyethylene glycols (Mn: 2000 Da and 8000 Da, respectively). Subsequently, the monomers methyl methacrylate (MMA) and N-isopropylacrylamide (NIPAM) were polymerized respectively using synthesized macro-RAFT agents. SEM images of PEG-b-PMMA block copolymers have shown that the copolymers have a microporous structure. The critical temperature values of the PEG-b-PNIPAM block copolymers are closer to that of the PNIPAM homopolymer, 32 °C, indicating their usability in drug delivery systems.
Article ID 0048 Published: 23 March 2022 RAPID COMMUNICATION
OLEG V MIKHAILOV DENIS V CHACHKOV
Article ID 0047 Published: 19 March 2022
DHARMENDRA DHARMENDRA PRIYANKA CHUNDAWAT YOGESHWARI VYAS CHETNA AMETA
A highly efficient and environmentally friendly route for the one-pot multi-component construction of biologically active pyrazolopyranopyramidine derivatives by the reaction of aromatic aldehydes, hydrazine hydrate, ethyl acetoacetate, and barbituric acid under ultrasonication has been evolved. The reaction is promoted by starch@Fe3O4 at room temperature using water as solvent. The key features of the present reaction are the excellent yield of products, mild reaction condition, without column chromatography, reusability, and magnetically separable catalyst.
Article ID 0046 Published: 19 March 2022
In this work, the effects of acid treatment and calcination process on the catalytic performance of SmMnO3/cordierite monolithic catalyst for o-xylene oxidation were based on response surface methodology (RSM) through presenting a mathematical modeling and factorial analysis.
Article ID 0045 Published: 18 March 2022
WENJIE LIU XINRONG LI WEI ZHANG JING SUN SHIXIANG ZUO XIAZHANG LI CHAO YAO
In this paper, we use the organic matter in the waste clay as the carbon source and nitrogen source and use the characteristics of clay in the waste clay to introduce iron ions into the reaction. After high-temperature calcination, we get Fe3C/NC composite. Fe-N co-doping can expose more graphite defects and more active sites, which can also improve the electrocatalytic performance of ORR.
Article ID 0044 Published: 15 March 2022
GOBIND KUMAR GAURAV BHARGAVA YOGESH KUMAR RUPESH KUMAR
An environmentally benign protocol for the synthesis of 3,4-DHPMs has been developed using inexpensive molecular oxygen, visible light as green energy source and eosin Y as photoreceptor-cum-sensitizer. The utilized photoreceptor revealed its unique properties in rapid intersystem crossing, high photo and chemical stability, ease of separation and high catalytic efficiency.
Article ID 0043 Published: 14 March 2022
Selective detection of Cu2+ by benzothiazole-based colorimetric chemosensor: a DFT study
JAE SUNG HEO BOEON SUH CHEAL KIM
An effective colorimetric chemosensor BTV was synthesized for detecting Cu2+. Sensor BTV showed a bathochromic shift (150 nm) with an explicit color change from colorless to pink to Cu2+. In addition, it could detect Cu2+ down to 0.37 μM and distinguish it from various metal ions through the test strip.
Article ID 0042 Published: 12 March 2022
The effect of argon plasma treatment on surface engineering in an inverted perovskite solar cell
ZAHRA SADAT MIRBAGHERI FIROOZABAD MAHMOOD BORHANI ZARANDI ZEINAB SAFARI MEHDI SHARIFIAN
The wettability of the Poly-TPD hole transporting layer has increased with exposure to argon plasma. The treated cells with argon plasma under the power of 220 W and a treatment time of 5 s has the best interface between the perovskite and poly-TPD hole transporting layer leads to higher photovoltaic parameters.
