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Activated Gallic Acid as Radical and Oxygen Scavenger in Biodegradable Packaging Film 活性没食子酸在生物可降解包装膜中的自由基和氧清除作用
Pub Date : 2022-03-01 DOI: 10.2139/ssrn.3897775
Fabio Angelo Di Giuseppe, F. Coffigniez, C. Aouf, V. Guillard, E. Torrieri
A coupled experimental and modelling approach was developped to characterize the radical inhibition and oxygen scavenger properties of gallic acid/ sodium carbonate mixture included in a PHBV film. PHBV active packaging was produced by thermoforming. In contact with acqueous and fatty food simulants, almost 30% of the initial gallic acid was released into food simulants A (10% ethanol), and D1 (50% ehtanol), where it showed a radical inhibition value (I%) reaching 68±0.1% and 77±0.1% respectively, while no release was observed in food simulant D2 (isooctane). In addition, the active films displayed an O2 scanvenger capacity of 120 mg O2g-1 GA at room temperature, after 10 days of storage. Models showed a good fitting to experimental data. The PHBV active packaging combining both antiradical and oxygen scavenger activities, is very promising for food protection. However, some improvements are still needed to enhance its oxygen barrier capacity and to meet the reglementation.
采用实验和模拟相结合的方法对PHBV膜中没食子酸/碳酸钠混合物的自由基抑制和氧清除性能进行了表征。采用热成型法制备PHBV活性包装。与含水和脂肪类食物模拟剂接触时,初始没食子酸约30%被释放到食物模拟剂A(10%乙醇)和D1(50%乙醇)中,其自由基抑制值(I%)分别达到68±0.1%和77±0.1%,而在食物模拟剂D2(异辛烷)中没有释放。此外,在室温下,经过10天的储存,活性膜显示出120 mg O2g-1 GA的O2清除能力。模型与实验数据拟合较好。PHBV活性包装结合了抗自由基和除氧活性,在食品保护方面具有很好的应用前景。然而,为了提高其氧屏障能力和满足监管要求,还需要进行一些改进。
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引用次数: 9
Sustainable Development of Graphene Oxide from Pine Leaves for Electrochemical Energy Storage and Corrosion Protection 松叶氧化石墨烯电化学储能与防腐的可持续开发
Pub Date : 2022-01-01 DOI: 10.2139/ssrn.3926131
K. Singhal, S. Mehtab, M. Pandey, M. Zaidi
Present investigation demonstrates application of pine leaves as green friendly source for production of biochar (BC) that could to transformed into graphene oxide (GO) for sustained electrochemical energy storage (EES) and corrosion protection in KOH (2.0 M). For this purpose, BC was prepared through pyrolysis of pine leaves (moisture content 78.09 %) at 750 o C over 3 h in nitrogen environment. GO was synthesized through modification in Hammer’s method. Formation of BC and GO was ascertained through Fourier transform infrared, Raman and X-ray diffraction spectra. Working electrodes (WE) were fabricated from BC (WE BC ) and GO (WE GO ) in presence of hydroxy methyl propyl cellulose as binder and their morphologies were compared through scanning electron microscopy. WE were electrochemically analyzed through cyclic voltammetry (CV), electrochemical impedance spectra (EIS) and potentiodynamic polarization in KOH (2.0 M). CV @ 0.005 V/s in potential window of -0.71 V to -0.21 V reveals 390.4 F/g of Cs of WE GO that was 24.49 % improved over WE BC . EIS in frequency response (KHz) ranging 1.0 × 10 -5 Hz to 100 at ± 0.005 V reveals stability of WE over 24 h. Potentiodynamic polarization in the potential ranging -1.5 to 1.0 @ 0.005 V/s reveals corrosion rate (mm/year) of WE GO @ 4.69 × 10 -4 that was much reduced over WE BC (2.27 × 10 -3 ) under identical conditions.
