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Empirical determination of the pressure-volume-temperature-entropy equation of state of polyethylene in isothermal, isobaric and isochoric ensembles: IV. The modified intrinsic equation of state for the various ensembles 聚乙烯在等温、等压和等时系综中的压力-体积-温度-熵状态方程的经验测定:IV.各种系综的修正本征状态方程
Pub Date : 2023-11-02 DOI: 10.1080/00222348.2023.2278922
Susumu Saeki
ABSTRACT:The intrinsic equations of state for the isothermal, isobaric, isochoric and isoentropic ensembles based on the pressure-volume-temperature-entropy equations of state, P-V-T-S Eos, of polyethylene (PE) reported in our previous works were modified by taking into account a thermodynamic condition at a zero Kelvin limit, such as the entropy and heat capacity are zero at 0 K. The thermodynamic interrelations between the derivatives in the various ensembles were derived from the intrinsic equation of state in the various ensembles, in which a typical interrelation, (∂CV∂V)T=T(∂2P∂T2)V, was considered. The three dimensional plots (3D plot) indicating the interrelation, such as the 3D( TV,V,(∂CV∂V)T) and the 3D(TV,V,T(∂2P∂T2)V) plots, were determined based on the modified intrinsic equation of state and compared to examine the accuracy of the intrinsic equations of state where CV is the isochoric heat capacity and the subscripts T and V mean the isothermal and isochoric ensembles, respectively.Keywords: Intrinsic equation of stateisothermalisobaricisochoricisoentropicthermodynamic derivativesDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also.
摘要:在前人报道的聚乙烯(PE)压力-体积-温度-熵状态方程P-V-T-S Eos的基础上,对等温、等压、等时和等熵系综的本征状态方程进行了修正,考虑了零开尔文极限下的热力学条件,如0 K时熵和热容为零。从各系内状态方程出发,推导了各系内导数之间的热力学相互关系,其中考虑了典型的相互关系(∂CV∂V)T=T(∂2P∂T2)V。基于改进的本征状态方程,确定了3D(TV,V,(∂CV∂V)T)和3D(TV,V,T(∂2P∂T2)V)图等三维图(3D图),并比较了本征状态方程的准确性,其中CV为等时热容,下标T和V分别表示等温和等时系。关键词:状态本征方程、热、等重、等氯、等熵、热力学导数免责声明作为对作者和研究人员的服务,我们提供此版本的已接受稿件(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。
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引用次数: 0
Preparation and properties of phenolic epoxy modified silicone resin 酚醛环氧改性有机硅树脂的制备及性能研究
Pub Date : 2023-11-02 DOI: 10.1080/00222348.2023.2278917
Sige Huang, Zongyi Deng, Yunfei Lv, He Ding, Xiaofan Liu, Yanling Dong, Zhixiong Huang
AbstractPhenolic epoxy resin (F51) was first reacted with silane coupling agent (3-aminopropyl)triethoxysilane (KH550) to form a silanized phenolic epoxy resin (SPER); then the SPER was copolymerized with methylphenyl silicone resin (MPS) to synthesize phenolic epoxy modified silicone copolymer (PEMSC). The chemical structure of the PEMSC was characterized by FT-IR. The results of tensile strength and shear strength measurements indicated that the successful introduction of F51 significantly improved the mechanical and adhesive properties of the PEMSC; compared with the PEMSC with 10 phr of F51 added, the tensile strength and shear strength of the PEMSC with 40 phr increased by 8.5 and 3.5 times respectively. The TGA and DTGA analysis showed that the initial thermal decomposition temperature and the residual weight of PEMSC at 800 °C decreased compared to MPS, but the temperature corresponding to the maximum thermal decomposition rate in the second stage increased. Qualitative analysis was conducted on the decomposition products of PEMSC using gas chromatography coupled with mass spectrometry (GC-MS). The results showed that the relative content of aromatic hydrocarbons and their derivatives in the decomposition products of PEMSC was 64.11%, and the relative content of cyclic trimers and higher cyclomers was 20.41%.Keywords: Phenolic epoxyMethylphenyl siliconeTensile strengthShear strengthThermal propertiesDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also.
