1,305 results
Search Results
2. Phenotypically distinguishing ESBL-producing pathogens using paper-based surface enhanced Raman sensors.
- Author
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Hilton, Shannon H., Hall, Connor, Nguyen, Hieu T., Everitt, Micaela L., DeShong, Philip, and White, Ian M.
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SERS spectroscopy , *LACTAMS , *BETA lactam antibiotics , *MEDICAL microbiology , *MULTIDRUG resistance , *DETECTORS , *CHEMICAL synthesis - Abstract
Antimicrobial stewardship practices are critical in preventing the further erosion of treatment options for bacterial infections. Yet, at the same time, determination of an infection's antimicrobial susceptibility requires multiple rounds of culture and expensive lab automation systems. In this work, we report the use of paper-based surface enhanced Raman spectroscopy (SERS) sensors and portable instrumentation to phenotypically discriminate multi-drug resistance with fewer culture steps than conventional clinical microbiology. Specifically, we demonstrate the identification of resistance to varying generations of β -lactam antibiotics by detecting the activity of particular β -lactamase enzymes in a multiplexed assay. The method utilizes molecular reporters that consist of β -lactams with SERS barcodes. Hydrolysis of the β -lactam by β -lactamase enzymes in the sample expels the barcode; the released sulfur-containing barcode is then detected via SERS. Using this approach, we demonstrate the differentiation of E. coli strains with (1) extended spectrum β -lactamase (ESBL), (2) narrow-spectrum β -lactamase, and (3) no resistance, using only a single measurement on a single sample. In addition, we experimentally validate an approach to expand the library of reporters through the simple chemical synthesis of new barcoded β -lactams. Importantly, the reported method determines the susceptibility based on phenotypic β -lactamase activity, which is aligned with current microbiology lab standards. This new method will enable the precise selection of effective β -lactam antibiotics (as opposed to defaulting to drugs of last resort) faster than current methods while using simple steps and low-cost portable instrumentation. Image 1 • We demonstrate phenotypic detection of β-lactamase activity using paper SERS sensors and portable instrumentation. • We show discrimination of β -lactamases with different degrees of resistance in a single sample on a single sensor. • We demonstrate a simple synthesis method to expand the library of SERS-based β -lactamase reporters. • We accomplish β-lactamase discrimination in significantly less time than conventional microbiology. [ABSTRACT FROM AUTHOR]
- Published
- 2020
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3. Dual-channel foldable microfluidic paper-based parallel enzymatic reaction systems for simultaneous visual colorimetric detecting acetylcholinesterase and α-glucosidase together with screening inhibitors.
- Author
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Xu, Jinju, Tong, Chaoying, Cao, Yuanxin, Qin, Ziyi, Liao, Chunhui, Chen, Yuxia, Shi, Shuyun, and Guo, Ying
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ENZYME inhibitors , *GLYCOSIDASE inhibitors , *ACETYLCHOLINESTERASE , *ALPHA-glucosidases , *VITAMIN C , *CHEMICAL synthesis , *DRUG development , *STANDARD deviations , *NATURAL products - Abstract
On-site multi-enzymes detection and inhibitors screening are still challenging and particularly urgent. Here, dual-channel foldable microfluidic paper (μPAD)-based parallel enzymatic reaction systems were fabricated for simultaneous visual colorimetric detecting acetylcholinesterase (AChE) and α-glucosidase (α-Glu) together with screening inhibitors. μPAD composing of two layers with dual channels was designed and prepared facilely by a permanent marker. AChE and α-Glu catalyze pre-loaded substrates into products (thiocholine (TCh), ascorbic acid (AA)) on the 1st layer. Parallelly, oxidase-like MnO 2 nanosheets oxidize pre-dropped colorless 3,3′,5,5′-tetramethylbenzidine (TMB) to blue oxidized TMB (oxTMB) on the 2nd layer. After simple folding μPAD, TCh and AA can reduce oxTMB to TMB, resulting in color fading. Obviously, bioenzyme and nanozyme reactions under different pH can simultaneously occur on the μPAD. Furthermore, colorimetric results can be easily captured and on-site quantitatively analyzed by smartphone. As a result, a convenient, efficient, sensitive, and specific platform has been constructed for simultaneous detecting AChE and α-Glu in human serum samples (recoveries, 92.1–105.0%; relative standard deviations, < 3.6%), and screening inhibitors from synthesized compounds and natural products. The developed platform provides constructive insights for exploitation of visual detecting strategies for simultaneous sensing muti-targets for point-of-care testing of disease and development of drugs. [Display omitted] • Visual colorimetric detection of AChE and α-Glu and screening of inhibitors. • Dual-channel foldable μ PAD for on-site simultaneous visual detection. • Parallel enzymatic reaction strategy matches different working pH. • The proposed platform had facile, portable, and visual advantages in POCT. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
4. Synthesis and application of calcium sulphate pigment for paper coating: Potential and prospects
- Author
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Kumar, Nitin, Bhardwaj, Nishi Kant, Chakrabarti, Swapan Kumar, and Kumar, Sunil
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CALCIUM sulfate , *PAPER coatings , *CALCIUM chloride , *PARTICLES , *PIGMENTS , *CHEMICAL synthesis - Abstract
Abstract: In the present study, calcium sulphate pigment has been synthesized experimentally from commercial grade calcium chloride. The effect of various factors on the particle size of calcium sulphate formed in a wet process and its potential application as pigment in coating recipe has been investigated. The operating factors investigated include concentration of calcium chloride solution, temperature, addition of different rheology modifiers and their optimization. The particle shape and size distribution of synthesized calcium sulphate pigment have been studied through image analyzer, scanning electron microscope (SEM) and particle size analyzer. Significant improvement was observed in various coated paper properties like brightness, whiteness, gloss, stiffness, surface strength and water retention properties of coating color with respect to conventional ground calcium carbonate (GCC) coating pigment. [Copyright &y& Elsevier]
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- 2012
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5. Novel luminescent paper based calix[4]arene chelation enhanced fluorescence- photoinduced electron transfer probe for Mn2+, Cr3+ and F-.
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Sutariya, Pinkesh G., Soni, Heni, Gandhi, Sahaj A., and Pandya, Alok
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ANTHRAQUINONES , *AROMATIC compounds , *CHEMICAL synthesis , *CHELATION , *MANGANESE , *CHROMIUM - Abstract
Abstract A novel structurally simple calix[4]arene attached 1-aminoanthraquinone associated lower rim calix[4]arene conjugate was synthesized and has been used as turn on/off/on fluorescence probe for Mn2+, Cr3+ and F-. This chelation enhanced fluorescence - photoinduced electron transfer (CHEF-PET) based TAAC probe has been applied for its analytical application in real samples such as Mn2+ from blood serum, Cr3+ and F- from industrial effluent with 94–99% recovery. The limit of detection of this sensor is found to be 11 nM for Mn2+, 4 nM for Cr3+ and 19 nM for F- with the concentration range of 0–120 nM. Further, we report an easy-to-use, low cost and disposable paper-based sensing device for rapid chemical screening of Mn2+, Cr3+ and F-. The device comprises fluorescent sensing probes embedded into a nitrocellulose matrix where the resonance energy transfer phenomenon seems to be the sensing mechanism. It opens up new opportunities for simple and fast screening in remote settings where sophisticated instrumentation is not always available. The MOPAC-2016 software package has been used to optimize the TAAC using PM7 well established method and calculates the HOMO-LUMO energy band gap for structure TAAC and TAAC with Mn2+, Cr3+ and F- ion based structures. Graphical abstract fx1 [ABSTRACT FROM AUTHOR]
- Published
- 2019
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6. Ni-loaded (Ce,Zr)O2–δ-dispersed paper-structured catalyst for dry reforming of methane.
- Author
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Nguyen, T.G.H., Tran, D.L., Sakamoto, M., Uchida, T., Sasaki, K., To, T.D., Doan, D.C.T., Dang, M.C., and Shiratori, Y.
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METHANE , *CATALYSTS , *OXIDATION , *CATALYTIC activity , *CHEMICAL reactions , *CHEMICAL synthesis - Abstract
A paper-structured catalyst (PSC) for biogas reforming was prepared with the aim of improving coking tolerance. During the paper-making process using inorganic fibers, Ni-loaded (Ce,Zr)O 2–δ particles were synthesized via co-precipitation and subsequent chemical reduction (on-paper synthesis). The effects of the CeO 2 /ZrO 2 weight ratio during preparation and the Ni loading amount on the catalytic activity for dry reforming of CH 4 were investigated at 750 °C. A Ni loading of 6 wt% with CeO 2 /ZrO 2 ≥ 1 led to stable CH 4 conversion of 85% without coking under a gas hourly space velocity of 3800 h −1 . The oxygen storage capacity of the (Ce,Zr)O 2–δ particles dispersed in the inorganic fiber network may contribute to the oxidation of carbonaceous species deposited on the catalyst surface. [ABSTRACT FROM AUTHOR]
- Published
- 2018
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7. TiO2–B nanofibrils reinforced graphene paper for multifunctional flexible electrode.
- Author
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Li, Meng, Yang, Yong, Guang Choo, Eugene Shi, Tang, Xiaosheng, Sun, Kuan, Chen, Yu, and Xue, Junmin
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TITANIUM dioxide , *GRAPHENE , *CHEMICAL synthesis , *THERMOELECTRICITY , *ELECTROCHEMICAL analysis - Abstract
Utilizing graphene-based hybrid papers or films as multifunctional electrodes has become the focus of clean energy devices due to the beneficial combination of their excellent electrical properties and multiple functions. However, limited attention has been paid to such hybrid papers with both outstanding mechanical and electrochemical properties. Recently, we fabricate rationally designed TiO 2 -B nanofibrils reinforced graphene paper, which can achieve high mechanical strength (88.5 MPa) without sacrificing their electrochemical properties. They further deliver capacities of 231 mAh g −1 (408.9 mAh cm −3 ) for Li-ion electrode and 201 mAh g −1 (355.8 mAh cm −3 ) for Na-ion electrode respectively at the same current density of 33.5 mA g −1 . The outstanding mechanical stability of as-prepared hybrid electrode is demonstrated with a prototype of a bendable Li-ion capacitor. Besides, the as-prepared electrodes also reveal great potential to serve as light weight and ultrathin electromagnetic interference shielding materials. Single layer of hybrid paper exhibits a shielding effectiveness of over 10 dB (corresponding ∼90% shielding). These results prove that TiO 2 -B nanofibrils reinforced graphene paper can serve as a multifunctional flexible electrode for diverse applications. Moreover, this work also demonstrates a novel strategy on how to enhance mechanical properties for those flexible electrodes. [ABSTRACT FROM AUTHOR]
- Published
- 2018
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8. Fenton-like degradation of Methylene Blue using paper mill sludge-derived magnetically separable heterogeneous catalyst: Characterization and mechanism.