本研究将松叶作为绿色环保的生物炭(BC)原料,在KOH (2.0 M)中转化为氧化石墨烯(GO),用于持续电化学储能(EES)和防腐。为此,将松叶(含水量78.09%)在氮气环境下,在750℃下热解3 h制备出氧化石墨烯(BC)。采用Hammer法进行改性合成氧化石墨烯。通过傅里叶变换红外光谱、拉曼光谱和x射线衍射光谱确定了BC和GO的形成。以羟基甲基丙基纤维素为粘结剂,以BC (WE BC)和GO (WE GO)为原料制备了工作电极(WE),并通过扫描电镜对其形貌进行了比较。通过循环伏安法(CV)、电化学阻抗谱(EIS)和KOH (2.0 M)下的动电位极化对WE进行了电化学分析。在-0.71 V至-0.21 V的电位窗口中,CV @ 0.005 V/s显示WE GO的Cs值为390.4 F/g,比WE BC提高了24.49%。在±0.005 V下,频率响应(KHz)范围为1.0 × 10 -5 Hz至100的EIS显示了WE在24小时内的稳定性。电位范围为-1.5至1.0 @ 0.005 V/s的动电位极化显示,在相同条件下,WE GO @ 4.69 × 10 -4的腐蚀速率(mm/年)比WE BC (2.27 × 10 -3)要低得多。
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引用次数: 2
Green Synthesis of Silver Nanoparticles Using Stem Bark Extract of Annona senegalensis: Characterization and Its Antibacterial Potency 番荔枝茎皮提取物绿色合成纳米银:表征及其抗菌效能
Pub Date : 2021-11-01 DOI: 10.2139/ssrn.3935549
Ojeyemi M. Olabemiwo, S. Akintelu, Aisha A. Waheed, Dasola S. Okunlola, Darasimi R. Akinwale, Gbadebo C. Adeyinka, Tomiwa W. Adeniji, Segun A. Adebisi
The green synthesis of nanoparticles has been a vital aspect in the search for novel antimicrobial agents. This research aimed at biosynthesis, characterization and preliminary evaluation of the antibacterial properties of silver nanoparticles (AgNPs) from the back extract of Annona senegalensisis. The bark of Annona senegalensis was scraped from the stem, washed, air-dried, pulverised and extracted. Fourier transform infrared (FTIR) analysis was carried out on the synthesized AgNPs. The AgNPs synthesized was also characterized with UV-visible spectrophotometer (UV), scanning electron microscope, transmission electron microscopy, energy-dispersive X-ray spectroscopy to ascertain the physico-chemical and morphological properties of the AgNPs. The antimicrobial investigation was carried out following standard method. The observation of colour change (pale yellow to dark brown) during the synthesis and maximum absorbance at wavelength 431.19nm in the UV spectrum confirmed the formation of AgNPs. The FTIR analysis showed that the biomolecules responsible for the reduction of silver ion contain O-H functional groups. The electron microscopy studies indicated that the AgNPS are spherical in shape with nanoparticles sizes of 11- 24.76nm. EDX analysis showed that the AgNPs contain high amount of silver and few other elements. The antimicrobial study showed high zones of inhibition 22.75-33.75 against tested bacteria. The simplicity of the synthesis of AgNPs from the extract of the stem bark of Annona senegalensis is and relatively high zones of inhibitions shown by the AgNPs are strong evidences of the possible application of Annona senegalensis is in the synthesis of novel therapeutic agent against infections from bacteria and fungi.
纳米颗粒的绿色合成已经成为寻找新型抗菌剂的一个重要方面。本研究旨在生物合成、表征和初步评价番槐背提取物制备的银纳米颗粒(AgNPs)抗菌性能。从番荔枝的茎上刮下树皮,清洗,风干,粉碎并提取。对合成的AgNPs进行了傅里叶红外(FTIR)分析。利用紫外可见分光光度计、扫描电镜、透射电镜、能量色散x射线能谱等对合成的AgNPs进行了表征,确定了AgNPs的理化性质和形态特征。采用标准方法进行抗菌试验。在合成过程中观察到颜色变化(淡黄色到深棕色)和紫外光谱中431.19nm处的最大吸光度证实了AgNPs的形成。红外光谱分析表明,参与还原银离子的生物分子中含有O-H官能团。电镜研究表明,AgNPS为球形,纳米颗粒尺寸为11 ~ 24.76nm。EDX分析表明,AgNPs含有大量的银和少量的其他元素。抑菌实验结果表明,对所试细菌的抑制范围为22.75 ~ 33.75。从南樟茎皮提取物中合成AgNPs的简单性以及AgNPs所显示的较高抑制区,有力地证明了南樟在合成抗细菌和真菌感染的新型治疗剂方面的可能应用。
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引用次数: 10
Novel 3D Flower Like ZnO/MnV 2O 6 Heterojunction as an Efficient Adsorbent for the Removal of Imidacloprid and Photocatalyst for Degradation of Organic Dyes in Waste Water 新型三维花状ZnO/MnV 2O异质结对吡虫啉的高效吸附及废水中有机染料降解的光催化剂研究
Pub Date : 2021-03-19 DOI: 10.1016/J.POLY.2021.115161
S. Kaushal, Parul Kurichh, K. Kaur, P. Singh
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引用次数: 24
A 2D Porous Pb-MOF Based on 2-Nitroimidazole: CO 2 Adsorption, Electronic Structure and Luminescence 基于2-硝基咪唑的二维多孔Pb-MOF: CO 2吸附、电子结构和发光
Pub Date : 2021-03-03 DOI: 10.21203/RS.3.RS-258541/V1
Xiu-Yuan Li, Ying-Bo Wang, Song Yan, Xiang Dan, Chaozheng He
A new porous metal-organic framework, [Pb5(Ac)7(nIm)3]n (1), has been successfully synthesized by employing 2-nitroimidazole ligand and Pb2+ ion. 1 contains novel the ribbon-shaped Pb-O SBU and reveals a 2D porous framework with a 1D tubular channel. Moreover, 1 shows moderate adsorption uptake towards CO2 and luminescence properties from intraligand charge transfer. We further confirmed nitro group and metal ion are important adsorption sites by GCMC simulations, and the electronic structures of 1 was investigated.