Article ID 0041 Published: 12 March 2022
Homogeneous catalyst containing Pd in the reduction of aryl azides to primary amines
Synopsis Commercially available dichloro[2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]palladium(II) (BINAP.PdCl2) homogeneous catalyst was used for the reduction of aryl azides to primary amines. The reactions were carried out in water and yields above 95% were obtained in a short time. Sodium borohydride was used as the reducing reagent. A number of aryl azide derivatives have been converted into primary amines, thanks to the hydrogen gas released by sodium borohydride with the help of water and catalyst.
Article ID 0040 Published: 9 March 2022
M Z NAIK L RODRIGUES P S TORNEY A V SALKER
Article ID 0039 Published: 8 March 2022
MUHAMMAD SIRAJUDDIN SAQIB ALI HIZBULLAH KHAN MUHAMMAD TARIQ
Article ID 0038 Published: 8 March 2022
WENYU LI YUMEI ZHU WEI GUO HANWEN XU CAIRONG GONG GANG XUE
After the exsolution, the Pt/LaCoO3 is well-developed with smooth surface and some nanoparticles are homogeneously distributed on the surface of the samples. The exsolved Pt nanoparticles can accelerate the electron exchange process between the matrix and its adsorbed intermediates, and ultimately promote the electrochemical reaction kinetics.
Article ID 0037 Published: 7 March 2022
NAEEMAKHTAR MOMIN MANJANNA J ARUNA S T SENTHILKUMAR S DINESH S REDDY AMIT KUMAR
Structural and electrical properties of Ti0.95M0.05O2−δ (M = Ni, Cu, Zn) are reported for their plausible applications as SOFC electrolytes. Lower Ea of 1.08, 1.41, and 1.17 eV are obtained for TiO2, Ni-TiO2 and Zn-TiO2, samples respectively. The Cu-TiO2 showed comparable oxide ion conductivity with other potential electrolyte materials.
Article ID 0036 Published: 4 March 2022
A facile and efficient synthesis of Bis-thiazole from mono-thiazole
A facile method is developed to synthesis bis-amino thiazole from easily synthesised mono thiazole. A series of bis thiazole were obtained with free amino groups which can be used for late-stage synthesis of new bis heterocyclic compounds.
Article ID 0035 Published: 3 March 2022
ZHIPENG HE SIBING YU ZHENYU CAI XINJIE CAO LEI ZHANG KAI HUANG
ZnCoPBAs show a face-centred cubic structure with a high density of Lewis acidic Co (II) /Zn (II) metal sites and basic -CN- groups. We successfully modified ZnCoPBAs with different organic ligands and their application in the cycloaddition of CO2 and epoxides.
Article ID 0034 Published: 3 March 2022
NGUYEN THI KIM CHUNG NGUYEN ANH TIEN CHAU HONG DIEM BUI XUAN VUONG
Sr-doped NdFeO3 nanoparticles were synthesized by the simple co-precipitation method. The obtained Sr-doped NdFeO3 nanoparicles have higher absorption in the visible region than in the UV range and the band gap value (Eg- = 0.87–1.06 eV) is much lower than similar rare-earth perovskites synthesized by different methods.
Article ID 0033 Published: 1 March 2022
Synthesis, structural elucidation and reaction optimization studies of a novel prodrug of Atovaquone
SANJAY S S SHASHIPRABHA SHRIDHARA K NAGARAJAN K
Atovaquone is a well known antimalarial drug that has poor water solubility and low bioavailability. To overcome these challenges, a novel prodrug of Atovaquone has been synthesized. Synthesis, structural elucidation and reaction optimization studies of the novel prodrug has been explained with supportive experimental and spectral results. The collective experimental output enables large-scale manufacturing of the disclosed prodrug 3 with substantial high yields and purity.
Article ID 0032 Published: 22 February 2022
BIRLA SINGH MAIBAM B INFANT GABRIEL MURALI S VENKATRAMAN IVAN S COLE C GANESA MOORTHY EMMANUEL B
Atmospheric corrosion of metal in contact with a thin electrolyte film via diffusion of dissolved oxygen coupled with oxygen reduction reaction and metal dissolution reaction in pseudosteady state.