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Zhou, Guoqiang, Chen, Ziwen, Fang, Fei, He, Yuefeng, Sun, Haili, and Shi, Huixiang
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METHYLENE blue , *MAGNETIC separation , *HETEROGENEOUS catalysts , *PAPER mill waste , *CHEMICAL decomposition , *CHEMICAL synthesis - Abstract
For the paper industry, the disposal and management of the yielded sludge are a considerable challenge. In our work, the paper mill sludge-derived magnetically separable heterogeneous catalyst (PMS-Fe-380) was prepared easily through a facile synthesis method. The morphology and structure of PMS-Fe-380 were fully characterized by means of X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and Brunauer–Emmet–Teller analysis. The catalytic activity of PMS-Fe-380 was evaluated by degradation of Methylene Blue (MB). The reusability and stability of PMS-Fe-380 were evaluated in five repeated runs, which suggested that PMS-Fe-380 manifested excellent stability of catalytic activity. Moreover, leaching tests indicated that the leached iron is negligible (< 0.5 mg/L). This study provides an alternative environmentally friendly reuse method for paper mill sludge and a novel catalyst PMS-Fe-380 that can be considered as a promising heterogeneous Fenton-like catalyst. [ABSTRACT FROM AUTHOR]
- Published
- 2015
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9. Synthesis of 3,6-di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) capped silver nanoparticles using 3,6-di(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine as reducing agent: Application in naked eye sensing of Cu2+, Ni2+ and Ag+ ions in aqueous solution and paper platform.
- Author
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Samanta, Suvendu, Das, Sudipto, and Biswas, Papu
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SILVER nanoparticles , *TETRAZINE , *CHEMICAL synthesis , *REDUCING agents , *COPPER analysis , *AQUEOUS solutions - Abstract
The synthesis of 3,6-di(pyridin-2-yl)-1,2,4,5-s-tetrazine(pytz) capped silver nanoparticles (AgNPs) is achieved by reacting an aqueous AgNO3 solution with 3,6-di(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine in ethanol without using of any external reducing agent. Morphology and crystalline structure of the prepared silver nanoparticles were characterized by HRTEM and XRD techniques. The pytz capped AgNPs could be used to selective and sensitive detection of Cu2+, Ni2+ and Ag+ in aqueous solution. The sensor was rapid as the measurements were carried out within 3 min of addition of the test solution to the AgNPs-pytz hybrid (TzAgNPs). The present method has a detection limit of 17.5, 9.4 and 13.2 µM (for a signal/noise (S/N) ratio > 3) for Cu2+, Ni2+ and Ag+, respectively. Moreover, this AgNPs-pytz hybrid sensor is applied to test paper for the detection of Cu2+, Ni2+ and Ag+ with the naked eye. The test paper could be potentially used in the rapid detection of Cu2+, Ni2+ and Ag+ in real samples. [ABSTRACT FROM AUTHOR]
- Published
- 2014
- Full Text
- View/download PDF
10. Effect of alkali species on synthesis of K-F zeolitic materials from paper sludge ash for soil amendment
- Author
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Wajima, Takaaki and Munakata, Kenzo
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ALKALI metals , *CHEMICAL speciation , *CHEMICAL synthesis , *ZEOLITES , *WASTE paper , *ASH (Combustion product) , *SOIL amendments , *MIXTURES - Abstract
Abstract: Zeolitic material including zeolite K-F (KAlSiO4·1.5H2O) with soil amendment properties was synthesized at 90°C from paper sludge ash in KOH–NaOH and KOH–LiOH mixtures. The total alkali concentration in each solution was maintained at 4mol/L and the relative amounts of the cationic species (K+/Na+ and K+/Li+) were varied. Zeolite K-F crystal could be obtained in KOH–NaOH solutions with Na/(Na+K) ratios lower than 0.5 or KOH–LiOH solutions with Li/(Li+K) molar ratios lower than 0.25, while hydroxysodalite (Na6Al6Si6O24·8H2O) and katoite (Ca3Al2(SiO4)(OH)8) were formed at other cation molar ratios in each mixture. The observed concentrations of Si and Al in the solution during the reaction explain the synthesis of reaction products with soil amendment properties. The properties of a product intended for K+ release depend on formation of an amorphous gel and zeolite K-F, while that for Ca2+ release depends on formation of an amorphous gel and calcium hydrate minerals, such as katoite. The formation of zeolite K-F in a KOH–LiOH solution with Li/(Li+K) ratio=0.25 is faster than that in KOH alone and the product with good properties, high cation exchange capacity and high released amount of Ca2+, for soil amendment could be obtained. [Copyright &y& Elsevier]
- Published
- 2012
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11. Synthesis of fiber crosslinking cationic latex and its effect on surface properties of paper
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Yan, Xiuhua, Ji, Yongxin, and He, Ting
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LATEX , *SURFACE chemistry , *EPOXY resins , *QUATERNARY ammonium compounds , *CHEMICAL synthesis , *CROSSLINKED polymers , *CHEMICAL structure , *EPICHLOROHYDRIN - Abstract
Abstract: Series of fiber cross-linking cationic latexes containing both epoxy and quaternary ammonium groups were synthesized in the presence of styrene/butyl acrylate/steary methacrylate/dimethyl amino ethyl methacrylate/epichlorohydrin (SBSDE). The chemical structure and composition of SBSDE were confirmed by 1H nuclear magnetic resonance spectrum (1H NMR), Fourier transforms infrared (FTIR), gel permeation chromatography (GPC) analyses. Latexes were subsequently used as sizing agents and surface properties (water resistance, surface strength, burst strength, whiteness, and tensile strength) of paper were examined and compared. Results revealed that SBSDE was a potential candidate for emulsion polymerization. Monomer ratio, initiator type, and SBSDE content determined the properties of latexes and strongly affected the sizing performance. The superior surface sizing agent was obtained by using 2,2-azobisisobutyronitrile as the initiator, when the concentration of SBSDE was 8.5wt%, the butyl acrylate (BA)/styrene (St) ratio was 0.85. [Copyright &y& Elsevier]
- Published
- 2013
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12. Synthesis and characteristic of Li0.35Zn0.3Fe2.35O4 ferrite fiber using filter paper template.
- Author
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Yang, Ruigang and Zhang, Cunrui
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CHEMICAL synthesis , *LITHIUM compounds , *FERRITES , *METAL fibers , *FILTER paper , *IRON oxides , *CRYSTAL whiskers - Abstract
Li 0.35 Zn 0.3 Fe 2.35 O 4 crystals fibers were synthesized via sol–gel method using filter paper template. The phase structures and morphologies for the samples were measured. The electromagnetic and microwave absorbing properties of the obtained samples were measured in the frequency ranges of 0.6–18 GHz. The formation mechanism of the Li 0.35 Zn 0.3 Fe 2.35 O 4 fibers was studied. Experimental results showed the absorbing bandwidth below −10 dB for Li 0.35 Zn 0.3 Fe 2.35 O 4 fibers microwave is superior to that of Li 0.35 Zn 0.3 Fe 2.35 O 4 obtained by no template, especially in S and C bands. The detailed microwave absorbing mechanism of the Li 0.35 Zn 0.3 Fe 2.35 O 4 fibers was investigated. [ABSTRACT FROM AUTHOR]
- Published
- 2014
- Full Text
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13. In situ synthesis of Ni/MgO catalysts on inorganic paper-like matrix for methane steam reforming.
- Author
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Miura, Shin, Umemura, Yuuka, Shiratori, Yusuke, and Kitaoka, Takuya
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CHEMICAL synthesis , *MAGNESIUM oxide , *NICKEL catalysts , *INORGANIC compounds , *STEAM reforming , *POROUS materials , *MICROFABRICATION - Abstract
Highlights: [•] Flexible and porous paper-like Ni/MgO catalysts were successfully fabricated. [•] Ni/MgO catalysts were dispersed on the inorganic fiber networks of paper composites. [•] Catalytic steam reforming of methane proceeded efficiently to produce hydrogen. [•] Paper catalysts exhibited much higher performance than conventional solid catalysts. [ABSTRACT FROM AUTHOR]
- Published
- 2013
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14. Synergies from combined pulp&paper and fuel production
- Author
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Tunå, Per, Hulteberg, Christian, Hansson, Jens, Åsblad, Anders, and Andersson, Eva
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BIOMASS gasification , *WOOD-pulp , *PULP mills , *FUEL , *COMPUTER simulation , *FISCHER-Tropsch process , *CHEMICAL synthesis , *METHANOL , *CARBON dioxide - Abstract
Abstract: In this paper, the prospect of integrating a combined paper&pulp mill with fuel production via biomass gasification was investigated. In the study, three different types of gasifiers (circulating fluidised bed, entrained flow and indirect gasification) and three fuel processes (dimethyl ether, methanol and Fischer-Tropsch wax synthesis) were investigated using computer simulations. The paper reports differences from the stand-alone cases and the integrated cases, using the electricity equivalence efficiency as a measure. Only 6 out of the 18 integrated cases studied displayed a positive result from integration and no obvious fuel selection that stand out as the most beneficial one, however the synthesis of dimethyl ether is, in combination with all gasifiers assessed a rather good choice, with an change in efficiency from integration ranging from −1% to 4%. Dimethyl ether is not the best choice if the electrical equivalence is to be maximised however. In this case the combination of circulating fluidised bed gasification and methanol synthesis should be pursued. The production of Fischer-Tropsch wax should according to the chosen measure not be produced; however there is an added value in the production of a non-oxygenated fuel which has not been taken into account in this particular study. All cases leads to a reduction of 0.4–0.9 kg CO2 per kg of dry biomass used in the process for fuel synthesis and the possibility to export bark is a more significant factor in this respect than which type of fuel is synthesised. [Copyright &y& Elsevier]
- Published
- 2012
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15. Advanced lignin-acrylamide water treatment agent by pulp and paper industrial sludge: Synthesis, properties and application.