采用2-硝基咪唑配体和Pb2+离子成功合成了新型多孔金属有机骨架[Pb5(Ac)7(nIm)3]n(1)。1包含新颖的带状Pb-O SBU,并揭示了具有一维管状通道的二维多孔框架。此外,1对CO2表现出适度的吸附吸收和配体内电荷转移的发光特性。我们通过GCMC模拟进一步证实了硝基和金属离子是重要的吸附位点,并对1的电子结构进行了研究。
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引用次数: 1
Ring Opening of Epoxides and Aziridines with Benzotriazoles Using Magnetically Retrievable Graphene Based (CoFe@rGO) Nanohybrid 磁性可回收石墨烯基(CoFe@rGO)纳米杂化物对环氧化物和叠氮醚与苯并三唑开环的影响
Pub Date : 2021-02-01 DOI: 10.2139/SSRN.3775834
A. Sheoran, J. Kaur, J. Agarwal, S. Singhal
Reduced Graphene oxide (rGO) behaves as an excellent heterogeneous catalyst because of its remarkable characteristics such as large specific surface area and high thermal stability. In this regards, Graphene oxide was converted to magnetic nanohybrid (CoFe@rGO) and utilized as an efficient heterogeneous catalyst for the ring opening reactions and act as Lewis acid to promote the reaction. Developed a new facile, environmentally benign and green methodology for the synthesis of β-hydroxytriazoles and β- N -tosylsulfonamidetriazoles derivatives via ring opening reaction of epoxides and aziridines respectively in the presence of CoFe@rGO nanohybrid as catalyst in good to excellent yields under solvent free reaction conditions. Catalyst was separated from the reaction mixture by an external magnet, recycled and reused up to six catalytic runs without significant loss of catalytic activity. Environmentally benign conditions, cheap starting materials, shorter reaction times, easy work-up and purification of the products, high regioselectivity, high yields, recyclability and reusability of catalyst are the main advantages of our protocol.
还原氧化石墨烯(rGO)具有比表面积大、热稳定性高等特点,是一种优良的非均相催化剂。为此,将氧化石墨烯转化为磁性纳米杂化物(CoFe@rGO),作为开环反应的高效非均相催化剂,并作为Lewis酸促进反应。在无溶剂条件下,以CoFe@rGO纳米杂化物为催化剂,通过环氧化合物开环反应合成β-羟基三唑衍生物和β- N -甲基磺酰胺三唑衍生物,获得了一种简便、环保、绿色的新方法。催化剂通过外部磁铁从反应混合物中分离出来,回收和重复使用多达六次催化运行,而没有明显的催化活性损失。环境友好的条件,廉价的起始材料,较短的反应时间,易于加工和纯化的产品,高区域选择性,高收率,催化剂的可回收性和可重复使用是我们的方案的主要优点。
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引用次数: 0
A New Phenolato-Bridged Dinuclear Manganese(II) Complex as a Turn-On Fluorosensor for Zn 2+ Ions Via Mn 2+ Ion Replacement 一种新的酚醛桥接双核锰配合物通过锰离子置换作为zn2 +离子的开启荧光传感器
Pub Date : 2021-01-11 DOI: 10.1016/J.POLY.2021.115226
Sujaya Chakraborty, Ayan K. Patra, Asit Mondal, Somenath Lohar, E. Zangrando, P. Chattopadhyay
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引用次数: 0
First Principle Theoretical Designing of U-Shaped Fullerene-Free Acceptor Molecules for Efficient Indoor and Outdoor Organic Solar Cell Applications 用于高效室内和室外有机太阳能电池的u型无富勒烯受体分子的第一性原理理论设计
Pub Date : 2021-01-01 DOI: 10.2139/ssrn.3783159
M. Mehboob, Riaz Hussain, Zobia Irshad, Muhammad Adnan
An efficient molecular modelling approaches drawing a great attention from the scientific community to further boost the photovoltaic performances of the solar cell’s materials. For this purpose, various end-capped and bridged-core modifications have been carried-out to construct a suitable molecule best fitted for solar cell applications. Herein, we have designed a small-molecule based fullerene-free acceptor materials (IOD1-IOD7) for organic solar cells (OSCs) by doing end-capped modifications, and characterized them theoretically by employing various quantum chemical density functional theory (DFT) and time-dependent (DFT) approaches. The specific key features of the designed materials (IOD1-IOD7) essential for the solar cell applications have been estimated by investigating their absorption maxima, reorganization energy and open-circuit voltages (Voc) values.  