Article ID 0031 Published: 22 February 2022
MOHAMMED MOUDJAHED LEILA DERMECHE YASMINA IDRISSOU TASSADIT MAZARI CHERIFA RABIA
High catalytic activity was observed with α- and β-K6P2W18O62, α-K6P2Mo6W12O62 and α1-K7P2Mo5VW12O62 Dawson-type for the oxidation of cyclohexanone, cyclohexanol or cyclohexanone/cyclohexanol mixture, in the hydrogen peroxide presence, to several oxygenated products. Adipic, levulinic and 6-hydroxyhexanoic acids are the main products. The peroxo- species formed in situ could be the active sites.
Article ID 0030 Published: 21 February 2022
RAMA DEVI GUTTA ABDUL RAJACK SATYA VENI SUNKARA RAJA KARREDDULA GOPI P KRISHNA SURENDRA BABU MANABOLU SURYA
In this paper, we present two complexes, diaquabis [2-(1H-tetrazol-5-yl) pyrazinato]-Copper (II) (1) and Cobalt (II) (2), synthesized by microwave activation. They are characterized by spectral methods to confirm their structure. The complexes also degrade the dyes in the presence of UV. The complexes bind well to ct-DNA, cleave DNA, and exhibited anti-bacterial activity. Molecular docking is performed to show the effective inhibition of bacterial proteins.
Article ID 0029 Published: 10 February 2022
Redox potentials of puckered 1,4-benzoquinone
PAVITHRA JAYACHANDRAN ABIRAM ANGAMUTHU PRAVEENA GOPALAN
* The present study highlights the conformational dependence of structure and redox potentials of 1,4-benzoquinone molecule using quantum chemical techniques. * It was observed that the planar molecule obtained the highest redox potential followed by skew 2S6,6S2 and boat 3,6B, B3,6, B2,5 conformers that have more negative LUMO energies. * Further, it was noted that the redox potentials of 1,4-BQ conformers are more effectively predicted at the B3LYP/6-31+G* level of theory employing ethylene carbonate solvent.
Article ID 0028 Published: 8 February 2022
Synopsis: Dramatic changes in the stability of carbanion complexes with the replacement of a hydrogen atom by lithium.
Article ID 0027 Published: 5 February 2022
SEDIGHEH SADEGH HASSANI LEILA SAMIEE ALIMORAD RASHIDI MOHAMMAD REZA GANJALI
Synthesis and characterization of heteroatom co-doped graphenes using CVD, Pyrolysis and hydrothermal techniques are reported and their electrochemical behaviors evaluated. The results represent the high dependence of ORR activity of the prepared electrocatalysts to the synthesis method and the electrocatalyst via pyrolysis method shows high selectivity for the 4e- reduction.
Article ID 0026 Published: 5 February 2022
Supramolecular self-assembly based on Cucurbit[8]urils with sulfanilamide and sulfamethoxazole
LIN ZHANG JUN ZHENG ZHISHU ZENG GUANGYAN LUO XIAOYUE LI QIANJUN ZHANG
In this study, we reported that Cucurbit[8]uril (Q[8]) was used as the carrier of P-aminobenzenesulfonamide and sulfamethoxazole. The experimental results show that the main driving forces of the system are hydrogen bond and ion-dipole interaction and two new supramolecular self-assemblers were constructed.
Article ID 0025 Published: 5 February 2022
ABHINANDA CHOWDHURY PRASHANT CHANDRA SINGH
Weak noncovalent interactions stabilise higher order clusters of protonated dopamine leading to red shift in the UV-visible spectra as shown by quantum chemical calculations.