摘要酚醛环氧树脂(F51)首先与硅烷偶联剂(3-氨基丙基)三乙氧基硅烷(KH550)反应生成硅烷化酚醛环氧树脂(SPER);然后将SPER与甲基苯基有机硅树脂(MPS)共聚合成酚醛环氧改性有机硅共聚物(PEMSC)。用FT-IR表征了PEMSC的化学结构。拉伸强度和剪切强度测试结果表明,F51的成功引入显著改善了PEMSC的力学性能和粘接性能;与添加10 phr F51的PEMSC相比,添加40 phr的PEMSC的抗拉强度和抗剪强度分别提高了8.5倍和3.5倍。TGA和DTGA分析表明,与MPS相比,PEMSC在800℃时的初始热分解温度和残重降低,但第二阶段最大热分解速率对应的温度升高。采用气相色谱-质谱联用技术对PEMSC的分解产物进行定性分析。结果表明,PEMSC分解产物中芳香烃及其衍生物的相对含量为64.11%,环三聚体和高环聚体的相对含量为20.41%。关键词:酚醛环氧甲基苯基硅拉伸强度剪切强度热性能免责声明作为对作者和研究人员的服务,我们提供这个版本的接受手稿(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。
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引用次数: 0
Thermal stability, flame retardancy and flame retardant mechanisms of hollow glass microspheres/montmorillonite/epoxy sheet molding compound composites 中空玻璃微珠/蒙脱土/环氧板成型复合材料的热稳定性、阻燃性及阻燃机理
Pub Date : 2023-11-01 DOI: 10.1080/00222348.2023.2278311
Zhixiong Huang, Guoqin Jiang, Linxuan Li, Yue Wu, Jialuo Wu, Zongyi Deng
AbstractEpoxy sheet molding compound (ESMC) composites have excellent mechanical properties, dimensional stability and electrical insulation, and are widely used in the automotive industry. In our previous work silane coupling agent modified, hollow glass microspheres (SiHGM) and montmorillonite (MMT) were incorporated to enhance the mechanical properties of the ESMC composites. It was found that the ESMC composites containing MMT (EP/SiHGM/MMT-1) exhibited excellent mechanical strength. However, the flammability of the epoxy resin (EP) limits the use of ESMC composites for applications that require good flame retardancy. In this paper we describe our research in which MMT was used to increase the flame retardancy of ESMC composites. The results showed that the addition of MMT made the ESMC composites have excellent flame retardancy. The limiting oxygen index (LOI) of the ESMC composites containing 1 phr MMT (EP/SiHGM/MMT-1) was 26.8%, which was 8.94% higher than that of the ESMC composites without MMT (EP/SiHGM/MMT-0). In addition, the peak heat release rate (PHRR), average heat release rate (AHRR) and total heat release (THR) of the EP/SiHGM/MMT-1 were 322.8 kW/m2, 95.3 kW/m2 and 38.6 MJ/m2, respectively, which were 22.6%, 8.2% and 8.0% lower than those of EP/SiHGM/MMT-0. The carbon monoxide production (COP) and carbon dioxide production (CO2P) of EP/SiHGM/MMT-1 were 0.0092 g/s and 0.2071 g/s, respectively, which were 34.3% and 22.8% lower than those of EP/SiHGM/MMT-0. The fire growth index (FGI) of EP/SiHGM/MMT-1 was 2.4, which was a decrease by 29.4% compared to EP/SiHGM/MMT-0. In addition, the flame retardant mechanisms were revealed. We suggest that MMT promoted dehydration and charring of the epoxy resin and helped construct an intact physical barrier, which had good blocking effects. The prepared composite has great application prospects for those occasions that require high flame retardancy. Thus, this work provides an innovative strategy for preparing low density epoxy composites with excellent flame retardancy and high mechanical properties.Keywords: MontmorilloniteEpoxy sheet molding compoundFlame retardancyBlocking effectsEvolved gas analysisFlame retardant mechanismsDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also.
