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Catechol/Pyrogallol-Modified Chitosan Composite Conductive Hydrogel as Strain Sensor for Human Movement Monitoring 儿茶酚/邻苯二酚改性壳聚糖复合导电水凝胶作为人体运动监测的应变传感器
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/001128/jcsp/44.05.2022
Bin Song Bin Song, Tao Ke Tao Ke, Chutong Shi and Haibin Gu Chutong Shi and Haibin Gu
Conductive hydrogels have great application and development value in the field of functional materials including flexible wearable devices, electronic skin and health detectors. Herein, chitosan (CS) was firstly modified with 3,4-dihydroxybenzaldehyde and 2,3,4-trihydroxybenzaldehyde, respectively, through the Schiff base reaction and NaBH3CN reduction, and the resulting products (CCS and PCS) with improved water solubility were then used as the cross-linking agents for polyvinyl alcohol (PVA) to fabricate the corresponding CCS/PVA and PCS/PVA composite hydrogels through the freezing-thawing method. AlCl3 was further introduced into the two composite systems to give the hydrogels good conductivity. As flexible strain sensors, both CCS/PVA/AlCl3 and PCS/PVA/AlCl3 hydrogels could monitor human movements such as finger bending, wrist rotation, elbow bending, foot rotation and nodding. In addition, the conductive hydrogels can also respond regularly to small facial movements such as mouth opening-closing cycle and frowning. In general, the present CCS/PVA/AlCl3 and PCS/PVA/AlCl3 conductive hydrogels are expected to have good application prospect in smart wearable devices and other functional fields.
导电水凝胶在柔性可穿戴设备、电子皮肤、健康检测仪等功能材料领域具有很大的应用和开发价值。本文首先用3,4-二羟基苯甲醛和2,3,4-三羟基苯甲醛分别进行希夫碱反应和NaBH3CN还原改性壳聚糖(CS),然后将改善水溶性的产物CCS和PCS作为聚乙烯醇(PVA)的交联剂,通过冻解冻法制备相应的CCS/PVA和PCS/PVA复合水凝胶。在两种复合体系中进一步引入AlCl3,使水凝胶具有良好的导电性。作为柔性应变传感器,CCS/PVA/AlCl3和PCS/PVA/AlCl3水凝胶都可以监测人体的动作,如手指弯曲、手腕旋转、肘部弯曲、脚旋转和点头。此外,导电水凝胶还能对小的面部动作做出有规律的反应,如张嘴闭合周期和皱眉。总的来说,目前CCS/PVA/AlCl3和PCS/PVA/AlCl3导电水凝胶有望在智能可穿戴设备等功能领域具有良好的应用前景。
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引用次数: 2
Chloride and Sulfate Resistance of Calcined Lateritic Clay-Based Geopolymer 煅烧红土粘土基地聚合物的抗氯、抗硫酸盐性能
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/000995/jcsp/44.02.2022
Usman Ghani Usman Ghani, Shah Hussain Shah Hussain, Noor ul Amin Noor ul Amin, Maria Imtiaz Maria Imtiaz, Shahid Ali Khan Shahid Ali Khan, Muhammad Naeem Muhammad Naeem
The dissemination of chloride and sulfate ions greatly affects the quality and strength of concrete obtained from cementitious materials. The current research is focused on the development of good quality geopolymer from calcined lateritic clay, sodium metasilicate, and aluminum hydroxide with optimum Si to Al ratio (by mass) and study of its resistance in aggressive environments of chloride and sulfate. Different geopolymer samples with Si to Al ratio of 3 to 1 were prepared and exposed in 8 wt.% sodium chloride and sodium sulfate solutions for 7, 14, 21, 28, and 35 days. The geopolymer sample with Si to Al ratio = 1.5 offers greater resistance in aggressive environments. The resistance of geopolymer remained better in sodium chloride solution than in sodium sulfate solution. The reduction of compressive strength of the geopolymer is 7% less in sodium chloride solution than in sodium sulphate solution. FTIR and XRD investigation proved that both chloride and sulfate do not affect the bonding and structural features of geopolymer however slight erosion of the surface morphology confirmed by SEM analysis. It can be concluded that an impure clay can be utilized to obtain a valuable product.