- Author
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Rong, Hongyan, Gao, Baoyu, Zhao, Yanxia, Sun, Shenglei, Yang, Zhonglian, Wang, Yan, Yue, Qinyan, and Li, Qian
- Subjects
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LIGNINS , *ACRYLAMIDE , *WATER purification , *PULPING , *PAPER industry , *INDUSTRIAL wastes , *CHEMICAL synthesis - Abstract
A novel flocculant LA (lignin-acrylamide polymer), which was used as aid for aluminum sulfate and polyaluminum chloride in this study, was prepared by grafting acrylamide onto lignin that deriving from pulp and papermaking sludge. Physicochemical properties of LA were measured by X-ray photoelectron spectroscopy and scanning electron microscopy. The experimental outcome indicated acrylamide was grafted onto the lignin backbone successfully. The effects of LA addition were evaluated on coagulation performance and floc characteristics as a function of aluminum (Al) dosage, such as floc size, growth rate, strength and recoverability. Effects of different dosing sequences, Al dosed first and LA dosed first, were also investigated. LA used as coagulant aid markedly enhanced the removal efficiency of turbidity and dissolved organic carbon, especially at low Al dosages. The dissolved organic carbon removal efficiencies of aluminum sulfate and polyaluminum chloride at the Al dosage range selected in this study were improved more than 30% and 5% by LA, respectively. LA dramatically enlarged floc size and it was in the order: Al dosed first > LA dosed first > Al. Floc strength and recoverability were also improved by LA. LA played a significant role in charge neutralization, adsorption and bridging in floc formation. [ABSTRACT FROM AUTHOR]
- Published
- 2013
- Full Text
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16. Polymer-induced generation and characterization of electrophoretic properties of hollow TiO X nanospheres for electronic paper
- Author
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Tan, Tingfeng, Wang, Shirong, Bian, Shuguang, and Li, Xianggao
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POLYMERS , *ELECTROPHORESIS , *TITANIUM dioxide , *ELECTRONIC paper , *PARTICLES , *METHACRYLIC acid , *INORGANIC compounds , *COATING processes - Abstract
Abstract: Hollow TiO X nanospheres have been successfully prepared using hollow core–double shell latex particles (poly(styrene-co-methyl methacrylate-co-butyl acrylate-co-methacrylic acid) (abbreviated in poly(St-co-MMA-co-BA-co-MAA)) as template, which involves the deposition of inorganic coating on the surface of hollow core–shell latex particles and subsequent removal of the latex by calcinations in air or ammonia gas. Ti(OBu)4 was used as precursor for the preparation of hollow TiO X nanospheres. TEM of white hollow core–double shell polymers particles with an aperture of approximately 225nm displays the perfect characteristic hollow nanospheres structure of primary core–double shell particles. The formation of TiO X was confirmed by XRD analysis and hollow structure of the particles was revealed by transmission electron microscopy (TEM). When the calcined temperature was at 800°C, hollow TiO2 nanospheres were arranged regularly with the diameter range of 130–170nm. The electrophoretic properties were characterized by JS94J micro-electrophoresis apparatus. The electrophoretic mobility of white TiO2 and black TiO hollow spheres in tetrachloroethylene were 1.09×10−5 and 3.12×10−5 cm2/Vs, and the zeta potentials were 7.10 and 20.24mV, respectively. The results show that white TiO2 particles and black TiO hollow nanoparticles are suitable as electrophoretic particles and possess the application potential in the future electrophoretic display. [Copyright &y& Elsevier]
- Published
- 2009
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17. Synthesis and growth of SiC/SiO2 nanocables decorated with laminated porous ceramics from filter paper and polymericprecursor.
- Author
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Pan, Jianmei, Cheng, Xiaonong, Yan, Xuehua, Pan, Jianfeng, Zhang, Chenghua, and Lu, Qingbo
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CHEMICAL synthesis , *SILICON carbide , *SILICON oxide , *POROUS materials , *CHEMICAL precursors , *PYROLYSIS , *LAMINATED materials , *X-ray diffraction , *METAL microstructure - Abstract
Abstract: A simple and efficient way to synthesize the SiC/SiO2 nanocables decorated with the laminated porous ceramics by pyrolysis of filter papers impregnated with silicone resins in flowing argon atmosphere has been successfully developed. The phase composition of the laminated porous ceramics was measured by X-ray diffraction. The morphology and microstructure of the samples were analyzed by scanning electron microscopy and transmission electron microscopy. The experimental results show that the nanocables composed of crystalline SiC core coated with a shell of amorphous SiO2 were observed in the interfacial channels and pores of the laminated ceramics. The diameters of SiC cores were 40–80nm and the thicknesses of SiO2 shells were 4–10nm. The increase of the pyrolysis temperature caused an increase in the amount of SiC/SiO2 nanocables. Finally, a vapor–liquid–solid (VLS) process was discussed as the growth mechanism of the nanocables. [Copyright &y& Elsevier]
- Published
- 2013
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18. Characterization of carbon nanomaterials synthesized from thermal decomposition of paper phenolic board
- Author
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Huang, Yu-Ting, Lin, Yi-Wei, and Chen, Chih-Ming
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CARBON , *NANOSTRUCTURED materials , *CHEMICAL decomposition , *ORGANIC synthesis , *MICROSTRUCTURE , *PRINTED circuits , *VAPOR-plating - Abstract
Abstract: The carbon nanomaterials are synthesized at 800–1000°C using paper phenolic (PP) board and NiCl2 aqueous solution as the carbon source and catalyst precursor, respectively. The products include hollow-cored, multi-walled carbon nanofibers (CNFs), platelet-stacked-type CNFs, nanocapsules, and cup-stacked-type CNFs. It is suggested that the catalyst shape plays an important role in the microstructure of the carbon nanomaterials. Since the PP board is used as the insulating substrate of printed circuit board (PCB), the results of this study show that recycling the waste PCBs and using their PP boards to synthesize valuable carbon nanomaterials are of high feasibility. [Copyright &y& Elsevier]
- Published
- 2011
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19. Biogenic design of ZnS quantum dots - Insights into their in-vitro cytotoxicity, photocatalysis and biosensing properties.
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Jacob, Jaya Mary, Rajan, Reju, Tom, Tisha Catherine, Kumar, Vishnu S., Kurup, Gayathri G., Shanmuganathan, Rajasree, and Pugazhendhi, Arivalagan
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QUANTUM dots , *BACTERIAL cell membranes , *SEMICONDUCTOR nanoparticles , *FILTER paper , *ZINC sulfide , *CHEMICAL synthesis - Abstract
Zinc sulphide Quantum Dots (QDs) are semiconductor nanoparticles that have profound applications in medical imaging, photocatalysis and biosensing. Of late, green synthesis of ZnS QDs has emerged as an useful substitute for the routine chemical synthesis. The present study reports the biosynthesis of ZnS QDs using the fungus Aspergillus sp. under ambient conditions. In the present study, the mechanism behind the antibacterial action of the biosynthesized ZnS Quantum Dots has been explored. It was found that biogenesis using fungus has resulted in the synthesis of spherical crystalline ZnS particles of mean diameter 6.3 nm. FTIR analysis indicated the presence of active organic functional groups on the surface of the QDs. The optical and structural features of the biogenic ZnS were found to be comparable with that of the chemically synthesized quantum dots. Thereafter, the antibacterial activities of the biosynthesized ZnS QDs were observed against pathogenic bacteria. The green synthesized ZnS exhibited excellent antibacterial activity and were quantified using filter paper bioassay. Experimental evidences indicated that the antibacterial strategy relied on bacterial cell membrane disruption, leakage of the cytoplasmic contents and associated ROS mediated oxidative damages leading to bacterial cell lysis. Further, the prospects of biogenic ZnS for photodegradation of dyes and sensing of heavy metals in aqueous phase were investigated. [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
20. Papers of the Week: Catalysis in Motion.
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ENZYMES , *CHEMICAL synthesis , *CHROMOGENIC compounds , *CATALYTIC RNA , *CARBONIC anhydrase , *BIOCHEMISTRY - Abstract
The article presents a study wherein the researchers use an innovative approach to explaining enzyme-substrate complex. It says that visualizing enzymes with their bound substrates is fundamental to fully understand the catalytic process. They cryo-cooled crystals of human carbonic anhydrase II, under high pressure to capture the first step of such reaction. They then solved the substrate-bound structures of both the full enzyme and an apo form lacking the catalytic zinc.
- Published
- 2008
21. Unlocking the potential of amorphous calcium carbonate: A star ascending in the realm of biomedical application.
- Author
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Liu, Han, Wen, Zhiyang, Liu, Zihan, Yang, Yanfang, Wang, Hongliang, Xia, Xuejun, Ye, Jun, and Liu, Yuling
- Subjects
CALCIUM carbonate ,TISSUE engineering ,CONTRAST media ,ANTINEOPLASTIC agents ,CHEMICAL synthesis - Abstract
Calcium-based biomaterials have been intensively studied in the field of drug delivery owing to their excellent biocompatibility and biodegradability. Calcium-based materials can also deliver contrast agents, which can enhance real-time imaging and exert a Ca
2+ -interfering therapeutic effect. Based on these characteristics, amorphous calcium carbonate (ACC), as a brunch of calcium-based biomaterials, has the potential to become a widely used biomaterial. Highly functional ACC can be either discovered in natural organisms or obtained by chemical synthesis However, the standalone presence of ACC is unstable in vivo. Additives are required to be used as stabilizers or core–shell structures formed by permeable layers or lipids with modified molecules constructed to maintain the stability of ACC until the ACC carrier reaches its destination. ACC has high chemical instability and can produce biocompatible products when exposed to an acidic condition in vivo, such as Ca2+ with an immune-regulating ability and CO 2 with an imaging-enhancing ability. Owing to these characteristics, ACC has been studied for self-sacrificing templates of carrier construction, targeted delivery of oncology drugs, immunomodulation, tumor imaging, tissue engineering, and calcium supplementation. Emphasis in this paper has been placed on the origin, structural features, and multiple applications of ACC. Meanwhile, ACC faces many challenges in clinical translation, and long-term basic research is required to overcome these challenges. We hope that this study will contribute to future innovative research on ACC. This paper describes the origin, characteristics, and applications of amorphous calcium carbonate. By exploring its diverse features, it unveils multiple applications, providing valuable insights for its bio-related utilization. [Display omitted] [ABSTRACT FROM AUTHOR]- Published
- 2024
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22. Naked eye Fe(III) recognition and anticancer efficacy evaluation via diazenyl-propargyl appended imine functionalized moiety.
- Author
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Singh, Gurjaspreet, Heena, Gill, Baljinder Singh, Baliyan, Deepanjali, Gupta, Sofia, Sahoo, Subash Chandra, Vikas, Espinosa-Ruíz, Cristóbal, and Esteban, María Angeles
- Subjects
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CHEMICAL synthesis , *MOLECULAR docking , *BINDING constant , *X-ray crystallography , *HELA cells - Abstract
This paper discusses the synthesis of diazenyl-propargyl appended imine functionalized moiety alongside its crystallographic characterization. Its naked eye Fe(III) detection potential was collaborated by UV–Vis spectroscopy and the anticancer activity was validated by experimental and molecular docking approaches. [Display omitted] • Synthesized diazenyl-propargyl appended imine functionalized moiety (4). • Crystallographic analysis was conducted to well characterize the synthesized compound (4). • Compound (4) acted as 'naked eye' sensor for Fe(III). • Compound can be used as a paper sensor for Fe(III). • Compound (4) showed good anticancer activity against HeLa cells. The study delves into the synthesis of diazenyl-propargyl appended imine functionalized moiety (4) emphasizing its structural dynamic, Fe(III) sensitivity, and anticancer potential. The synthesized compound was characterized via NMR (1H,13C), TGA, mass spectrometry, and single-crystal X-ray crystallography. The color transition of the compound from yellow to red demonstrates naked-eye sensing for Fe (III), validated by UV–visible spectroscopy. The limit of detection (LOD) and Association Constant (K a) were calculated from the linear calibration curve and the B–H plot come out to be 28.71 nM and 2.17 × 105 M−1, respectively. As per Job's plot Fe(III) binds to probe (4) in 1:1 stoichiometry. The interaction of probe (4) with Fe(III) has been examined through VSM (vibrating spectrum magnetism) study, FT-IR, 1H NMR and mass spectrometry. The pharmacokinetic properties of the synthesized compound were assessed, emphasizing absorption, distribution, metabolism, excretion and toxicity. The cytotoxicity assay using SAF-1 cell line indicated that the compound is nontoxic. Also compound (4) showed positive response on cervical cancer cells line and this anti-cancer potential has been further explored through molecular docking analysis. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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23. Pyrene-appended imidazolium probes as 3,5-dinitrosalicylic acid sensors in 10% aqueous media.