The other key parameters such as, electronic structures, frontier molecular orbitals, exciton binding energy, and charge transfer phenomenon has also been studied theoretically. The outcomes of these theoretical characterizations revealed that all the newly designed non-fullerene acceptor materials exhibit a wide-ranging absorption efficiency and exciton dissociation constant values, with quite lower LUMO energy level, ensuring a boost in various photo-physical and in opto-electronic properties of the designed materials, which will eventually improve the power conversion efficiency (PCE) of the OSCs devices.
一种高效的分子建模方法引起了科学界的极大关注,以进一步提高太阳能电池材料的光伏性能。为此,已经进行了各种端盖和桥核修饰,以构建最适合太阳能电池应用的合适分子。在此,我们通过端帽修饰设计了一种基于小分子的有机太阳能电池(OSCs)无富勒烯受体材料(IOD1-IOD7),并利用各种量子化学密度泛函理论(DFT)和时间依赖(DFT)方法对其进行了理论表征。通过研究其吸收最大值、重组能和开路电压(Voc)值,估计了所设计材料(IOD1-IOD7)在太阳能电池应用中所必需的具体关键特性。其他关键参数如电子结构、前沿分子轨道、激子结合能、电荷转移现象等也进行了理论研究。这些理论表征结果表明,所有新设计的非富勒烯受体材料具有广泛的吸收效率和激子解离常数值,具有相当低的LUMO能级,确保了所设计材料的各种光物理和光电性能的提高,最终将提高OSCs器件的功率转换效率(PCE)。
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引用次数: 0
Antimicrobial and Antiproliferative Activities of New Benzimidazole-Bridged Aren Ruthenium Rectangles in Human Breast Cancer Cells 新型苯并咪唑桥接Aren钌矩形在人乳腺癌细胞中的抗菌和抗增殖活性
Pub Date : 2021-01-01 DOI: 10.2139/ssrn.3770116
Ersin Orhan, Görkem Dülger, M. Alpay, Nilüfer Öksüz, B. Dülger
Some novel the benzimidazole-bridged aren ruthenium rectangles compounds of the general structure [{Ru2(p-cymene)2(µ4-OOᴖOO)}2(µ4-bbim)]4+ (bbim = 1,1'-butyl-2-ene-di(benzimidazole) were obtained from the corresponding double nuclear arene ruthenium compounds [Ru2(p-cymene)2(µ4-OOᴖOO)Cl2] (OOᴖOO = 2,5-dioxido-1,4-benzoquinonato (dobq),  2,5-dichloro-1,4-benzoquinonato (dClbq),  2,5-dibromo-1,4-benzoquinonato (dBrbq), oxalato (oxa), 5,8-dioxido-1,4-naphtoquinonato (donq) by reaction with the bbim molecule and AgCF3SO3. The antiproliferative activity of the tetranuclear arene ruthenium compounds was evaluated on their anti-cancer properties against human breast cancer cell line (MDA-231-MB), compound 2 showed the highest antiproliferative effect among the other compounds during 24 and 48 hours administration. Also, other all compounds showed very good cancer cell selectivity and very low micromolar cytotoxicities. In addition, antimicrobial activities of the synthesized compounds were determined. Against ten bacteria (such as Escherichia coli ATCC10536, Staphylococcus aureus ATCC 6538P, Staphylococcus epidermidis ATCC 12228, Klebsiella pneumoniae UC57, Proteus vulgaris ATCC 8427, Pseudomonas aureginosa ATCC 27853, Enterococcus faecalis ATCC 29212, Citrobacter freundii ATCC 8090, Mycobacterium smagmatis CCM 2067 and Listeria monocytogenes ATCC 15313) and seven yeast cultures (such as Candida glabrata ATCC 90030, Candida tropicalis ATCC 13803, Candida albicans ATCC 10231, Kluyveromyces fragilis NRRL 2415, Rhodotorula rubra DSM 70403, Debaryomyces hanseni DSM 70238, Hanseniaspora guillermondii DSM 3432). Using the disk diffusion method as well as the minimal inhibitory concentration (MIC) dilution method. Especially, the compounds exhibit potential antibacterial effects against Gram negative bacteria than Gram positive bacteria and showed superior antifungal effect agaist candida species.  The results revealed that the benzimidazole-bridged aren ruthenium rectangles compounds were the very strong potent inhibitor.