氯离子和硫酸盐离子的扩散对胶凝材料制成的混凝土的质量和强度影响很大。目前的研究重点是利用煅烧红土粘土、偏硅酸钠和氢氧化铝开发具有最佳硅铝比(质量比)的优质地聚合物,并研究其在氯化物和硫酸盐侵蚀环境中的耐蚀性。制备硅铝比为3:1的不同地聚合物样品,并在8%的氯化钠和硫酸钠溶液中暴露7、14、21、28和35天。硅铝比为1.5的地聚合物样品在腐蚀性环境中具有更大的电阻。地聚合物在氯化钠溶液中的耐蚀性优于硫酸钠溶液。在氯化钠溶液中,地聚合物抗压强度的降低比在硫酸钠溶液中小7%。FTIR和XRD研究表明,氯化物和硫酸盐对地聚合物的结合和结构特征没有影响,但SEM分析证实了表面形貌的轻微侵蚀。可以得出结论,利用不纯的粘土可以获得有价值的产品。
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引用次数: 1
Surfactant-Free Facile Synthesis of Nickel Oxalate Monodispersed Particles in Novel Morphologies 新形态草酸镍单分散颗粒的无表面活性剂易溶合成
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/001185/jcsp/44.06.2022
Khalida Akhtar Khalida Akhtar, Ghazala Irum and Muhammad Gul Ghazala Irum and Muhammad Gul
The surfactant or shape modifier used in the synthesis of monodispersed uniform fine particles affected the performance of the prepared powder in its applications. The present investigation is related to synthesizing colloidal uniform fine particles of nickel oxalate in novel morphologies under an optimized set of reaction conditions without using any surfactant or shape modifier. SEM results revealed that the reactant concentration significantly affected the characteristics of the precipitated solids, which ranged from gel to dispersion of discrete particles. Particles of uniform morphological features were obtained under an optimized set of experimental conditions, i.e., reactant concentration, temperature, aging time, etc. The molar ratio of the precursors affected the particle’s growth mechanism as the spherical morphology of the particles changed to a cubic shape by increasing nickel ion concentration in the recipe at 25 oC. The cubic morphology transformed into toffee shape bigger particles of a 0.5 axial ratio by increasing the reaction mediumand#39;s thermal energy. The synthesized particles were characterized by various physical techniques, which confirmed the product as the monodispersed pure NiC2O4.2H2O particles.
单分散均匀细颗粒合成中所使用的表面活性剂或形状改性剂在实际应用中会影响所制备粉体的性能。本研究是在不使用任何表面活性剂或形状改性剂的情况下,在一组优化的反应条件下合成具有新形态的草酸镍胶体均匀细颗粒。扫描电镜结果表明,反应物浓度对沉淀固体的特征有显著影响,沉淀固体的特征从凝胶状到离散颗粒的分散。在一组优化的实验条件下,即反应物浓度、温度、老化时间等,得到了形貌特征均匀的颗粒。前驱体的摩尔比影响了颗粒的生长机制,在25℃时,随着配方中镍离子浓度的增加,颗粒的球形形貌转变为立方形状。通过增加反应介质和增加热能量,使立方形态转化为轴比为0.5的太妃糖形状的大颗粒。通过各种物理技术对合成的颗粒进行了表征,证实了产物为单分散的纯NiC2O4.2H2O颗粒。
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引用次数: 0
Molecular Docking Supported Observed Changes in Anticholinesterase, Antioxidant and α-Glucosidase Inhibitions upon the Bromination of Benzene Sulfonamide 分子对接支持观察苯磺酰胺溴化后抗胆碱酯酶、抗氧化和α-葡萄糖苷酶抑制的变化
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/000975/jcsp/44.01.2022
Mater H Mahnashi Mater H Mahnashi, Bandar A Alyami Bandar A Alyami, Yahya S Alqahtani Yahya S Alqahtani, Ali O Alqarni Ali O Alqarni, Muhammad Saeed Jan Muhammad Saeed Jan, Muhammad Ayaz Muhammad Ayaz, Farhat Ullah Farhat Ullah, Umer Rashid and Abdul Sadiq Umer Rashid and Abdul Sadiq