摘要环氧板材成型复合材料(ESMC)具有优异的力学性能、尺寸稳定性和电绝缘性,在汽车工业中得到了广泛的应用。在我们之前的工作中,我们加入了硅烷偶联剂改性,中空玻璃微球(SiHGM)和蒙脱土(MMT)来提高ESMC复合材料的力学性能。结果表明,含MMT的ESMC复合材料(EP/SiHGM/MMT-1)具有优异的机械强度。然而,环氧树脂(EP)的可燃性限制了ESMC复合材料在需要良好阻燃性的应用中的使用。本文介绍了用MMT提高ESMC复合材料阻燃性的研究。结果表明,MMT的加入使ESMC复合材料具有优异的阻燃性能。含1 phr MMT (EP/SiHGM/MMT-1)的ESMC复合材料的极限氧指数(LOI)为26.8%,比不含MMT (EP/SiHGM/MMT-0)的ESMC复合材料的极限氧指数(LOI)高8.94%。EP/SiHGM/MMT-1的峰值放热率(PHRR)、平均放热率(AHRR)和总放热率(THR)分别为322.8 kW/m2、95.3 kW/m2和38.6 MJ/m2,分别比EP/SiHGM/MMT-0低22.6%、8.2%和8.0%。EP/SiHGM/MMT-1的一氧化碳产率(COP)和二氧化碳产率(CO2P)分别为0.0092 g/s和0.2071 g/s,分别比EP/SiHGM/MMT-0低34.3%和22.8%。EP/SiHGM/MMT-1的火灾生长指数(FGI)为2.4,比EP/SiHGM/MMT-0降低了29.4%。此外,还揭示了阻燃机理。我们认为MMT促进了环氧树脂的脱水和炭化,并有助于构建完整的物理屏障,具有良好的阻隔效果。所制备的复合材料在对阻燃性要求较高的场合具有很大的应用前景。因此,这项工作为制备具有优异阻燃性和高机械性能的低密度环氧复合材料提供了一种创新的策略。关键词:蒙脱石环氧板成型化合物;阻燃性;阻滞效应;进化气体分析;阻燃机理;免责声明:作为对作者和研究人员的服务,我们提供这个版本的接受稿件(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。
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引用次数: 0
A Short Appraisal of Biological Macromolecules as Tethering Excipients for Improved Drug Delivery: Current Advances 生物大分子作为栓系赋形剂改善药物传递的简要评价:最新进展
Pub Date : 2023-10-26 DOI: 10.1080/00222348.2023.2274668
Dilpreet Singh
ABSTRACTBiological macromolecules, encompassing proteins, nucleic acids, lipids, and carbohydrates, have garnered increasing attention as tethering excipients within the realms of pharmaceuticals and biotechnology. This concise appraisal offers a comprehensive overview of their multifaceted role, highlighting the latest advancements in their applications. Biological macromolecules, long regarded as fundamental components of life, have transitioned into pivotal agents that contribute significantly to drug development, drug formulation stability and the optimization of pharmacokinetic profiles. This review delineates how these macromolecules serve as integral players in the enhancement of drug delivery systems, enabling controlled release, targeted delivery, and improved bioavailability. Furthermore, they play a critical role in the stabilization of sensitive compounds, preserving their efficacy and extending their shelf life. Additionally, the interactions between macromolecules and therapeutic agents are pivotal in mitigating issues of solubility and bioavailability, further propelling their utility as excipients. Despite these promising attributes, challenges such as immunogenicity, scalability, and regulatory compliance persist. Navigating these hurdles necessitates a concerted effort from researchers, engineers, and regulatory bodies alike. In conclusion, biological macromolecules stand as formidable contenders in the field of tethering excipients. Their versatile applications in drug delivery, formulation stability, and pharmacokinetic enhancement hold the promise of revolutionizing the pharmaceutical and biotechnological landscapes. To realize this potential fully, the scientific community must continue to probe their intricacies, address challenges proactively, and foster collaborative efforts to ensure their seamless integration into the future of healthcare and therapeutics. Ultimately, the enduring impact of biological macromolecules on patient care is poised to be transformative and far-reaching.Keywords: Biological macromoleculestetheringtargetingtherapeuticsexcipientsDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also.