- Author
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Kumar, Ashwani, Pandith, Anup, and Kim, Hong-Seok
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IMIDAZOLES , *SALICYLIC acid , *PYRENE , *CHEMICAL synthesis , *FLUORESCENT probes , *AQUEOUS solutions - Abstract
Pyrene-appended imidazolium salts ( 1 and 2 ) were synthesized for sensing of salicylic acids and they selectively and sensitively detected 3,5-dinitrosalicylic acid (3,5-DNSA) in pH 7.4 PBS–EtOH (1:9) solution. The interaction of 3,5-DNSA with 1 and 2 was examined by UV–visible, fluorescence, and 1 H NMR spectroscopy and was supported by DFT calculations. The binding of 3,5-DNSA to probe 2 leads to complete quenching of its green excimer emission because of loss of π – π interactions between the pyrene rings and energy transfer from electron-rich pyrene to electron-deficient 3,5-DNSA. Binding of 3,5-DNSA to probe 1 causes its blue (monomer) fluorescence to “switch off”. The limit of detection of 3,5-DNSA in water was 1 μM using probe 2 coated onto a paper strip. [ABSTRACT FROM AUTHOR]
- Published
- 2015
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24. Chemical synthesis of Mn–Zn magnetic ferrite nanoparticles: Effect of secondary phase on extrinsic magnetic properties of Mn–Zn ferrite nanoparticles.
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Deepty, M., Srinivas, Ch, Mohan, N. Krishna, Kumar, E. Ranjith, Singh, Surendra, Meena, Sher Singh, Bhatt, Pramod, and Sastry, D.L.
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MAGNETIC nanoparticles , *MAGNETIC properties , *CHEMICAL synthesis , *MAGNETIC anisotropy , *SUPERPARAMAGNETIC materials , *NANOPARTICLES , *FERRITES - Abstract
This paper presents a comprehensive investigation of the magnetic properties of co-precipitated Mn x Zn 1– x Fe 2 O 4 nanoferrites, where x takes the values of 0.5, 0.6, and 0.7. X-ray diffraction patterns indicated the presence of spinel phase. However, the ferrite composition x = 0.6 contains little trace of secondary phase α-Fe 2 O 3. The occurrence of cation redistribution in the current ferrite samples can be concluded from the deviation of oxygen position parameter (U) to that of optimum value (0.375). The bond angles facilitate the reduction of the A – B interaction and the increase of the B – B interaction. With the substitution of Mn2+ ions, the saturation magnetization (M s) exhibits both drops and increases whereas the coercivity (H c) consistently declines. The ferrite composition x = 0.7 exhibits the maximum value of M s and is equal to 27.9 emu/g. The blocking temperature (T B) rises in proportion to the degree of Mn2+ ion doping. The observation of quadruple doublets in the Mӧssbauer spectra indicates that the ferrite nanoparticles exist in single domain state exhibiting the quadruple interactions. The range of isomer shift (δ) 0.199–0.267 mm/s indicates the existence of exclusively high spin Fe3+ ions. Two paramagnetic doublets are anticipated to exist as a result of the core and shell of present ferrite nanoparticles. In the core-shell morphology of nanoparticles, the core is characterized by larger quadruple splitting (Δ) while the shell is characterized by smaller Δ. The results are integrated in terms of magnetocrystalline anisotropy and secondary phase presuming the core-shell structure of nanoparticles. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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25. Simulation and optimization of crude glycerol refining process as a co-product of biodiesel.
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Jiang, Haoxi, Geng, Kangkang, Zhang, Lu, and Wang, Lingtao
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PINCH analysis , *SULFURIC acid , *CHEMICAL synthesis , *PHASE equilibrium , *INDUSTRIAL costs , *GLYCERIN - Abstract
• Measurement of Glycerol-Water-Potassium sulphate System Phase Equilibrium Data. • Regression of Binary Interaction Parameters for Glycerol-Water System. • Simulation and Optimization of Crude Glycerol Refining Process. • Energy Integration and Optimization Through Pinch Analysis. Glycerol is an essential chemical raw material widely used in industries such as food, pharmaceuticals, cosmetics, tobacco, and textiles. With the increasing production of biodiesel, a considerable amount of crude glycerol co-product is generated. Purification of crude glycerol by separating it from biodiesel co-products can lead to the production of high-purity glycerol, thus enabling the synthesis of high-value-added chemicals to reduce the production cost of biodiesel. This paper proposes a new glycerol purification process based on the acidification of potassium oleate soap using sulphuric acid. The composition of crude glycerol is complex. The presence of salts can affect the binary interaction parameters of glycerol and water. The ion forms resulting from the ionization of potassium fatty acid soaps are not available in the database and require important data to be provided through physical property estimation. Additionally, the dissociation of sulphuric acid is involved in the system. These issues make it challenging to propose a complete process based on the characteristics of crude glycerol. In this study, the vapor–liquid equilibrium data of the glycerol-water system containing potassium sulphate under reduced pressure were experimentally determined, and the binary interaction parameters of the glycerol-water system were regressed and used in the subsequent process simulation. The entire process of crude glycerol refining from biodiesel co-products was simulated and optimized using Aspen Plus software, proposing an optimized complete refining process for crude glycerol and designing a crude glycerol refining process with a production scale of 100,000 tons per year. The potassium oleate soap is first acidified with sulphuric acid, then removed by centrifugation, with the resulting lower layer entering the distillation process. We compared two different distillation processes and identified the more optimal separation sequence. Glycerol products with a mass concentration of 99.2% were obtained, with glycerol and methanol yields of 98.83% and 99.79%, respectively. Based on the above research, energy integration and optimization of the process were further investigated through pinch analysis. Overall, energy savings of 7.192 Gcal/h were achieved, resulting in a reduction in energy consumption of 40.65%. This paper proposes a new purification scheme for crude glycerol and an energy integration scheme to reduce the purification cost of high-purity glycerol. This is significant for the rational utilization of crude glycerol, a co-product of biodiesel. [ABSTRACT FROM AUTHOR]
- Published
- 2025
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26. Research progress and application exploration of typical microreactor technologies for health monitoring and disease Diagnosis/Treatment.
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Tan, Zhongjian, Zheng, Yun, Shi, Huanhuan, Xu, Weizheng, Jia, Xuanhao, Dan, Zhengxian, Liao, Jiacong, Dai, Zhiying, and Xu, Chenyang
- Subjects
- *
MICROREACTORS , *TECHNOLOGICAL innovations , *CHEMICAL synthesis , *THERAPEUTICS , *MANUFACTURING processes , *MICROFLUIDICS - Abstract
• The precursor conditions and techniques for microreactions are introduced. • Four typical microreactor technologies and their basic principles are introduced. • The application scenarios of four typical microreactor technologies in the field of biomedicine are introduced. • The application prospects of comprehensive microreactor platforms in the fields of human health monitoring, drug development, and disease treatment are introduced. Microreactor is an important functional device in a microfluidic system, which has a significant impact on the overall performance of the microfluidic system. As an emerging technology, microreactor technology composed of various microreactors has a wide range of application prospects in the field of biomedicine. Trace reagent consumption and microscale structural design provide favorable conditions for chemical synthesis, sample detection, and biological process control. The development of a comprehensive microreactor platform provides new ideas and methods for human health diagnosis and disease treatment. This paper reviews the research progress and application exploration of microreactor technology in the field of biomedicine. The precursor conditions (materials, manufacturing processes, fluid drive and manipulation) of microreactions and several common microreaction technologies are introduced. The applications of various microreaction technologies (homogeneous/heterogeneous microreaction, droplet microreaction and microneedle microreaction technology) in the biomedical field are discussed in detail. Comprehensive application platforms for multi-microreactor combinations are also introduced, including biomedical sensing and smart instruments, drug development and healthcare platforms based on microneedle patches. Finally, this paper looks forward to the potential research hotspots and directions of microreactor technology in the future. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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27. A practical and scalable synthesis of ultra-long chain fatty acids avoiding column purification.
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Mahajan, Prashant, Rode, Suryakant R., Thakur, Ravi, Shirsath, Mahesh K., Dadhaniya, Bhavik, Doss, Rajesh, and Khan, Nadeem A.
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CHEMICAL synthesis , *CHEMICAL industry - Abstract
Fatty acids of vegetable and animal origin are an important renewable feedstock for the chemical industry. Their application has increased multifold during the last two decades. While there are many ways to synthesize fatty acids, the chemical synthesis route offers more advantages in terms of versatility and targeted synthesis. Though remarkable achievements have been made in the field of fatty acid synthesis, it is still in the preliminary stage of optimization. In this paper, we wish to report a more practical & scalable approach for the synthesis of fatty acids with carbon atoms ranging from 20 to 45. Fatty acids of vegetable and animal origin are an important renewable feedstock for the chemical industry. Their application has increased multifold during the last two decades. In this paper, we wish to report a more practical & scalable approach for the synthesis of fatty acids with carbon atoms ranging from 20 to 45. Different strategies were adopted for different chain lengths with milder conditions and safer reagents. Column purification was eliminated which makes this process highly suitable for scale-up. The end groups associated are capable for further valorisation of these fatty acids. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
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28. The concentration-dependent effect of NaOH on graphene oxide: Revisited as a reducing agent.
- Author
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Unnikrishnan, Aruna and Alexander, Libu K.
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GRAPHENE oxide , *REDUCING agents , *GRAPHENE synthesis , *RAMAN spectroscopy , *CHEMICAL synthesis - Abstract
Prudent knowledge of the factors in the chemical synthesis of reduced graphene oxide (rGO) can provide a considerable impetus for the precise repeatability needed for the technological adoption of graphene nanocomposites. Sodium Hydroxide (NaOH) is a common ingredient in the synthesis of rGO. The paper presents a systematic study of the effect of NaOH concentration on graphene oxide (GO). The threshold value, where NaOH starts acting as a reducing agent, is proposed in the paper. The finding was corroborated based on absorbance maxima obtained from the UV–Visible spectrum (π - π* transitions) and the peak intensity ratio of Raman spectra. The results indicate that NaOH has a remarkable role in tuning the functionality of graphene oxide. Furthermore, it is demonstrated that pH is not a critical factor in GO reduction. All these findings are vital to the NaOH-based pH tuning and industrial scaling of graphene-based nanocomposite synthesis. [Display omitted] • A systematic study on the effect of NaOH concentration in reaction with GO. • Estimation of the threshold concentration of NaOH needed for the reduction of GO. • The role of pH in GO reduction is insignificant. • The extent of GO reduction is correlated to the UV–Vis absorbance maxima variation. • UV–vis spectral shift is not an accurate indicator of the GO reduction extent. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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29. Modification of carboxymethyl inulin with heterocyclic compounds: Synthesis, characterization, antioxidant and antifungal activities.