Sulfonamide or sulfa drug is a known term used in various classes of medicines. Due to the high efficiency of sulfonamide group in various drugs candidates, it is still used as a vital moiety for the drug syntheses by the medicinal chemists. In this research, we have brominated benzenesulfonamide to get N, N-dibromobenzenesulfonamide. Furthermore, we have checked the comparative activities of both the starting sulfonamide and the brominated product. The anticholinesterase activity was determined with Ellman’s assay. α-Glucosidase inhibitory potential was determined with chromogenic assay. DPPH and ABTS free radicals were used in antioxidant assay. Both benzene sulfonamide and its brominated product showed activities in various concentrations in the in-vitro assays. The acetylcholinesterase and butyrylcholinesterase (AChE andamp; BChE) inhibitions of the brominated product were prominent, i.e., 63.98and#177;1.51% and 67.98and#177;0.07% at highest concentrations with IC50 192.89 and 120.52 and#181;g/ml respectively. The benzene sulfonamide exhibited 61.40and#177;0.21% and 63.06and#177;0.50% at highest concentrations with IC50 241.85 and 190.44 and#181;g/ml respectively. The activity of the positive control galantamine was75.72and#177;0.35% and 77.05and#177;0.13% with IC50 43.30 and 35.06 and#181;g/ml against AChE and BChE respectively. Similarly, in α-glucosidase assay, the brominated product showed excellent activity. Sulfonamide causing 74.62and#177;0.40% while brominated sulfonamide showed 78.61% enzyme inhibition at 1 milligram per milliliter showing IC50 47.70 and 122.40 microgram per milliliter respectively. The Acarbose standard drug exhibited 86.61and#177;0.43% activity with IC50 of 34.39 microgram per milliliter. In the ABTS and DPPH antioxidant assays, the synthesized dibromobenzenesulfonamide exhibited comparable results with sulfonamide i.e., 63.06and#177;0.50% and 67.37and#177;0.26% radicals scavenging at 1 milligram per milliliter having IC50 (and#181;g/ml) of 190.44 and 109.03 respectively. Binding poses were explored by the help of docking simulations. Binding affinity data confirmed the in vitro activity. Our results concluded that in anticholinesterase, α-glucosidase inhibitory and antioxidant the activity can be increased by bromination of benzene sulfonamide.
磺胺或磺胺药物是一个已知的术语,用于各种类别的药物。由于磺胺基在各种候选药物中的高效,它仍然是药物化学家合成药物的重要组成部分。本研究以溴化苯磺酰胺为原料,得到N, N-二溴苯磺酰胺。此外,我们还对起始磺胺和溴化产物的活性进行了比较。用Ellman法测定其抗胆碱酯酶活性。显色法测定α-葡萄糖苷酶抑制电位。采用DPPH和ABTS自由基进行抗氧化实验。苯磺酰胺及其溴化产物均表现出不同浓度的体外活性。乙酰胆碱酯酶和丁基胆碱酯酶(AChE和amp;溴化产物对BChE的抑制作用显著,分别为63.98和177,1.51%和67.98和177,最高浓度为0.07%,IC50分别为192.89和120.52和181;g/ml。苯磺酰胺的IC50分别为241.85 g/ml、190.44 g/ml、181 g/ml,最高浓度为61.40 g/ml、177 g/ml、0.21%、63.06 g/ml、177 g/ml、0.50%。阳性对照加兰他敏对AChE和BChE的活性分别为75.72和177、0.35%和77.05和177、0.13%,IC50分别为43.30和35.06和181 g/ml。同样,在α-葡萄糖苷酶实验中,溴化产物也表现出良好的活性。磺胺对酶的抑制率为74.62和0.40%,溴化磺胺对酶的抑制率为78.61%,IC50分别为47.70和122.40微克/毫升。阿卡波糖标准药的活性为86.61和#177;0.43%,IC50为34.39微克/毫升。在ABTS和DPPH抗氧化实验中,合成的二溴苯磺酰胺具有与磺胺相当的结果,即63.06和177;0.50%和67.37和177;0.26%的自由基清除能力,IC50(和#181;g/ml)分别为190.44和109.03。通过对接仿真探索了机器人的绑定姿态。结合亲和力数据证实了体外活性。结果表明,苯磺酰胺溴化可以提高其抗胆碱酯酶活性、α-葡萄糖苷酶抑制活性和抗氧化活性。
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引用次数: 3
Supported Ruthenium Catalysts for Oxidation of Benzyl Alcohol under Solvent Free Conditions 负载钌催化剂在无溶剂条件下氧化苯甲醇