从相应的双核芳烃钌化合物[Ru2(对花香烃)2(µ4-OOᴖOO)}2(µ4-bbim)] (OOᴖOO = 2,5-二氧基-1,4-苯并喹啉(dobq), 2,5-二氯-1,4-苯并喹啉(dClbq), 2,5-二溴-1,4-苯并喹啉(dBrbq), 2,5-二溴-1,4-苯并喹啉(dBrbq),草酸(oxa),5,8-二氧基-1,4-萘醌(donq)与bbim分子和AgCF3SO3反应。四核芳烃钌化合物对人乳腺癌细胞株(MDA-231-MB)的抗增殖活性进行了评价,化合物2在给药24和48 h时的抗增殖作用最强。此外,其他化合物均表现出良好的癌细胞选择性和极低的微摩尔细胞毒性。并对合成的化合物进行了抑菌活性测定。抗10种细菌(如大肠杆菌ATCC10536、金黄色葡萄球菌ATCC 6538P、表皮葡萄球菌ATCC 12228、肺炎克雷伯菌UC57、普通变形杆菌ATCC 8427、金黄色假单胞菌ATCC 27853、粪肠球菌ATCC 29212、弗氏柠檬酸杆菌ATCC 8090、污物分枝杆菌CCM 2067和单核细胞增生李斯特菌ATCC 15313)和7种酵母培养物(如光秃假丝酵母ATCC 90030、热带假丝酵母ATCC 13803、白色假丝酵母ATCC 10231、脆弱克卢维菌属nrrl2415,红红酵母属DSM 70403,汉氏德巴雷菌属DSM 70238,吉勒蒙氏汉氏菌属DSM 3432)。采用纸片扩散法和最低抑菌浓度(MIC)稀释法。特别是,化合物对革兰氏阴性菌的抑菌作用优于革兰氏阳性菌,对念珠菌的抑菌作用更强。结果表明,苯并咪唑桥接的钌矩形化合物是非常强效的缓蚀剂。
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引用次数: 0
Gold(I)-MIC Complexes as a Highly Effective Catalyst for the Cyanosilylation of Carbonyl Compounds Under Solvent-Free Condition 金(I)-MIC配合物在无溶剂条件下作为羰基化合物氰硅化反应的高效催化剂
Pub Date : 2021-01-01 DOI: 10.2139/ssrn.3761020
M. Gangwar
Herein, we report the gold(I)-MIC complexes (1-3), bearing mesoionic carbene (MIC) ligands were synthesized. The catalytic activities of these gold(I)-MIC complexes were found to be highly effective catalysts for cyanosilylation of various aldehydes under solvent-free conditions using TMSCN (trimethylsilyl cyanide). The cyano group transfer from TMSCN to aldehydes proceeds at room temperature in the presence of only 5 mol % of Au(I)-MIC catalysts (1-3), to produce value-added cyanohydrin trimethylsilyl ethers in very good to excellent yields within 6 h, from various aldehydes through cyanosilylation process by using trimethylsilyl cyanide reagent at room temperature under solvent-free condition. These reaction conditions are extremely mild and simple and tolerate various functional groups.
本文合成了含介离子碳烯(MIC)配体的金(I)-MIC配合物(1-3)。这些金(I)-MIC配合物的催化活性被发现是在无溶剂条件下用TMSCN(三甲基硅基氰化物)催化多种醛的氰硅基化反应的高效催化剂。在室温下,只有5 mol % Au(I)-MIC催化剂(1-3)的存在下,氰基从TMSCN转移到醛类(1-3),在6 h内,用三甲基硅氰试剂在室温下无溶剂条件下,从各种醛类经过氰基硅化反应,以极好的收率生产增值氰基丙烷三甲基硅醚。这些反应条件极其温和简单,可耐受各种官能团。
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引用次数: 0
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Organic Chemistry eJournal
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