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Mi, Yingqi, Zhang, Jingjing, Han, Xiangru, Tan, Wenqiang, Miao, Qin, Cui, Jingmin, Li, Qing, and Guo, Zhanyong
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- *
INULIN , *HETEROCYCLIC compounds synthesis , *ANTIFUNGAL agents , *NUCLEAR magnetic resonance spectroscopy , *BOTRYTIS cinerea , *CHEMICAL synthesis - Abstract
A series of novel inulin derivatives were designed and synthesized by the introduction of amino heterocyclic moieties onto carboxymethyl inulin with the aid of 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride and N -hydroxysuccinimide. The target products were prepared via three - step chemical synthesis, and structures were identified by FTIR and 1H NMR spectroscopy. Antioxidant activities of inulin derivatives including DPPH - radical scavenging assay, superoxide - radical scavenging assay, hydroxyl - radical scavenging assay, and reducing power were estimated. Meanwhile, their antifungal activities, including Colletotrichum lagenarium and Botrytis cinerea , were also explored by hyphal measurement. In particular, inulin derivatives bearing heterocyclic moieties exhibited a remarkable improvement over inulin on antioxidant and antifungal activities, and their bioactivities decreased roughly in the order of 2ATCMI > 4APCMI > 3APCMI > 2APCMI > 3ATCMI > CMI > inulin. Furthermore, the cytotoxicities of inulin derivatives against L929 cells were evaluated by CCK-8 in vitro , and all samples showed weak cytotoxicities. In a nutshell, the paper provides a practical approach to synthesize novel inulin derivatives with dramatically enhanced bioactivity and good biocompatibility. The product described in paper might serve as a new leading structure for further design of antioxidants or antifungal agents in biomedicine, cosmetics, and other fields. [ABSTRACT FROM AUTHOR]
- Published
- 2021
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30. A simple quinazolinone-isophorone based colorimetric chemosensor for the reversible detection of copper (II) and its application in real samples.
- Author
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Sawminathan, Sathish, Munusamy, Sathishkumar, Manickam, Saravanakumar, and KulathuIyer, Sathiyanarayanan
- Subjects
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CHEMORECEPTORS , *LOGIC circuits , *METAL ions , *DETECTION limit , *CHEMICAL synthesis , *COPPER - Abstract
• A quinazolinone-isophorone derived colorimetric sensor IAH was developed for the rapid detection of Cu2+ion. • Probe IAH can specially recognize Cu2+ ion over other metal ions. • The limit of detection for Cu2+ ion was found to be 141 nM. • The formation of IAH+Cu2+ complex was proved by 1H NMR titration, job's plot and DFT calculation. • IAH system can also be applied in low-cost test paper strips application for detection of Cu2+ ion. This paper presents the design and synthesis of a new colorimetric chemosensor based on quinazolinone-isophorone (IAH) to colorimetrically detect Cu2+ ions with high selectivity in the aqueous acetonitrile solution.In the presence of Cu2+, the synthesized compound had a remarkable colorimetric response from yellow to colorless, which could be seen with naked eyes. The analytical performance features of the proposed Cu2+ sensor are studied. The chemosensor can be applied to the quantification of Cu2+with a significant detection limit of 141 nM. The experiment results show that the colorimetric response of IAH towards Cu2+is pH-independent under a wide range of pH from 3.0 to 10.0. Moreover, the colorimetric response of IAH +Cu2+ can be reversed with EDTA multiple times. The mechanism of interaction between the IAH and Cu2+ions has been studied by Job's plot, HRMS, and 1HNMR titration experiments, which confirmed 1:1 binding stoichiometry between IAH and Cu2+. The real-time application of Cu2+ detection was demonstrated in test paper-based detection, constructing the molecular logic gate and quantifying Cu2+in water samples. [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF
31. Synthesis, spectroscopic characterization and DFT calculations of β-O-4 type lignin model compounds.
- Author
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Mostaghni, Fatemeh, Teimouri, Abbas, and Mirshokraei, Seyed Ahmad
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- *
DENSITY functional theory , *SPECTROMETRY , *LIGNINS , *CHEMICAL synthesis , *PAPER industry , *NUCLEAR magnetic resonance spectroscopy - Abstract
Highlights: [•] We propose the new and easy reaction for synthesis of β-O-4 lignin model compounds. [•] Two model compounds is synthesised and characterize by IR, Mass and NMR spectroscopy. [•] Density functional theory (DFT) calculations have been carried out. [•] The results indicates DFT gives satisfactory results for these compounds. [•] These data will improve methods of synthesis and understanding of paper industry. [Copyright &y& Elsevier]
- Published
- 2013
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32. TRPM8 and TRPA1 ideal targets for treating cold-induced pain.
- Author
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Qi, Yiming, Gong, Hao, Shen, Zixian, Wu, Limeng, Xu, Zonghe, Shi, Nuo, Lin, Kexin, Tian, Meng, Xu, Zihua, Li, Xiang, and Zhao, Qingchun
- Subjects
- *
TRP channels , *PERIPHERAL nervous system , *STRUCTURE-activity relationships , *CHEMICAL synthesis , *ION channels , *PHYSIOLOGICAL effects of cold temperatures - Abstract
TRP channels are essential for detecting variations in external temperature and are ubiquitously expressed in both the peripheral and central nervous systems as integral channel proteins. They primarily mediate a range of sensory responses, including thermal sensations, nociception, mechanosensation, vision, and gustation, thus playing a critical role in regulating various physiological functions. In colder climates, individuals often experience pain associated with low temperatures, leading to significant discomfort. Within the TRP channel family, TRPM8 and TRPA1 ion channels serve as the primary sensors for cold temperature fluctuations and are integral to both cold nociception and neuropathic pain pathways. Recent advancements in the biosynthesis of inhibitors targeting TRPM8 and TRPA1 have prompted the need for a comprehensive review of their structural characteristics, biological activities, biosynthetic pathways, and chemical synthesis. This paper aims to delineate the distinct roles of TRPM8 and TRPA1 in pain perception, elucidate their respective protein structures, and compile various combinations of TRPM8 and TRPA1 antagonists and agonists. The discussion encompasses their chemical structures, structure-activity relationships (SARs), biological activities, selectivity, and therapeutic potential, with a particular focus on the conformational relationships between antagonists and the channels. This review seeks to provide in-depth insights into pharmacological strategies for managing pain associated with TRPM8 and TRPA1 activation and will pave the way for future investigations into pharmacotherapeutic approaches for alleviating cold-induced pain. [Display omitted] • Overview of TRP family in nociception, focusing on TRPM8 and TRPA1. • TRPM8 and TRPA1 share structural and functional homology in cold transduction. • Comparative analysis of TRPM8 and TRPA1 structures and functions. • Review of classical agonists and antagonists for TRPM8 and TRPA1 channels. • Insights for developing therapies targeting cold-induced pain mechanisms. [ABSTRACT FROM AUTHOR]
- Published
- 2025
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33. Discovery of new pyrazole-4-carboxamide analogues as potential anticancer agents targeting dual aurora kinase A and B.
- Author
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Yevale, Digambar, Teraiya, Nishith, Lalwani, Twinkle, Dalasaniya, Mayur, Patel, Saumya K., Dixit, Nandan, Sangani, Chetan B., Kumar, Sujeet, Mulukuri, N.V.L. Sirisha, Huang, Tao, Duan, Yong-Tao, and Zhang, Jie
- Subjects
- *
AURORA kinases , *CHEMICAL synthesis , *KINASES , *CELL populations , *CELL cycle - Abstract
Aurora kinases A and B are critical regulators of cell division and cytokinesis. Abnormal expression of Aurora kinases A and B causes chromosomal instability and disrupts several tumor suppressor and oncoprotein-controlled pathways. As a result, there has been a spike in interest in developing inhibitors against these kinases as anticancer treatments. This paper addresses the discovery, anticancer evaluation and druggability study of new pyrazole-4-carboxamide analogues as kinases inhibitors. Among the compounds, 6k demonstrated the highest cytotoxicity against HeLa and HepG2 cells, with IC 50 of 0.43 μM and 0.67 μM, respectively. It selectively inhibited Aurora kinases A and B, with IC 50 values of 16.3 nM and 20.2 nM, respectively, in comparison to other kinases. Molecular investigations revealed that 6k induced the inhibition of phosphorylated Thr288 (Aurora kinase A) and phosphorylated Histone H3 (Aurora kinase B), confirming its mechanism of action. Beside, compound 6k arrested the cell cycle at the G2/M phase by modulating cyclinB1 and cdc2 protein levels and increasing the Sub-G1 cell population. It also significantly increased polyploidization (>8 N) and abnormal mitosis, likely due to Aurora kinase inhibition. Furthermore, 6k boosted apoptosis through the intrinsic route, with elevated levels of p53, Bak, Bax, cleaved caspase-3, and cleaved PARP. Moreover, docking and MD simulations validated kinase inhibition-induced anticancer effects. Additionally, 6k satisfied drug-likeness parameters and remained stable in the in vitro metabolism. These findings indicate that 6k warrants further in vivo pharmacokinetic and pharmacodynamics investigations. [Display omitted] • Designed and synthesised compounds screened for cytotoxicity. • The Aurora kinase activities of the target compounds are confirmed by kinase inhibitory activity test. • Inhibition of Aurora Kinases causes polyploidization and mitotic arrest. • Compounds also induced anticancer effects via intrinsic apoptosis pathway. • Aurora kinase inhibition was predicted by docking and MD simulation. • Compound 6k passes drug likeness-filter and stable in in-vitro liver metab olism. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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34. High-efficiency synthesis of colloidal silica via suppression of foam layer.