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/001069/jcsp/44.04.2022
Raiedhah Alsaiari Raiedhah Alsaiari, Moustafa A Rizk Moustafa A Rizk, Esraa Musa Esraa Musa, Huda Alqahtani Huda Alqahtani, Fatima Alqadri Fatima Alqadri, Mervat Mohamed Mervat Mohamed, Mabkhoot Alsaiari Mabkhoot Alsaiari, Ali Alkorbi Ali Alkorbi, Iman Shedaiwa Iman Shedaiwa, Faeza Alkorbi Faeza Alkorbi
The investigation comprised an evaluation of the use of the catalyst, 1%Ru/TiO2, to oxidize Phenylmethanol into benzenecarbaldehyde. nitrogen adsorption isotherms and transmittance electron microscope (TEM) were deployed to delineate the properties of the supported catalysts. The findings indicated a superior catalytic performance from 1%Ru/TiO2 prepared using sol-immobilization method. No reaction was taken place with blank reaction or with undoped support. This was deemed to be a consequence of the dispersion and loading of Ru on the TiO2.The reaction conditions, i.e., temperature, reaction time, nature of catalyst and activating quantity, were optimized to achieve superior reaction parameters. This process gave rise to a benzyl alcohol transformation rate of up to 10%; and selectivity of benzaldehyde was 98%.
该研究包括使用1%Ru/TiO2催化剂将苯甲醇氧化成苯乙醛的评价。利用氮吸附等温线和透射电镜对负载型催化剂的性能进行了表征。结果表明,采用溶胶固定化法制备的1%Ru/TiO2具有优异的催化性能。空白反应和无掺杂支撑均不发生反应。这被认为是Ru在TiO2上分散和负载的结果。对反应温度、反应时间、催化剂性质、活化量等条件进行优化,以获得较优的反应参数。该工艺产生的苯甲醇转化率高达10%;苯甲醛的选择性为98%。
{"title":"Supported Ruthenium Catalysts for Oxidation of Benzyl Alcohol under Solvent Free Conditions","authors":"Raiedhah Alsaiari Raiedhah Alsaiari, Moustafa A Rizk Moustafa A Rizk, Esraa Musa Esraa Musa, Huda Alqahtani Huda Alqahtani, Fatima Alqadri Fatima Alqadri, Mervat Mohamed Mervat Mohamed, Mabkhoot Alsaiari Mabkhoot Alsaiari, Ali Alkorbi Ali Alkorbi, Iman Shedaiwa Iman Shedaiwa, Faeza Alkorbi Faeza Alkorbi","doi":"10.52568/001069/jcsp/44.04.2022","DOIUrl":"https://doi.org/10.52568/001069/jcsp/44.04.2022","url":null,"abstract":"The investigation comprised an evaluation of the use of the catalyst, 1%Ru/TiO2, to oxidize Phenylmethanol into benzenecarbaldehyde. nitrogen adsorption isotherms and transmittance electron microscope (TEM) were deployed to delineate the properties of the supported catalysts. The findings indicated a superior catalytic performance from 1%Ru/TiO2 prepared using sol-immobilization method. No reaction was taken place with blank reaction or with undoped support. This was deemed to be a consequence of the dispersion and loading of Ru on the TiO2.The reaction conditions, i.e., temperature, reaction time, nature of catalyst and activating quantity, were optimized to achieve superior reaction parameters. This process gave rise to a benzyl alcohol transformation rate of up to 10%; and selectivity of benzaldehyde was 98%.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70706618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
The Adsorption of Full-Fat Almarei Milk Solution Produced in Saudi Arabia on the Surface of Flavylium Cations of Anthocyanins from Grape Peel 沙特产全脂Almarei乳溶液在葡萄皮花青素黄离子表面的吸附