摘要生物大分子,包括蛋白质、核酸、脂质和碳水化合物,在制药和生物技术领域中作为系带赋形剂越来越受到关注。这个简明的评价提供了一个全面的概述,他们多方面的作用,突出在其应用的最新进展。生物大分子,长期以来被认为是生命的基本组成部分,已经转变为对药物开发,药物配方稳定性和药代动力学谱优化做出重大贡献的关键制剂。这篇综述描述了这些大分子如何在增强药物传递系统中发挥不可或缺的作用,实现控制释放、靶向传递和提高生物利用度。此外,它们在稳定敏感化合物、保持其功效和延长其保质期方面发挥着关键作用。此外,大分子与治疗剂之间的相互作用对于缓解溶解度和生物利用度问题至关重要,进一步推动了它们作为赋形剂的效用。尽管有这些有希望的特性,但诸如免疫原性、可扩展性和法规遵从性等挑战仍然存在。克服这些障碍需要研究人员、工程师和监管机构的共同努力。综上所述,生物大分子在捆绑赋形剂领域是强有力的竞争者。它们在药物输送、配方稳定性和药代动力学增强方面的广泛应用有望彻底改变制药和生物技术领域。为了充分实现这一潜力,科学界必须继续探索它们的复杂性,积极应对挑战,并促进合作努力,以确保它们与未来的医疗保健和治疗学无缝整合。最终,生物大分子对患者护理的持久影响将是革命性的和深远的。关键词:生物大分子;靶向治疗;受体;免责声明作为对作者和研究人员的服务,我们提供此版本的已接受稿件(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。
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引用次数: 0
Preparation and Properties of Immiscible Poly(lactic acid)/Ethyl Cellulose Bioplastic Blends with Good Transparency and Optical Control by Drawing 具有良好透明性和拉拔光控的聚乳酸/乙基纤维素非混相生物塑料的制备及性能
Pub Date : 2023-10-24 DOI: 10.1080/00222348.2023.2271808
Noboru Osaka
AbstractIn this study we prepared a poly(lactic acid)/ethyl cellulose (PLA/EC) bioplastic blend film by melt pressing after solvent casting and investigated the optical, thermal, and mechanical properties in relation to the structural changes revealed by various microscopies and scattering measurements. Despite the immiscibility of PLA and EC, the blend film exhibited good optical transparency due to the close match in their refractive indices. A second run of differential scanning calorimetry during heating revealed a decrease in the glass transition temperature ( TgPLA) and melting point ( TmPLA) of PLA with EC although EC had the higher values. Thermomechanical analysis suggested that these decreases were due to the negative pressure generated due to the suppression of PLA shrinkage below TgEC and above TgPLA during cooling. Furthermore, ductile drawing of the blend film (70/30) at an optimal temperature of 70 °C above TgPLA resulted in a uniform whitening near 100 % strain. Delamination at the interface between the PLA matrix and EC domain led to the formation of micrometer-sized oriented voids, which enhanced the refractive index difference in the phase-separated structure, thereby scattering light and achieving the uniform and oriented white blend film.Keywords: Poly(lactic acid)Ethyl celluloseImmiscible bioplastic blendOptical transparencynegative pressureDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also.
摘要:本研究采用熔融压制法制备了聚乳酸/乙基纤维素(PLA/EC)生物塑料共混膜,并通过各种显微镜和散射测量研究了其光学、热学和力学性能与结构变化的关系。尽管PLA和EC具有非混溶性,但由于其折射率的密切匹配,共混膜具有良好的光学透明性。在加热过程中进行的第二次差示扫描量热分析显示,尽管EC的玻璃化转变温度(TgPLA)和熔点(TmPLA)较高,但EC降低了PLA的玻璃化转变温度(TgPLA)和熔点(TmPLA)。热力学分析表明,这些减少是由于在冷却过程中,在TgEC以下和TgPLA以上的PLA收缩受到抑制而产生的负压。此外,在TgPLA以上70°C的最佳温度下,共混膜(70/30)的延展性拉伸可以获得接近100%应变的均匀白化。PLA基体与EC畴界面处的分层导致微米级取向空洞的形成,增强了相分离结构的折射率差,从而散射光,获得均匀定向的白色共混膜。关键词:聚(乳酸)乙基纤维素;不混溶生物塑料混合物;光学透明度;负压免责声明作为对作者和研究人员的服务,我们提供这个版本的接受稿件(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。
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引用次数: 0
The micro-capacitance enhancement of polyionic liquids grafted onto carbon nanotubes on the piezoelectric properties of poly(vinylidene fluoride) films and their sensor applications 碳纳米管接枝聚离子液体对聚偏氟乙烯薄膜压电性能的微电容增强及其传感器应用
Pub Date : 2023-10-22 DOI: 10.1080/00222348.2023.2271737
Suyue Li, Shiting Wang, Wenzhong Ma, Haicun Yang, Zheng Cao, Chunlin Liu, Haimu Ye
ABSTRACTThe increased micro-capacitance of a poly (vinylidene fluoride) (PVDF) matrix can effectively improve the piezoelectric properties of the composite material. This work used chemically modified carbon nanotubes (CNTs) as the main reinforcement material. Atom transfer radical polymerization (ATRP) was used to graft polyionic liquids (PILs) with different hydrophilic anions to the CNTs’ surfaces. Solution casting and compressive melt molding were used to prepare the PVDF-composite piezoelectric films. Micro-capacitance formed by the PIL grafted CNTs dispersed well in the PVDF matrix, and their effects on the crystalline form and piezoelectric properties were studied. The hydrophobic hexafluorophosphate anion (-PF6-) can significantly improve the CNTs dispersion and enhance the micro-capacitance