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Chen, Hao, Chu, Chengyi, Bao, Xixi, Qiu, Zhuohao, Dong, Jiajing, Ying, Songtao, Shan, Xinggang, Guo, Jianjun, Xu, Gaojie, Cheng, Yuchuan, and Sun, Aihua
- Subjects
- *
SILICA gel , *CHEMICAL synthesis , *NANOPARTICLES , *POWDERS , *HYDROLYSIS , *FOAM - Abstract
• By adding defoaming substances to inhibit the foam layer, the reaction conversion rate is increased in a short time. • The initial reaction conversion was increased from 54.8 % to 85 % within 4 h. • It provides a new development strategy for efficient chemical synthesis of colloidal silica. As an important fundamental material, colloidal silica is widely used in many fields. Hydrolysis of elemental silicon is an important method for the preparation of colloidal silica. This method has been widely studied because of its simple process, low cost, easy control of colloidal particle size and good stability. However, this method has the problem of low reaction conversion rate (RCR). This paper proposed an efficient method to increase RCR of colloidal silica by inhibiting the formation of a foam layer. After the size of the silicon powder particle, reaction time, and the defoamer types were optimized, the defoamer of hydrophobic fumed silica could effectively inhibit the increase of foam layer and improve the yield of colloidal silica, the RCR was significantly increased from 54.8 % to 85 % within 4 h. This research provides an innovative strategy for the efficient chemical synthesis of colloidal silica. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
35. In situ growth of oxygen vacancies-rich ZnO nanorods for N-methyl pyrrolidone sensors.
- Author
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Gui, Yanghai, Zhao, Shuaishuai, Tian, Kuan, Wu, Jintao, Guo, Huishi, Qin, Xiaoyun, Qin, Xiaomei, Guo, Dongjie, and Fang, Canxiang
- Subjects
- *
OXYGEN vacancy , *GAS detectors , *ENVIRONMENTAL monitoring , *ELECTRONIC materials , *CHEMICAL synthesis - Abstract
N-methyl pyrrolidone (NMP) is an organic compound that is mainly used in chemical synthesis, the manufacture of anesthetics and pesticides, and the production of electronic materials, especially in the preparation of electrodes for lithium-ion batteries. However, their high volatility and toxicity pose potential risks to health and the environment. Therefore, the development of rapid, highly sensitive and low-cost NMP gas sensors is urgent. In this paper, ZnO nanorods were in situ grown on ceramic tubes via hydrothermal method and subsequently annealed at different temperatures. The gas sensing performance of ZnO nanorods after annealing at different temperatures was investigated. The results show that the ZnO nanorods annealed at 400 °C have more oxygen vacancies and excellent selectivity to NMP at 210 °C, with a response value of up to 67.33–100 ppm NMP, a response time of 25 s, and a low recovery time as low as 8 s. The sensors have potential applications for rapid monitoring of NMP and environmental health protection, providing a simple and feasible method for NMP detection. [Display omitted] • Gas sensors were prepared for NMP detection with detection limit of 288 ppb. • Size-homogeneous ZnO nanorods were prepared by in situ growth method. • Oxygen vacancies generated by annealing treatment improved the performance of gas sensors. • The sensors exhibit high selectivity and stability with short response/recovery time. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
36. 1,2,3-Triazole appended Schiff base functionalized silanes: A colorimetric sensor of Al (III) and a potent inhibitor of butyrylcholinesterase in Alzheimer's diseases via molecular docking.
- Author
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Singh, Gurjaspreet, Devi, Swati, Singh, Akshpreet, Mohit, Devi, Anita, Diksha, Sharma, Sanjay, Esteban, María Angeles, and Espinosa-Ruíz, Cristóbal
- Subjects
- *
CHEMICAL reactions , *CHEMICAL synthesis , *ALUMINUM foil , *SCHIFF bases , *ALZHEIMER'S disease , *CLICK chemistry - Abstract
This paper represents the synthesis of 1,2,3-triazole appended Schiff base functionalized silanes as colorimetric sensors for the detection of Al (III) and molecular docking analysis with butyrylcholinesterase in Alzheimer's diseases. A Boolean molecular logic circuit based on the reversible nature for ligand 7a was built. The real sample analysis performed with the aluminium foil. [Display omitted] • 1,2,3-Triazole appended Schiff base functionalized silanes has been achieved via a copper-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry reaction. • Sensing behaviour of the synthesized compounds were evaluated towards various cations. • The binding mode of compound 7a with Al (III) was proven by NMR techniques. • The synthesized compounds (7a-c) were evaluated for cytotoxicity. • Molecular docking analysis was performed for compound 7a with the active site of soman-aged human butyryl cholinesterase in complex with the substrate analog butyrylthiocholine (PDB ID: 1P0P). The current article reports the synthesis of 1,2,3-triazole appended Schiff base functionalized silanes. The organosilane 7a used for the colorimetric detection of Al (III). The absorption studies have been performed, resulting in a limit of detection values of 1.28 × 10-7 M for the ligand7a.In order to validate the practical applicability of the synthesized probe, the real sample analysis has been performed with aluminium foil in distilled water. Further,the ligand 7a reversibility from [ligand 7a + Al (III)] complex upon EDTA addition can be utilised to build a molecular logic gate, with Al (III) and EDTA considered as inputs and the absorbance intensity at 433 nm considered as the output.The potential binding site of 7a for the Al (III) has been analysed by characterizing the metal–ligand complex using 1H NMR spectroscopy. The cytotoxicity assay of compounds 7(a-c) was performed using SAF-1 (ECACC n°00122301), rendering thenon-toxicity of synthesized compounds. The binding energy of −10.16 Kcal mol−1 demonstrated that the ligand 7a is a potent inhibitor for the butyrylcholinesterase enzyme and might be employed as an anti-Alzheimer agent in the future. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
37. Geraniol – A review update.
- Author
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Chen, Weiyang and Viljoen, Alvaro M
- Subjects
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FUMIGATION , *TRANSDERMAL medication , *BIBLIOMETRICS , *INSECT-fungus relationships , *INHALATION administration , *CHEMICAL synthesis - Abstract
• Geraniol, and import natural volatile compound is reviewed • A total of 3068 papers published during 2010–2021 have been considered • Major developments in both biosynthesis and chemical synthesis have been achieved • Geraniol remains an important molecule in pharmacological research • Promising insecticide and pest repellent effects have been reported Geraniol is an acyclic isoprenoid monoterpene that is biosynthesised by a large number of aromatic plants. It is widely used in cosmetics, household products and pharmaceuticals, because of its low toxicity and environmentally-friendly profile. An increasing demand for the compound has encouraged research into alternative synthetic routes, and great efforts are still aimed to increase the compound yield through heterologous production in micro-organisms, using a variety of different strategies. Geraniol is proven to exhibit various biological activities, including antitumour, anti-inflammatory, anti-oxidant, antimicrobial, hepatoprotective, cardioprotective and neuroprotective effects. The lipophilic compound is a relatively good penetration enhancer and can be used to increase transdermal drug delivery. Encapsulation of the compound using different methods has circumvented problems associated with the dispersal of the non-polar entity within aqueous matrices, such as foods, to prevent spoilage. The volatile nature of the compound lends itself to applications such as postharvest fumigation of grain crops to protect against invading insects and mycotoxin-producing fungi, and as a mosquito repellent. In addition, administration via inhalation can combat respiratory pathogens susceptible to geraniol, while combating inflammation. Using the multidisciplinary Scopus database, it became evident through a bibliometric analysis of the available literature spanning the past 12 years that, despite a host of research reports documenting the anticancer activity of the compound, research is limited to in vitro, in silico and in vivo experiments, while clinical trials are completely lacking. This review is an update to our 2010 publication on the same topic and aims to reflect and compare the progress, and to highlight the potential and opportunities for further evidence based research. [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF
38. Review of the methodologies used in the synthesis gold nanoparticles by chemical reduction.
- Author
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Daruich De Souza, Carla, Ribeiro Nogueira, Beatriz, and Rostelato, Maria Elisa C.M.
- Subjects
- *
CHEMICAL reduction , *GOLD nanoparticles , *REDUCING agents , *CHEMICAL synthesis , *VITAMIN C , *STUDENT financial aid - Abstract
This paper presents a review in gold nanoparticles focusing on chemical reduction synthesis mechanisms. We hope to aid students and researchers starting in the nanotechnology field by compiling the most used synthesis methods, so they can select the ones that best suit them. The compiled information in this paper approached the following methods: Turkevich Method; Synthesis with NaBH 4 with/without citrate; Seeding- Growth; Synthesis by Ascorbic Acid; Green Synthesis; Brust-Schiffrin; and synthesis using other reducing agents. Papers that had clear synthesis information were selected for this work, but that doesn't mean they were synthesis focused. Over 150 papers were analyzed. After compiling the information for these papers, we can conclude that nanoscience is revolutionizing all the areas that are applied to. Image 1 • This paper presents a review in gold nanoparticles focusing on synthesis mechanisms. • From the data gathered, a rapid increase in publications is observed. • The most important factor is that the end result has a narrow size distribution. • The most used is the Turkevich methodology that yields particles in the 10 nm range. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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39. A comprehensive review on synthesis, stability, thermophysical properties, and characterization of nanofluids.
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Sezer, Nurettin, Atieh, Muataz A., and Koç, Muammer
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NANOFLUIDS , *CHEMICAL synthesis , *THERMOPHYSICAL properties , *HEAT transfer , *THERMAL conductivity - Abstract
Abstract Nanofluids are a new generation of heat transfer fluids that have attracted researchers' attention from diverse fields due to their anomalous thermal behavior and potential applications. In the past few decades, numerous studies have been carried out to investigate the thermal properties of nanofluids. A long-term stability is the first basic requirement in nanofluids research for maintaining their enhanced thermophysical properties. Thus, a holistic approach including stability and thermophysical properties is needed to achieve the synthesis of nanofluids with outstanding thermal properties. In this paper, a comprehensive literature on the synthesis, stability, thermophysical properties, and the characterization of nanofluids has been reviewed. Moreover, the factors that influence the thermophysical properties have been discussed. Finally, the applications and challenges of nanofluids have been mentioned. This paper provides an extensive review on nanofluids that critically summarizes and analyzes the recent research studies on nanofluids and sheds light on gaps, opportunities and further enhancement towards performance improvement of nanofluids. Graphical abstract Unlabelled Image Highlights • The most widely investigated parameter for nanofluids is thermal conductivity. • High thermal conductivities are reported with MWCNTs, CuO and Au nanofluids. • Stability is a significant challenge for heat transfer applications of nanofluids. [ABSTRACT FROM AUTHOR]
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- 2019
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40. Hierarchically porous BiOBr/ZnAl1.8Fe0.2O4 and its excellent adsorption and photocatalysis activity.
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Bing, Xingmei, Jian, Xinying, Chu, Jinghui, Li, Jia, and Guo, Chunyan
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SEMICONDUCTORS , *ADSORPTION (Chemistry) , *PHOTOCATALYSIS , *CHEMICAL synthesis , *HETEROJUNCTIONS - Abstract
Graphical abstract Highlights • A novel 2D porous BiOBr/ZnAl 1.8 Fe 0.2 O 4 heterojunction photocatalyst was successfully synthesized using tissue paper as template. • BiOBr/ZnAl 1.8 Fe 0.2 O 4 exhibited both high adsorption capacity and superior photocatalytic activity in removal of antibiotics and anionic dyes from water under simulated sunlight irradiation. • Adsorption and photocatalytic degradation mechanism were proposed. Abstract Herein, we reported an efficient and green approach to synthesize a novel 2D BiOBr/ZnAl 1.8 Fe 0.2 O 4 heterojunction photocatalysts by using tissue paper as template. The as-prepared sample was composed of microfibers interspersed with each other to form 2D structure, and each microfiber was assembled by BiOBr microspheres and ZnAl 1.8 Fe 0.2 O 4 nanoparticles derived from layered double hydroxides precursors. The obtained samples exhibited both high adsorption capacity and superior photocatalytic activity in removal of antibiotics and anionic dyes from water. The maximum adsorption capacities of BiOBr/ZnAl 1.8 Fe 0.2 O 4 towards Congo Red (CR) and Doxycycline (DC) were 210.5 and 227.4 mg g−1, respectively, and the pseudo-second order kinetic model describes the adsorption process well. The as-synthesized samples also exhibited superior photocatalytic activity toward low concentration of CR and DC under simulated sunlight irradiation thanks to its high charge separation ratio, hierarchically porous morphology and synergic adsorption-photocatalysis effect. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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41. Recent progress in the synthesis of natural product inspired bioactive glycohybrids.