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/000999/jcsp/44.02.2022
Fatima A. Al-Qadri Fatima A. Al-Qadri, Raiedhah Alsaiari Raiedhah Alsaiari, Mabkhoot Alsaiari Mabkhoot Alsaiari, Iman M. Shedaiwa Iman M. Shedaiwa, Mervate M. M. Mervate M. M., Esraa M. Musa Esraa M. Musa
Almarei milk is produced in Saudi Arabia from aqueous solutions; this study investigates its adsorption behavior pertaining to three types of anthocyanin pigments that are used as natural food colorants and adsorbents. The three anthocyanin pigments were extracted from red cabbage (RC), grape peel (GP), and pomegranate peel (PP). The initial dye concentrations were 10–50 mg/L and temperature of the solution was 35 °C. For an equilibrium isotherms and kinetic data wereevaluated using the adsorption isotherms models such as Freundlich and Langmuir models. Theresults which were recorded show that the best adsorption model fit with the experimental data wasLangmuir model in contrast with the Freundlich model. Also more suitable adsorption kineticsmodel was pseudo-second order and intraparticle diffusion models than the first-order reactions. An exothermic nature was found form the results of thermodynamic adsorption for each of thermodynamic parameters like entropy (S◦), (H◦) enthalpy, and free energy (G◦).
Almarei牛奶是在沙特阿拉伯用水溶液生产的;研究了其对三种天然食用着色剂和吸附剂花青素的吸附行为。分别从红甘蓝(RC)、葡萄皮(GP)和石榴皮(PP)中提取三种花青素色素。初始染料浓度为10 ~ 50mg /L,溶液温度为35℃。利用Freundlich和Langmuir等吸附等温线模型对平衡等温线和动力学数据进行了评估。结果表明,langmuir吸附模型比Freundlich吸附模型更符合实验数据。与一级反应相比,拟二级吸附动力学模型和颗粒内扩散模型更为合适。热力学吸附的结果发现,每个热力学参数,如熵(S◦),(H◦)焓,自由能(G◦)的放热性质。
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引用次数: 0
A Novel Fabrication Approach for Improving the Efficiency of FAPbI3 Based Perovskite Solar Cells 一种提高FAPbI3基钙钛矿太阳能电池效率的新制备方法
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/001005/jcsp/44.02.2022
N. P. N Pirzada, G. B. N. G B Narejo, S. U. A. S. A. T. A. K. Q. S U A Shah and T A K Qasuria
The newly emerging perovskite solar cells (PSCs) embody excellent properties that are making them an attractive in photovoltaic (PV) technology. However, some shortcomings are impeding their commercial success. These include stability, efficiency, shelf life and operational life time. In this study, we attempted to overcome these shortcomings by exploring the fabrication by a modified spin coating approach where the dispensing of anti-solvent was optimized. Using Methyl Ammonium Formamidinium Lead Iodide as light harvester, several PSC devices were fabricated. For comparison, similar devices were also synthesized using a commonly used standard procedure. The devices were characterized for their I-V and P-V response using full sun solar simulator. Our results revealed that the fabrication approach based on optimized dispensing of anti-solvent resulted in considerable improvements in the efficiency with low production cost. In future, the approach can be adopted to overcome some of the problems associated with the current PSCs fabrication approaches.