Article ID 0024 Published: 5 February 2022
Hybrid thermochromic hydrogels based on HPC/PVA for smart windows with enhanced solar modulation
YUQIN FENG MING YANG YANBO ZHANG HONGJUN LIU HAIYAN JU GANG ZHANG WENXIA MA YAQI WU YUNZI YU YONGSHENG YANG DEZHENG LIU
Hybrid thermochromic hydrogels HPC-PVA were designed by one-step hydrothermal method categories. The hydrogels could increase the temperature-responsive of smart hydrogels, enhance solar modulation and have high luminous transmission.
Article ID 0023 Published: 5 February 2022
CARLEY GIFFERT L NONGPIUR DEEPAK KUMAR TRIPATHI KRISHNA MOHAN POLURI HEMANT RAWAT MOHAN RAO KOLLIPARA
The reaction of [(arene)MCl2]2 with 4, 5- diazafluorene-9-one (dafo) and derived Schiff-base ligands yielded mononuclear cationic complexes having the general formula [(arene)MLCl]PF6-. Some of the complexes exhibited antibacterial activity against Gram-positive bacteria. Results also show that the compounds possess prominent antioxidant activity against DPPH radicals.
Article ID 0022 Published: 4 February 2022
CHADLIA MCHIRI HAYET EDZIRI HALIMA HAJJI MOHAMMED BOUACHRINE SAMIR ACHERAR CE´LINE FROCHOT HANAN O BADR ELDINE SANA BEN MOUSSA HABIB NASRI
2-aminopyridine Cadmium(II) meso-chlorophenylporphyrin coordination compound abbreviated as [Cd(TClPP)(2-NH2Py)] was synthesized and characterized. This compound shows interesting antibacterial properties. The molecular docking approach suggests that [Cd(TClPP)(2-NH2Py)] has higher binding affinity with hydrogen bonding interactions.
Article ID 0021 Published: 2 February 2022
WEEANUCH KARUEHANON WATCHAREE FUNFUENHA NATTAPORN PHUTTAWONG
Molecularly Imprinted Polymers for triphenylphosphine oxide (MIPs-TPPO) were first synthesized and evaluated. The effects of monomer types, binding time, and reusability were investigated. It was found that MIPs-TPPO showed high efficiency with only one hour of binding time and at least five times reusability.
Article ID 0020 Published: 2 February 2022
Synopsis. 5-(benzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione derivatives could interact with ctDNA. MD simulation indicated that m- and p-chlorophenyl derivatives selectively bind to AT and CG-rich DNA strands respectively. The order in HOMO energies was compatible with absorption titration result that demonstrated the order of Ka as 4-OH > 4-Cl > 3-Cl.
Article ID 0019 Published: 2 February 2022
NAIK M Z RODRIGUES , L TORNEY P S SALKER A V
Article ID 0018 Published: 2 February 2022
Facile NBS/DMSO mediated dibromination of olefins including selected natural products and glycals
HAFIZ UL LAH SHABIR AHMAD MIR GULZAR HUSSAIN RAFIQ AHMAD WANI SYED KHALID YOUSUF
A highly chemo- and diastereoselective vic-dibromination of olefins has been developed. The process employs a readily available N-Bromosuccinimide (NBS)/DMSO reagent system as a bromine source. High substrate scope, simple reaction conditions, application to natural products and glycals makes the process very attractive.
Article ID 0017 Published: 27 January 2022
HOSSEIN FAKHRAIAN YASER NAFARI MOHAMMAD JAVAD TAGHIZADEH ESMAEIL CHAHARDOLI
The synthesis of (5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl) methanone (IV), as the key intermediate in the preparation of zolazepam, via chlorination of (5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl) methanone (III) which was prepared by acylation of 1,3-dimethyl-5-pyrazolone (I) by II is reconsidered. Different aspects of each step (reaction conditions, side products and workup procedure) were considered and the products and side products were characterized via 1H NMR, 13C NMR and GC-MS techniques.