formation in the PVDF matrix. During solution crystallization, the synergistic effect of CNTs and PIL on the PVDF and the solvent effect made the content of β phase of PVDF/CNTs@PIL-PF6 film reach 80.2%, resulting in a high dielectric constant of 188 and a piezoelectric coefficient of 36. In the process of melt crystallization, due to shear stretching and extrusion, the CNTs@PIL-PF6 had an obvious nucleation effect on the polar crystalline phase of PVDF, with a β phase content up to 99.3%, leading to the higher dielectric constant of 530 and the piezoelectric coefficient of 31. The current discovery provides a development direction for smart piezoelectric polymer matrix composites, which have great potential in preparing piezoelectric energy storage materials.KEYWORDS: poly(vinylidene fluoride)carbon nanotubespolyionic liquidpiezoelectricitydielectric propertiespolar phaseDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also. AcknowledgmentThis research was supported by the National Natural Science Foundation of China (21406017), Changzhou Science and Technology Support Plan (Social Development)(CZ20230022), the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD), the Top-notch Academic Programs Project of Jiangsu Higher Education Institutions (TAPP). The Postgraduate Research & Practice Innovation Program of Jiangsu Province (KYCX23_3045) is also acknowledged.
摘要增加聚偏氟乙烯(PVDF)基体的微电容可以有效地提高复合材料的压电性能。本研究采用化学修饰的碳纳米管(CNTs)作为主要的增强材料。采用原子转移自由基聚合(ATRP)技术将具有不同亲水性阴离子的多离子液体(pil)接枝到碳纳米管表面。采用溶液浇铸和熔融压铸模法制备了pvdf复合压电薄膜。研究了PIL接枝CNTs在PVDF基体中形成的微电容在PVDF基体中分散良好,并对其晶型和压电性能的影响。疏水六氟磷酸阴离子(- pf6 -)能显著改善碳纳米管在PVDF基体中的分散,增强微电容的形成。在溶液结晶过程中,CNTs和PIL对PVDF的协同作用和溶剂效应使PVDF/CNTs@PIL-PF6膜的β相含量达到80.2%,介电常数高达188,压电系数高达36。熔融结晶过程中,由于剪切拉伸和挤压作用,CNTs@PIL-PF6对PVDF极性晶相有明显的成核作用,β相含量高达99.3%,介电常数达到530,压电系数达到31。这一发现为智能压电聚合物基复合材料提供了发展方向,在制备压电储能材料方面具有很大的潜力。关键词:聚偏氟乙烯碳纳米管多离子液体压电介电性能极性相免责声明作为对作者和研究人员的服务,我们提供这个版本的接受手稿(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。本研究得到国家自然科学基金项目(21406017)、常州市科技支撑计划(社会发展)项目(CZ20230022)、江苏省高校重点学科建设项目(PAPD)、江苏省高校拔尖学科建设项目(TAPP)的支持。获江苏省研究生科研与实践创新项目(KYCX23_3045)。
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引用次数: 0
Interactions between Diphenylamine with 2-Hydroxypropyl β-Cyclodextrin based on Spectral, Biological and Theoretical Investigations 二苯胺与2-羟丙基β-环糊精相互作用的光谱、生物学和理论研究
Pub Date : 2023-10-18 DOI: 10.1080/00222348.2023.2272375
A. Antony Muthu Prabhu, G.S. Suresh Kumar, N. Rajendiran, K. Sathiyaseelan, M. Balamathi
AbstractThe inclusion complex of diphenylamine (DPA) in 2-hydroxypropyl β-cyclodextrin (HP-β-CD) was synthesized by a co-precipitation method. The structure and molecular properties of the newly synthesized inclusion complex (DPA: HP-β-CD) were investigated along with a β-cyclodextrin (β-CD) inclusion complex (DPA: β-CD) using various analytical and theoretical methods. Phase solubility, absorption, fluorescence, Fourier transform-Infra-red spectroscopy (FTIR), powder X-ray diffraction (PXRD) and scanning electron microscope (SEM) techniques were used to investigate the structural properties of the DPA before and after being encapsulated by the CDs (β-CD and HP-β-CD). Further, the antioxidant and antibacterial activities were evaluated for DPA and the inclusion complexes (DPA: β-CD and DPA: HP-β-CD). The structure of the inclusion complexes was proposed based on the experimental results and their structural optimization was done using Becke’s three parameter density functional theory using Lee-Yang-Parr’s 3-21G method in the gas phase. Then the various theoretical molecular properties, such as frontier molecular orbitals (FMO), molecular electrostatic potential map (MEP), Mulliken atomic charges, natural bond orbitals (NBO), electron localisation function (ELF), localized orbital locator (LOL), quantum theory of atoms in a molecule (QTAIM) and non covalent interactions - reduced density gradient (NCI-RDG) were studied for DPA and its inclusion complexes using the Gaussian 09W software and Multiwyn 3.8 tool.Keywords: Inclusion complexAntioxidantAntibacterialNBOELFLOLQTAIMNCI-RDGDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also.