新出现的钙钛矿太阳能电池(PSCs)具有优异的性能,使其在光伏(PV)技术中具有吸引力。然而,一些缺点阻碍了它们的商业成功。这些包括稳定性、效率、保质期和使用寿命。在本研究中,我们试图通过探索一种改进的自旋镀膜方法来克服这些缺点,该方法优化了抗溶剂的分配。以甲脒甲基铵碘化铅为光采集器,制备了几种PSC器件。为了比较,类似的装置也使用常用的标准程序合成。利用全太阳模拟器对器件的I-V和P-V响应进行了表征。研究结果表明,基于抗溶剂优化配剂的制备方法在降低生产成本的同时,大大提高了生产效率。在未来,该方法可用于克服与当前psc制造方法相关的一些问题。
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引用次数: 0
Investigation of Acrylamide Based Hydrogels as L-Dopa and L-Tyrosine Drug Release System 丙烯酰胺基水凝胶作为左旋多巴和左旋酪氨酸释放系统的研究
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/001076/jcsp/44.04.2022
dil Karaca A ar dil Karaca A ar
Acrylamide-based hydrogels exhibit significant volume migration in response to physical and chemical stimuli. These properties make their use as drug delivery systems widespread. In the study, acrylamide-based hydrogel structures were synthesized to be used as two prodrugs known as L-Dopa and L-Tyrosine carrier and release system. Fourier-transform infrared (FTIR) spectroscopy, scanning electron micrography (SEM), Image J program were used to evaluate the structure-property relationship of the synthesized hydrogels and swelling studies were performed. The maximum swelling capacity of the synthesized hydrogel structures was determined as 973.80and#177;12.25 %. The L-Dopa loading on the hydrogel was 69.51and#177;9.64% and the L-Tyrosine loading was 61.37and#177;5.08%. The release behavior of the drugs loaded on the hydrogel was monitored using a UV-vis spectrophotometer at pH 7.4 and λmax 280 nm. Accordingly, it was observed experimentally that 84.21and#177;1.71% of L-Dopa and 75.98and#177;2.69% of L-Tyrosine were released. The study is an alternative release system with the simultaneous release of L-Dopa molecule, which is especially used in the treatment of Parkinsonand#39;s disease, and L-Tyrosine, which plays an important role in the synthesis of L-Dopa.
基于丙烯酰胺的水凝胶在响应物理和化学刺激时表现出显著的体积迁移。这些特性使它们广泛用作药物输送系统。本研究合成了以丙烯酰胺为基础的水凝胶结构,作为左旋多巴和左旋酪氨酸两种前药的载体和释放系统。采用傅里叶变换红外光谱(FTIR)、扫描电镜(SEM)、Image J程序对合成的水凝胶进行了结构-性能关系评价,并进行了溶胀研究。合成的水凝胶结构的最大溶胀量分别为973.80和#177;12.25%。L-Dopa和酪氨酸的负载分别为69.51和17.79.64%和61.37和5.08%。用紫外-可见分光光度计在pH 7.4, λmax 280nm的条件下监测药物在水凝胶上的释放行为。据此,实验观察到L-Dopa的释放量为84.21和1.71%,L-Tyrosine的释放量为75.98和2.69%。该研究是一种同时释放l -多巴分子的替代释放系统,特别是用于治疗帕金森病和l -酪氨酸,在l -多巴的合成中起重要作用。
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引用次数: 0
Application of Artificial Neural Network Technique for the Production of Biotoxin 人工神经网络技术在生物毒素生产中的应用
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/001181/jcsp/44.06.2022
Farzana Bashir Farzana Bashir, Yumna Sadef Yumna Sadef, Iqra Nadeem Iqra Nadeem, Romana Shahzadi Romana Shahzadi, Rubina Nelofer and Muhammad Tariq Rubina Nelofer and Muhammad Tariq
In this study. a locally isolated strain of Bacillus thuringiensis that has insecticidal activity against dengue vector (larvae of Aedes aegypti), was cultivated. Different carbon and nitrogen sources were screened for enhanced bacterial growth. The factors affecting Bacillus thuringiensis’s biomass production like concentration of carbon, nitrogen, pH and temperature were optimized by one parameter at a time technique. The optimal levels of the selected parameters were also obtained by using an Artificial Neural Network (ANN). Peptone and molasses were selected as the best nitrogen and carbon sources respectively. The optimal levels obtained for nitrogen, carbon, pH and temperature by using the one parameter at a time technique were 1%, 0.25%, 8, and 37 ℃ respectively with 0.53 mg/mL biomass production. The ANN predicted levels were 1% for nitrogen, 0.25% for carbon, 9 pH and 31 ℃ for temperature with the predicted value of biomass being 0.85 mg/ml. The biomass produced at predicted optimum levels of variables was 0.82 mg/ml, very close to the predicted value of 0.85 mg/ml.