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Singh, Kavita, Sharma, Sunil, Tyagi, Rajdeep, and Sagar, Ram
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NATURAL products , *CHEMICAL synthesis , *NUCLEOPHILIC reactions , *PROTEIN-carbohydrate interactions , *COUMARINS , *RING formation (Chemistry) , *IMIDAZOLES , *CARBENES - Abstract
Carbohydrates are a basic structural component that are indispensable to all cellular processes. In addition to being employed as chiral starting materials in the synthesis of a variety of natural products, carbohydrates are recognized as naturally occurring molecules having an enormous variety of functional, stereochemical, and structural properties. The understanding and biological roles of carbohydrate derived molecules can be greatly improved by selectively synthesizing functional carbohydrates through incorporating them with privileged scaffolds. For a deeper understanding of their roles and the development of functional materials based on sugar, it is crucial to develop new techniques for efficiently synthesizing, functionalizing, and modifying carbohydrates. Glycohybrids have a wide range of structural and functional characteristics along with protein-carbohydrate interactions that are crucial to mammalian biology and a number of disease states. This review, consisting the literature from January 2017 to July 2023 and provide an overview of recent developments in the chemical synthesis of glycohybrids based on natural product scaffolds of coumarin, quinolone, naphthalene diimide, indole, isatin, naphthoquinone, imidazole and pyrimidine. The biological activity of active glycohybrids are discussed in this review. This review presented the recent developments in the chemical synthesis of glycohybrids, based on natural product scaffolds consisting the literature of during January 2017 to June 2023. The identified natural product skeletons covered in this review are coumarin, quinolone, indole, isatin, naphthoquinone, imidazole, pyrimidine and naphthalenediimide. The biological activity of active Glycohybrids are also discussed in this review. [Display omitted] • This review paper highlights the current advancements in the chemical synthesis of N- and O-based glycohybrids. • The literature from January 2017 to July 2023 is covered in this review paper. • This review paper highlights that glycohybrids can be synthesized by using a variety of reactions based on click reaction, 6π electrocyclization, C–H hydroxylation, base catalyzed nucleophilic reaction, palladium-catalyzed C–H reaction, 4π conrotatory imino-Nazarov cyclization etc.Stereoselective cycloaddition, Linch-Pin C–H activations, 1,3-dipolar cycloaddition, N-heterocycle carbene-catalyzed dual Stetter reaction and iron-mediated oxidative radical−polar crossover reaction were also highlighted. • This review paper discuss the links between structure and activity of some biological active glycohybrids. [ABSTRACT FROM AUTHOR]
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- 2023
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42. Wet chemical synthesis of Gd+3 doped vanadium Oxide/MXene based mesoporous hierarchical architectures as advanced supercapacitor material.
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Tahir, Talya, Alhashmialameer, Dalal, Zulfiqar, Sonia, Atia, Amany M.E., Warsi, Muhammad Farooq, Chaudhary, Khadija, and El Refay, Heba M.
- Subjects
- *
VANADIUM oxide , *CHEMICAL synthesis , *ENERGY storage , *ELECTROLYTIC reduction , *ELECTRIC capacity , *VANADIUM - Abstract
In this paper, Gd3+ doped V 2 O 5 /Ti 3 C 2 T x MXene (GVO/MX) hierarchical architectures have been synthesized by wet chemical approach. As prepared GVO/MX composite, along undoped VO and unsupported GVO were well characterized by XRD, FESEM, EDX, FT-IR and BET techniques. Electrochemical performance of VO, GVO and GVO/MX was evaluated by CV, GCD and EIS measurements. Among the three electrodes, GVO/MX composite exhibited highest electrochemical activity with the optimum specific capacitance of 1024 Fg-1 at 10 mVs−1. The specific capacitance of GVO/MX was ∼1.7 and ∼3 times higher than unsupported GVO (585 Fg-1) and VO (326 Fg-1), respectively. The cyclic life of GVO/MX with capacitance retention 96.12% was observed at 60 mVs−1. EIS measurements showed reduction in electrochemical impedance for GVO/MX as compared to GVO and VO. The corresponding impedance values of Rct and Resr for GVO/MX were calculated as 18 Ω and 1.8 Ω, respectively. The superior capacitive ability of GVO/MX can be ascribed to its unique morphology, short diffusion path and high surface area of fabricated composite. Considering it, the present work provides a feasible strategy to fabricate highly effective electrode materials for next generation energy storage devices. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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43. Effect of chromium precursor on stoichiometries of Cr3S4 and Cr2S3 nanoparticles by chemical aggregation reactions.
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Leyva Ontiveros, R., Ramírez-Bon, R., Pineda-León, H.A., Acosta-Enríquez, M.C., Carrillo-Castillo, A., de León, A., and Castillo, S.J.
- Abstract
• Simple solution-based method to synthesize Cr 3 S 4 /Cr 2 S 3 nanoparticles by choosing the right chromium precursor. • Key differences were in morphology and composition, while optical properties remained similar. • Crystal mixtures are likely, as shown here, offering insights since most studies report pure compounds, which is rare. We developed two formulations to synthesize chromium sulfide nanoparticles to analyze the effect of the chromium precursors to obtain different stoichiometries. Most works do not report samples with entangled stoichiometries. In this paper, we got a pure sample and an entangled one through slightly different formulations. There is very few information on the Raman and XPS data for chromium sulfide compounds. In this work, we support the available information through the lattice determination, indexing the diffraction patterns. The method, chemical aggregation reactions , that we utilized to prepare our material is straightforward. Besides, it is associated with short lengths of time, low costs, the number of instruments needed, precursors easy to manage and room temperature. Both formulations to elaborate the nanoparticles mentioned above differ just in the step related to the appropriate selection of the chromium source. The characterization techniques transmission electron microscopy (TEM), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS), UV–Vis spectroscopy, were implemented to identify our nanoparticles' chemical composition and optical properties. The first formulation leaded to an entangled composite of monoclinic Cr 3 S 4 and rhombohedral Cr 2 S 3 (Cr 3 S 4 /Cr 2 S 3). The second formulation yielded a pure stoichiometry corresponding to hexagonal Cr 2 S 3. The direct band gaps were found using the Tauc theory; the results were 2.73 eV for Cr 3 S 4 /Cr 2 S 3 and 2.67 eV for Cr 2 S 3. In addition, optical responses of transmission, absorption, reflection, and refractive index are presented. [ABSTRACT FROM AUTHOR]
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- 2025
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44. Design, synthesis, structural, in silico, and in vitro exploration of structurally modified hydrazones of piperidin-4-one with acetyl & ester moieties.
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Karthiga, A․R, Divyabharathi, S, Reshwen Shalo, R, Rajeswari, K, and Vidhyasagar, T
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- *
SURFACE analysis , *SINGLE crystals , *ESTROGEN receptors , *MOLECULAR docking , *CHEMICAL synthesis - Abstract
• Structurally modified hydrazones of piperidin-4-one with bioactive chloroacetyl and ester. • Characterization through IR, 1H NMR, 13C NMR, ESI–MS, and SC-XRD. • X-ray analysis revealed the distorted boat conformation of the heterocyclic ring. • Electronic properties and crystal packing were investigated using DFT and Hirshfeld surface analysis. • Biological evaluation carried out using in-silico and In-vitro anticancer studies. The accessibility and bioavailability of medicinally important molecules like piperidones can be improvised by specific structural modifications and such modifications can be effected by acetylation & esterification of core moiety, as it changes physicochemical properties. Synthesis of hydrazinecarboxylate derivatives of 1-(2-chloroacetyl)-3-methyl-2,6-diphenylpiperidin-4-ones (3a-i) which are structural hybrids of hydrazone of piperidone with acetyl and carboxylate templates is being reported in this paper. The synthesized compounds were structurally characterized by IR, 1H & 13C NMR, mass (3a-d, 3f) spectral techniques, and single crystal X-ray diffraction study (3b and 3d). For compound 3b , 2D NMR (HSQC & HMBC) was recorded for unambiguous assignments of chemical shifts. In addition to the SC-XRD for compounds 3b and 3d , the DFT study revealed the distorted boat conformation of the piperidone ring having E – configuration about the hydrazone moiety in both molecules. Hirshfeld surface analysis on 3b and 3d , exposed the H...H interaction in both the molecules supports their crystal stability to the maximum extent (≥ 53 %) while other interactions viz. , O...H, Cl...H, C...H also contribute to the crystal stabilization. In silico bio-study for (3a-i) was done by AutoDock4 with human estrogen receptor (3ERT) protein and found the docking scores ranging from − 7.18 to − 8.64 kcal/mol. The compound 3d identified to possess pronounced biological potential towards the tested protein through the molecular docking studies, was subjected to in vitro (MTT) assay against MCF-7 cell line to explore its anticancer potential. [Display omitted] [ABSTRACT FROM AUTHOR]
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- 2025
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45. Ni infused ZnO flake-like nanostructure for enhanced gas sensing performance.
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Lokhande, S.D., Awale, M.B., Kathwate, L.H., Zadke, V.B., and Mote, V.D.
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- *
ENERGY dispersive X-ray spectroscopy , *THIN films , *CHEMICAL synthesis , *ENERGY bands , *X-ray diffraction , *ZINC oxide films - Abstract
• The Ni doped ZnO nanoflakes were successfully synthesized through a spray pyrolysis method. • 3 % Ni-doped ZnO showed 86 % acetone sensing at 50 ppm, room temperature. • Smaller nanoflakes in 3 % Ni-doped ZnO enhanced surface area for sensing. • Ni doping increased Urbach energy, indicating more electronic disorder. • Higher Ni doping improved response time but decreased overall sensing. The proposed paper features undoped and Ni doped ZnO films for the acetone sensing capability optimized for room temperature operations. ZnO thin films with Ni doping were fabricated by a spray pyrolysis technique. X-ray diffraction (XRD) study indicates that undoped and Ni doped ZnO films have polycrystalline nature of hexagonal (wurtzite) structure. The optical analysis showed that film transmittance values decrease with the intensification of nickel into the ZnO host lattice. The energy band gap of the films decreased from 3.24 to 3.17 eV with doping. This consequently showed an increase in Urbach energy values. Nanoflake morphology is observed for doped ZnO thin films. Nevertheless, slight changes in the nature of nanoflakes were observed with Ni doping. The composition of the elements was confirmed using Energy dispersive X-ray analysis (EDX). All the thin film samples were tested for gas sensing capability for acetone for low concentration (50 ppm). Ni doped ZnO films at low doping percentage showed enhancement in sensing response of 86 % with lesser response time and recovery time of 30 s and 88s. However, at a higher doping percentage the response to acetone was observed to be reduced with a further decrease in response time. This study highlights that nanoflake morphology is consistent across all samples. However, the optimal gas sensing performance is achieved at lower Ni doping levels, with further doping leading to diminished response. Future development of Ni-doped ZnO-based sensors can offer high sensitivity even at room temperature. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2025
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46. Catalyst-free synthesis, antimicrobial evaluation, DFT, and molecular docking studies of novel spiro benzo[d]pyrrolo[2,1-b]thiazole-1,2′-indene hybrids.