摘要采用共沉淀法合成了二苯胺(DPA)在2-羟丙基β-环糊精(HP-β-CD)中的包合物。采用各种分析和理论方法对新合成的包合物(DPA: HP-β-CD)和β-环糊精包合物(DPA: β-CD)的结构和分子性质进行了研究。采用相溶解度、吸收、荧光、傅里叶变换红外光谱(FTIR)、粉末x射线衍射(PXRD)和扫描电镜(SEM)等技术研究了DPA被cd (β-CD和HP-β-CD)包封前后的结构性质。进一步研究了DPA及其包合物(DPA: β-CD和DPA: HP-β-CD)的抗氧化和抗菌活性。根据实验结果提出了包合物的结构,并利用Becke的三参数密度泛函理论和Lee-Yang-Parr的3-21G方法在气相中对包合物进行了结构优化。然后利用Gaussian 09W软件和Multiwyn 3.8工具研究了DPA及其包合物的前沿分子轨道(FMO)、分子静电势图(MEP)、Mulliken原子电荷、自然键轨道(NBO)、电子定位函数(ELF)、定域轨道定位器(LOL)、分子中原子量子理论(QTAIM)和非共价相互作用-降低密度梯度(NCI-RDG)等理论分子性质。关键词:包合物抗氧化剂抗菌nboelflolqtaimci - rdg免责声明作为对作者和研究人员的服务,我们提供此版本的已接受稿件(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。
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引用次数: 0
Smart Molecularly Imprinted Polymer Based on Liquid Crystals for Herbicide Recognition 基于液晶的智能分子印迹聚合物除草剂识别
Pub Date : 2023-10-18 DOI: 10.1080/00222348.2023.2272366
Nouria Bouchikhi, Djahida Lerari, Faycal Dergal, Olivier Soppera, Ouahiba Beladghame, Ulrich Maschke, Khaldoun Bachari, Lamia Bedjaoui-Alachaher
AbstractThis study focuses on the development and characterization of molecularly imprinted thin films in the absence and presence of a liquid crystal monomer, as well as the evaluation of these materials for recognition of the herbicide 2,4-dichlorophenoxyacetic acid (2,4-D). Molecular imprinted polymers (MIPs) and non-imprinted polymers (NIPs) were prepared by using two functional monomers, n-butylmethacrylate (BMA) and liquid crystalline (LC) 6-(4-cyanophenyl-4'phenoxy) hexyl acrylate (A6OCB). The resulting (MIPs) and (NIPs) materials were characterized by infra-red spectroscopy (FTIR), Raman spectroscopy, polarized optical microscopy (POM) and atomic force microscopy (AFM). The entire monomer consumption, as well as the successful loading and extraction of the 2,4-D molecules, were validated by FTIR and Raman analyses. POM and AFM characterization revealed that the percentage of liquid crystal influenced the distribution of the liquid crystal domains, and that the MIP films exhibited remarkable porosity. The experimental results revealed that the MIP films had a substantially higher adsorption capacity towards 2,4-D than the NIP materials, and that increasing the liquid crystal content increased the adsorption capacity of both the MIP and NIP films. The selectivity tests in the presence of phenoxyacetic acid (POAc) showed that the MIP films exhibited higher affinity for 2,4-D than for the POAc.Keywords: Imprinted polymerliquid crystalrecognition capacityselectivity factor2,4-D extractionDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also. AcknowledgementsThe authors gratefully acknowledge the support of the Algerian Ministry of Higher Education and Scientific Research (MESRS), the General Directorate of Scientific Research and Technological Development (DGRSDT) of Algeria, the CRAPC center, the University of Tlemcen in Algeria, the CNRS and IS2M institute.