Article ID 0016 Published: 27 January 2022
MANJULLA GUPTA BUSHRA CHOWHAN MONIKA GUPTA SATYA PAUL
The present work deals with the functionalization of copper (0) nanocluster onto mercaptopropyl silica ligated with 2-bromopyridine and its applications for the C–O and C–N bond-forming reactions.
Article ID 0015 Published: 27 January 2022
SANTOSH R DESHMUKH ARCHANA S NALKAR SHANKAR R THOPATE
Synopsis: A mild and efficient route for the one pot synthesis of isoxazole derivatives has been developed using pyruvic acid as a catalyst under aqueous medium. The reaction was carried out under conventional as well as ultrasonic condition to afford the desired product in good yield.
Article ID 0014 Published: 25 January 2022
MANAS GHARA SANTANAB GIRI PRASENJIT DAS PRATIM KUMAR CHATTARAJ
The activation of C-F bond in 1-fluorobutane, 1, 1-difluorobutane and 1, 1, 1-trifluorobutane by B(C6F5)3/lutidine and Al(C6F5)3/lutidine pairs has been assessed computationally. The Al(C6F5)3/lutidine pair is superior to the B(C6F5)3/lutidine pairs for such unusual bond activation as revealed by this study.
Article ID 0013 Published: 25 January 2022
MOHAMMAD EL-KHATEEB ALAA AL-MOMANI PILAR GARCIA-ORDUNA FERNANDO J LAHOZ
In this contribution, we report the preparation of iron thiosulfonato complex CpFe(CO)2SeSO2CH=CHPh (1) and its selenosulfonato analogue CpFe(CO)2SeSO2CH=CHPh (2) featuring styrene moiety. 1 and 2 are obtained by electrophilic attack of (μ-Ex)[CpFe(CO)2]2 (E = S; x = 2–4, E = Se; x = 1) on the sulfur atom of styrene sulfonyl chloride ClSO2CH=CHPh. The new compounds, 1 and 2 have been characterized by elemental analyses, IR, 1H-, 13C{1H}-NMR, UV–Vis spectroscopy and the structure of 2 is determined by X-ray crystallography..
Article ID 0012 Published: 23 January 2022
RENUGA DURAISAMY UMA MAHESWARI PALANISAMY K M MEERA SHERIFFA BEGUM PRABAHARAN DHARMAR
The pure ligand, Cu-trizImEA and Zn-trizImEA compounds were induce and stabilize, selectively antiparallel G-quadruplex conformation on d(TTAGGG)n under no salt conditions. The formed G-quadruplexes were thermodynamically stable and irreversible, thus resulting in proficient antitelomerase and anticancer activity, in-vitro.
Article ID 0011 Published: 23 January 2022
The effects of aluminum and silicon phosphates on thermal stability and flammability of polystyrene
ALLEN CHAPARADZA STEPHEN MAJONI
Article ID 0010 Published: 23 January 2022
IBNUL FARID JOYANTI CHUTIA HEREMBA BAILUNG
The energy conversion of PEM fuel cell occurs through HOR and ORR in presence of suitable catalyst(s). High surface area of the catalyst(s) is desirable for better performance of the cell. The best assembled MEA with low loaded co-sputtered PtTi binary catalyst exhibits maximum power density of 0.604 W cm-2.
Article ID 0009 Published: 12 January 2022
ANKIT SAMANTA SUBRATA GHOSH SABYASACHI SARKAR
Carbon nano onion (CNO) under aerial oxygen on exposure with visible light generates ROS which is capable to rupture the lipid envelope of SARS-CoV-2 followed by disintegrating its RNA.
Article ID 0008 Published: 10 January 2022
AISHWARYA NADGIR MALATESH S PUJAR SHIVAPRASADAGOUDA PATIL ASHOK H SIDARAI
The dual-sensing nature [Fe(III) and Pb(II)] of ML is described through Intensity Vs Wavelength graphs. TiO2 sensing nature of ML is also described by KSV graph. The logic gate application of ML is pictorially represented with a truth table and bar graph.