- Author
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Salehzadeh, Jaber, Nassiri, Mahmoud, and Dehghani, Zahra
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- *
MOLECULAR docking , *SPIRO compounds , *HETEROCYCLIC compounds , *DENSITY functional theory , *CHEMICAL synthesis , *PHTHALAZINE - Abstract
• Novel Catalyst-Free Synthesis. • DFT Calculations. • Antimicrobial Evaluation. • Molecular Docking Studies. • ADMET Analysis. This research paper focuses on a novel, rapid, facile and highly efficient catalyst-free multi-component reaction of benzothiazole core 1 , with 2-bromo-1,3-indandione 2 in the presence of acetylenic esters 3 for the synthesis of 1′,3′-dioxo-1′,3′-dihydro-3a H -spiro[benzo[ d ]pyrrolo[2,1- b ]thiazole-1,2′-indene]-3-carboxylate derivatives 4a-i. This method was completed at ambient temperature in only 8 h with excellent yields, utilizing mild reaction conditions and cost-effective starting materials. Full confirmation of the synthesized compounds was obtained by a range of spectroscopic and analytical techniques, such as elemental analysis, 1HNMR, 13 CNMR, IR, and MS. The described structure of 4a was subjected to structural and electronic investigation, as well as 1H and 13C chemical shifts, which were computed using the Gaussian 09 package and the B3LYP/6-311++G (d, p) level of density functional theory (DFT) approach. The DFT study set out to allocate spectroscopic data in a way that made sense. The calculated DFT data are in close agreement with the experimental data. Several bacterial strains were used to assess the produced compounds' antibacterial properties. Certain substances demonstrated antibacterial activity that was either equivalent to or superior to the reference medications, gentamicin, and ciprofloxacin. Molecular docking research was also conducted on the chosen chemicals. According to the ADMET study of the synthesized molecules, structures 4a, 4d and 4g show the most promise as drug-like molecules. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2025
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47. Design and synthesis of novel quinoxaline-piperazine linked isoxazole conjugates: Anti-cancer assessment, tyrosine kinase EGFR inhibitory activity, molecular docking and DFT studies.
- Author
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Ravula, Sharada, Banothu, Devender, Palabindela, Rambabu, Thirukovela, Narasimha Swamy, Dasari, Gouthami, and Bandari, Srinivas
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CHEMICAL synthesis , *MAGNETIC suspension , *MOLECULAR docking , *DENSITY functional theory , *PIPERAZINE , *ELECTRIC potential , *ERLOTINIB - Abstract
• Micron-sized boronic acid-modified magnetic agarose beads (BPMAB) were fabricated. • BPMAB possessed excellent magnetic responsiveness and suspension ability in aqueous. • BPMAB-based solid-phase microextraction (MSPE) could enrich high-quality total RNA. • BPMAB-based MSPE linked RT-PCR was used in the detection of RNA of mammalian cells. In this paper, we describe the synthesis of a novel series of quinoxaline-piperazine-isoxazole conjugates. We confirmed the structures of the newly synthesised compounds using 1HNMR, Mass, and 13CNMR spectroscopic techniques. The anti-tumour activity was evaluated on two human cancer cell lines, such as MCF-7 (breast) and A-549 (lung). The anti-cancer evaluation dates show that compounds 7f, 7e , and 7 g have more promising anti-cancer activity than the standard drug Erlotinib. We tested three potent compounds (7f, 7e , and 7 g) against a normal breast cell line in a cell survivability test (MCF-10A). Interestingly, none of them killed the cancer cells significantly (IC 50 values greater than 88.91 µM). In addition, in vitro tyrosine kinase EGFR inhibitory activity has shown that compounds 7e and 7f display the highest tyrosine kinase EGFR inhibitory potency with an IC 50 value of 1.10 and 0.85 µM, respectively, compared to the reference Erlotinib with an IC 50 value of 1.24 µM. Furthermore, molecular docking analyses revealed that compounds (7f, 7e, and 7 g) exhibited a higher number of EGFR binding interactions. In this work 7f , the molecule was characterised by using density functional theory (DFT) with B3LYP/6–311G++ (d, p) basis set. The structural parameters were obtained from geometry optimization. Molecular electrostatic potential (MEP), HOMO-LUMO energy gap, and Mulliken atomic charges were calculated. The potent compounds 7f, 7e, and 7 g were subjected to in silico pharmacokinetic assessment by SWISS, ADME, and pkCSM. The three compounds (7e, 7f , and 7 g) intriguingly matched all four of the above-mentioned conditions exactly, with the exception of compound 7f's Ghose rule. [ABSTRACT FROM AUTHOR]
- Published
- 2025
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48. Up to date review on the synthesis and thermophysical properties of hybrid nanofluids.
- Author
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Gupta, Munish, Singh, Vinay, Kumar, Satish, Kumar, Sandeep, Dilbaghi, Neeraj, and Said, Zafar
- Subjects
- *
THERMOPHYSICAL properties , *NANOFLUIDS , *NANOCOMPOSITE materials , *HEAT transfer fluids , *CHEMICAL synthesis - Abstract
Research studies about nanofluids are on the rise owing to the mounting interest and demand for nanofluids as heat transfer fluids in a wide variety of applications in the recent years. This can be noticed from the number of papers published and in particular by journal special issues. To establish the field further, the purpose of this paper is threefold. First, it offers a literature review on hybrid or composite nanofluids, which are prepared either by dispersing different nanoparticles as individual constituents or by dispersing nanocomposite particles in the base fluid, taking 160 papers published from before 1995 to 2017 into account. Second, it offers a contemporary investigation on preparation and thermophysical properties of hybrid nanofluids. Lastly, this review outlines the applications and challenges associated with hybrid nanofluid; which should stimulate further research. This review also discusses several factors affecting the thermophysical properties; including types of nanoparticles, solid volume fraction, different base fluid, stability, temperature, particle size, shape, pH, sonication, and surfactants. There are many contradictory results found in the literature on the influence of effective parameters on thermophysical properties. It has been observed that the thermophysical properties are affected by the mentioned parameters. This review also reveals that proper characterization of hybrid nanofluids results in more efficient heat transfer fluids compared to single nanoparticle based nanofluid. However, more intense research is needed towards the selection of proper hybrid nanoparticles, their preparation, characterization and long-term stability to exploit their full potential as well as to overcome the barriers in applying these new fluids in industrial scale applications. Both practitioners in companies and academics might find this review useful, as it outlines significant lines of research in the field. [ABSTRACT FROM AUTHOR]
- Published
- 2018
- Full Text
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49. A universal strategy towards high-rate and ultralong-life of Li‐rich Mn‐based cathode materials.
- Author
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Fu, Wenbo, Lei, Tongxing, Cao, Bin, Shi, Xiuling, Zhang, Qi, Ding, Zhiyu, Chen, Lina, and Wu, Junwei
- Subjects
- *
CHEMICAL processes , *CHEMICAL synthesis , *CITRIC acid , *CHEMICAL reactions , *LITHIUM cells - Abstract
Lithium-rich manganese-based cathode materials (LRMs) have shown promise for the next-generation lithium battery cathodes due to their high discharge specific capacity (∼250 mAh g−1) and wide operating voltage range (2.0–4.8 V). However, these materials face limitations such as low initial Coulombic efficiency (ICE), poor cycle stability, and inadequate rate capability. To address these challenges, we employed a simple citric acid treatment (CA-treatment) method to fabricate the Li-rich spinel coating layer on LRMs. This in situ formed spinel Li 4 Mn 5 O 12 layer successfully suppresses the oxygen release, provides three-dimensional (3D) lithium-ion diffusion channels and enriches Li embedding sites, resulting in a substantial improvement in the rate capability and high-rate cycling performance. The modified LRM delivers a high specific capacity of 193.7 mAh g−1 at 2.0 C and 154.8 mAh g−1 at 5.0 C, after 1000 cycles at 10.0 C, 77.4 % capacity retention with 102.5 mAh g−1 is realized. This facile CA-treatment benefits the electrochemical properties of LRMs comparable to those of altering the microscopic morphology. This work offers a new avenue for exploring outstanding LRMs with high-rate and ultralong cycling life. This work presents the rational design and successful preparation of the lithium-rich cathode material coated with lithium-rich spinel Li 4 Mn 5 O 12 by a facile acidification treatment with citric acid. The presence of the spinel layer inhibits the release of oxygen, enhances the availability of 3D lithium diffusion channels and provides additional lithium-ion insertion sites. The combination of the spinel coating layer and the increased specific surface area synergistically enhance the rate capability and high-rate cycling performance of the cathode material. This paper also effectively reveals the reason behind the outstanding performance of the material, thereby paving the way for future advancements in designing cathode materials with high-rate and ultralong cycling life. [Display omitted] • Synthesis and chemical reaction process of Li-rich cathode material coated with Li-rich spinel Li 4 Mn 5 O 12. • The in-situ spinel-structured layer possesses 3D lithium diffusion channels and demonstrates electrochemical activity. • The spinel layer effectively stabilizes lattice oxygen evolution. • The half-cells exhibit outstanding cycling stability at high rate. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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50. Synthesis, biological evaluation, and DFT analysis of s-triazine analogues with medicinal potential integrated with bioactive heterocyclic scaffolds.
- Author
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Kumawat, Jyoti, Jain, Sonika, Patel, Saraswati, Misra, Namita, Jain, Pankaj, Hashmi, Sonia Zeba, Dwivedi, Jaya, and Kishore, Dharma
- Subjects
- *
TRIAZINE derivatives , *PIPERAZINE , *CHEMICAL synthesis , *DENSITY functional theory , *ANTI-infective agents , *SULFADIAZINE , *MALASSEZIA - Abstract
• Synthesis of s -triazine derivatives appended with medicinal potent scaffolds. • DFT studies of synthesized compounds. • Antimicrobial evaluation of synthesized compounds. • ADMET analysis. This paper introduces a series of novel s-triazine analogues (designated as compounds (14 – 26) incorporating diverse bioactive heterocyclic scaffolds such as 1-adamantylamine, sulfamerazine, sulfadiazine, morpholine, 2-amino-5-methylthiazole, n-phenylpiperazine, and n-ethyl piperazine. These analogues were meticulously incorporated due to their potential medicinal relevance. Their antimicrobial properties were evaluated against Pseudomonas chlororaphis and Malassezia furfur. Notably, compounds 20 and 26 , derived from distinct synthetic schemes, demonstrated the highest activity, with IC 50 values of 57.66±0.47 and 17.33±0.47 µg/mL, respectively, against Pseudomonas chlororaphis , and IC 50 values of 43.66±0.57 and 37.66±0.57 µg/mL, respectively, against Malassezia furfur. A comprehensive analysis utilizing Density Functional Theory (DFT) was employed to validate the experimental findings. This manuscript encapsulates the synthesis, biological assessment, and computational scrutiny of the novel s -triazine analogues, shedding light on their potential as antimicrobial agents and providing insights into their molecular characteristics. The ADMET analysis showed that the synthesized compounds had pharmacokinetic properties that are potentially suitable for clinical use. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
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