摘要本文主要研究了液晶单体缺失和存在情况下分子印迹薄膜的制备和表征,以及这些材料对除草剂2,4-二氯苯氧乙酸(2,4- d)的识别评价。以甲基丙烯酸正丁酯(BMA)和液晶(LC) 6-(4-氰苯基-4′苯氧基)丙烯酸己酯(A6OCB)两种功能单体制备了分子印迹聚合物(MIPs)和非印迹聚合物(NIPs)。采用红外光谱(FTIR)、拉曼光谱(Raman)、偏光显微镜(POM)和原子力显微镜(AFM)对制备的(MIPs)和(NIPs)材料进行了表征。通过FTIR和拉曼分析验证了整个单体消耗以及2,4- d分子的成功加载和提取。POM和AFM表征表明,液晶的百分比影响了液晶畴的分布,并且MIP薄膜具有显著的孔隙率。实验结果表明,MIP膜对2,4- d的吸附能力明显高于NIP材料,液晶含量的增加增加了MIP膜和NIP膜的吸附能力。在苯氧乙酸(POAc)存在下的选择性实验表明,MIP膜对2,4- d的亲和力高于对POAc的亲和力。关键词:印迹聚合物液晶识别能力选择性因子4-D提取免责声明作为对作者和研究人员的服务,我们提供此版本的接受稿件(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。作者感谢阿尔及利亚高等教育和科学研究部(MESRS)、阿尔及利亚科学研究和技术发展总局(DGRSDT)、CRAPC中心、阿尔及利亚特莱姆森大学、CNRS和IS2M研究所的支持。
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引用次数: 0
Structural characterization and properties of deep eutectic solvents plasticized chitosan films 深共晶溶剂增塑壳聚糖薄膜的结构表征及性能
Pub Date : 2023-10-16 DOI: 10.1080/00222348.2023.2271785
Song Jiang, Shuyao Wang, Guofeng Peng, Congde Qiao, Jinshui Yao
AbstractIn this study chitosan (CS) films were prepared from a deep eutectic solvent (DES) composed of choline chloride and malonic acid by solvent casting, and the influence of DES content on the structure and properties of the CS films was investigated in detail. It was confirmed by the spectral data that hydrogen bonds and ionic bonds were formed between the CS chains and DES. Structural analysis demonstrated that the crystallization of the CS was greatly hampered and the CS chains were stacked disorderly in films with high DES content. Differential scanning calorimetry (DSC) results indicated that DES exerted a significant plasticizing effect. In the case of the plasticized film containing 80 wt% of DES it showed a low glass transition temperature (Tg) of 20 °C. With increasing DES content, the water content of the plasticized films also increased, evidenced by the TGA results. Meanwhile, a structural change from granular to lamellar structure was observed by SEM. In addition, compared with pure CS film, the DES plasticized CS films possessed good fracture toughness and hydrophilicity. These observations suggest that the structure and properties of the CS films can be controlled by changing their DES content.Keywords: ChitosanDeep eutectic solventhydrogen bondsplasticizing effectmechanical propertiesDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also. AcknowledgementsThis work was supported by the National Natural Science Foundation of China (No. 22178184).