在这项研究中。培养了一株当地分离的苏云金芽孢杆菌菌株,该菌株对登革热病媒(埃及伊蚊幼虫)具有杀虫活性。筛选不同的碳源和氮源促进细菌生长。采用单参数优化技术,对影响苏云金芽孢杆菌生物量的碳浓度、氮浓度、pH、温度等因素进行了优化。并利用人工神经网络(ANN)对所选参数进行了优化。选择蛋白胨和糖蜜分别作为最佳氮源和碳源。采用单参数技术,获得的最佳氮、碳、pH和温度水平分别为1%、0.25%、8和37℃,生物量产量为0.53 mg/mL。人工神经网络预测氮、碳、pH、温度分别为1%、0.25%、9、31℃,生物量预测值为0.85 mg/ml。在预测的最佳变量水平下产生的生物量为0.82 mg/ml,非常接近预测值0.85 mg/ml。
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引用次数: 0
Reduction Reactions of CO2 on Rutile TiO2 (110) Nanosheet via Coordination Activation 配位活化下CO2在金红石型TiO2(110)纳米片上的还原反应
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.52568/001180/jcsp/44.06.2022
Xuemei Yang and Xiaohua Wang Xuemei Yang and Xiaohua Wang
Based on the previous coordination catalysis theory, the active site on the surface of transition metal oxides can activate the CO2 molecule. Ultrathin two-dimensional (2D) rutile TiO2 nanosheet with (110) crystal face as the main exposed surface has many active sites of Ti3+ and O vacancy, which have some synergistic effects to greatly reduce the dissociation energy of CO2. Following previous assumptions, four possible reduction processes of CO2 on rutile TiO2 (110) surface were systematically assessed by density functional theory (DFT) simulations. The reduction reactions of CO2 along I faces difficultly in proceeding due to the relatively weak interaction between CO2 and the active surface. Additionally, along III, the adsorption configuration of CO2 in the pristine state has huge distinctions with the model that suggests that the defined route is unlikely to occur on the rutile TiO2 (110) surface. However, through carefully comparing the energy differences as well as transition state searching, the reduction reaction along II has a high probability of finishing and finally generating HCOOH on the surface owing to the minimal energy differences and low activation barrier. Furthermore, the reduction reaction of CO2 to CH4 guided along IV is predicted to more easily take place with the assistance of O vacancy on the active surface. The synergistic action among Ti3+ site, O vacancy, and H+ can aid in fixing molecular CO2 by breaking the strong bond of C=O in CO2 and generating different fuels via coordination activation. This work will not only provide strong theoretical support to previous assumptions but can also lighten the routes to explore more active catalysis towards the reduction of CO2.
根据以往的配位催化理论,过渡金属氧化物表面的活性位点可以激活CO2分子。以(110)晶面为主要暴露表面的超薄二维(2D)金红石型TiO2纳米片具有许多Ti3+和O空位的活性位点,它们具有一定的协同作用,大大降低了CO2的解离能。在上述假设的基础上,通过密度泛函理论(DFT)模拟,系统评估了CO2在金红石型TiO2(110)表面的四种可能还原过程。由于CO2与活性表面的相互作用相对较弱,使得CO2沿I面的还原反应难以进行。此外,沿着III,原始状态下CO2的吸附构型与模型存在巨大差异,这表明所定义的路线不太可能发生在金红石型TiO2(110)表面。然而,通过仔细比较能量差和寻找过渡态,由于能量差最小和激活势垒低,沿着II的还原反应完成并最终在表面生成HCOOH的可能性很大。此外,预测在活性表面O空位的帮助下,沿IV引导的CO2到CH4的还原反应更容易发生。Ti3+位、O空位和H+之间的协同作用可以通过破坏CO2中C=O的强键来固定CO2分子,并通过配位活化产生不同的燃料。这项工作不仅将为之前的假设提供强有力的理论支持,而且可以为探索更活跃的CO2减排催化途径提供思路。
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Journal of the chemical society of pakistan
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