Article ID 0007 Published: 7 January 2022
RABAIL UJAN HAFIZ MOHAMMAD KASHIF MAHMOOD PERVAIZ ALI CHANNAR SYEDA ABIDA EJAZ SHOMAILA SAEED AAMER SAEED AMNA SAEED MAMOONA RAFIQ KASHIF ALI CHANNAR HAFIZ ABDUL BARI INDHER HAMMAD ISMAIL
Synopsis This article reports the synthesis of a total of eight derivatives of N-(5-acetyl-4-methylthiazol-2-yl) Arylamide derivatives. The products obtained in good to excellent yield represents drug-like molecules with a well-developed structure-activity relationship.
Article ID 0006 Published: 6 January 2022
Iron-mediated desulphurization approach: synthesis of cyanamides and their conversions
VENKATA BHAVANARUSHI PENDEM RAMANA TAMMINANA MADHAVI NANNAPANENI
Iron-mediated efficient multi-component method has been demonstrated for the synthesis of substituted cyanamides from isothiocyanates under mild reaction conditions. Subsequent nucleophilic addition and desulfurization are involved in this proposed synthetic methodology.
Article ID 0005 Published: 5 January 2022
SUMAN SWAMI ARUNAVA AGARWALA VIBHA SHRIVASTAVA RAHUL SHRIVASTAVA
* Polyethylene glycol crowned silver nanoparticles have designed and synthesized for selective fluoride sensing in aqueous medium. * Sensing occurrences explained with FSEM and UV-Visible spectroscopic techniques *NPs exhibits good limit of detection 0.0016 mg/L that is less than desirable limit 0.05 mg/L
Article ID 0004 Published: 31 December 2021
PRADEEP KATE VIKRAM PANDIT VIVEKANAND JAWALE MADHUSUDAN BACHUTE
A series of tetrahydrobenzo[b]pyrans derivatives were synthesized with substituted pyrazole carbaldehydes, malononitrile and dimedone using eco-friendly L-proline as a catalyst in aqueous ethanol. We also report the examination of the synthetic protocol by green chemistry metrics suggests that synthetic protocol has green relevance. Anti-inflammatory activity and antioxidant activity for tetrahydrobenzo[b]pyran derivatives are performed. Some of the synthesized compounds showed excellent anti-inflammatory as well as antioxidant activity.
Article ID 0003 Published: 22 December 2021
HAN WANG YAN ZHAO DONG ZHANG YUCAI LI YINGNAN DONG SHUAIJIE WANG SHIWEI SONG JIAN WANG GANG WANG
The synthesized novel compound based on catalytic functional metal rhenium, pyridinium perrhenate(PyHReO4) exhibit excellent catalytic activity. The system with PyHReO4 as a catalyst provided an effective, easy separation, mild and convenient method in two different types of reactions(One is the epoxidation of cyclooctene, the other is the Baeyer-Villiger oxidation of 2-adamantanone).
Article ID 0002 Published: 21 December 2021
Artificial intelligence: machine learning for chemical sciences
AKSHAYA KARTHIKEYAN U DEVA PRIYAKUMAR
Synopsis Recent surge in the application of machine learning (ML) methods in fundamental sciences has led to a perspective that these methods may become important tools in chemical science. This perspective provides an overview of the modern ML methods and their successful applications in chemistry during the last few years.
Article ID 0001 Published: 10 December 2021
MUZAMMIL Y KHAN SUNIL S JOSHI VIVEK V RANADE
Solubility of the hydrogen was determined experimentally in pure toluene, cinnamaldehyde, water, aqueous KOH and in mixtures of cinnamaldehyde+ toluene, biphasic reaction mixture for cinnamaldehyde hydrogenation (containing cinnamaldehyde + toluene + aq. KOH) in the temperature range of 298-353 K. The same was predicted using a thermodynamic model.
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