摘要以氯化胆碱和丙二酸为原料,采用溶剂铸造法制备了壳聚糖(CS)薄膜,并研究了DES含量对CS薄膜结构和性能的影响。光谱数据证实CS链与DES之间形成氢键和离子键。结构分析表明,在DES含量高的薄膜中,CS链的结晶受到很大阻碍,CS链无序堆叠。差示扫描量热法(DSC)结果表明,DES具有明显的塑化作用。在含有80wt % DES的塑化膜的情况下,其玻璃化转变温度(Tg)较低,为20℃。TGA结果表明,随着DES含量的增加,塑化膜的含水量也随之增加。同时,通过扫描电镜观察到合金的组织结构由粒状变为片层状。此外,与纯CS膜相比,DES塑化CS膜具有良好的断裂韧性和亲水性。这些观察结果表明,CS薄膜的结构和性能可以通过改变其DES含量来控制。关键词:壳聚糖深度共晶溶剂氢键塑化效应力学性能免责声明作为对作者和研究人员的服务,我们提供此版本的接受稿件(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。本研究得到国家自然科学基金(22178184)资助。
{"title":"Structural characterization and properties of deep eutectic solvents plasticized chitosan films","authors":"Song Jiang, Shuyao Wang, Guofeng Peng, Congde Qiao, Jinshui Yao","doi":"10.1080/00222348.2023.2271785","DOIUrl":"https://doi.org/10.1080/00222348.2023.2271785","url":null,"abstract":"AbstractIn this study chitosan (CS) films were prepared from a deep eutectic solvent (DES) composed of choline chloride and malonic acid by solvent casting, and the influence of DES content on the structure and properties of the CS films was investigated in detail. It was confirmed by the spectral data that hydrogen bonds and ionic bonds were formed between the CS chains and DES. Structural analysis demonstrated that the crystallization of the CS was greatly hampered and the CS chains were stacked disorderly in films with high DES content. Differential scanning calorimetry (DSC) results indicated that DES exerted a significant plasticizing effect. In the case of the plasticized film containing 80 wt% of DES it showed a low glass transition temperature (Tg) of 20 °C. With increasing DES content, the water content of the plasticized films also increased, evidenced by the TGA results. Meanwhile, a structural change from granular to lamellar structure was observed by SEM. In addition, compared with pure CS film, the DES plasticized CS films possessed good fracture toughness and hydrophilicity. These observations suggest that the structure and properties of the CS films can be controlled by changing their DES content.Keywords: ChitosanDeep eutectic solventhydrogen bondsplasticizing effectmechanical propertiesDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also. AcknowledgementsThis work was supported by the National Natural Science Foundation of China (No. 22178184).","PeriodicalId":16285,"journal":{"name":"Journal of Macromolecular Science, Part B","volume":"48 19 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136142989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In-Vitro Degradation Behaviors and Biocompatibility of Sodium Alginate/Platelet-Rich Plasma-Sr 2+ Porous Microcarriers 海藻酸钠/富血小板血浆sr 2+多孔微载体的体外降解行为和生物相容性
Pub Date : 2023-10-16 DOI: 10.1080/00222348.2023.2267365
Jinxing Chen, Zhihua Zhou, Wei Wu, Wenjuan Liu, Zemei Fang, Yan Gan, Jianjun Fang
AbstractPorous microcarriers as cell carriers have attracted extensive research interest in tissue engineering. In this work sodium alginate (SA) and sodium alginate/platelet-rich plasma (SA/PRP) porous microcarriers cross-linked by SrCl2 (SA-Sr2+ and SA/PRP-Sr2+) were prepared using an emulsion method combined with a freeze-drying method. The in-vitro degradation behaviors of the SA-Sr2+ and SA/PRP-Sr2+ porous microcarriers in phosphate-buffered saline (PBS) were investigated. The cell proliferation ability and osteogenic activity of the SA-Sr2+ and SA/PRP-Sr2+ porous microcarriers were investigated by culturing rat bone marrow mesenchymal stem cells (rBMSCs). During the degradation process, the degradation behaviors, including changes of the pH of the PBS and the weight loss and morphology, of both the SA-Sr2+ and SA/PRP-Sr2+ porous microcarriers showed a similar change. After 6 weeks of degradation, parts of both the SA-Sr2+ and SA/PRP-Sr2+ porous microcarriers collapsed. The SA/PRP-Sr2+ porous microcarriers showed higher cell proliferation ability and osteoinductive ability than the SA-Sr2+ porous microcarriers during a culture time of 14 days.Keywords: sodium alginateplatelet-rich plasmaporous microcarriersin-vitro degradationbiocmpatibilityDisclaimerAs a service to authors and researchers we are providing this version of an accepted manuscript (AM). Copyediting, typesetting, and review of the resulting proofs will be undertaken on this manuscript before final publication of the Version of Record (VoR). During production and pre-press, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal relate to these versions also. AcknowledgementsThis work was financially supported by the Scientific Research Fund of the Hunan Provincial Education Department (No. 21A0323) and the National Experimental Teaching Demonstration Center of Chemical Engineering and Materials.
摘要多孔微载体作为细胞载体在组织工程领域引起了广泛的研究兴趣。采用乳化法结合冷冻干燥法制备了海藻酸钠(SA)和海藻酸钠/富血小板血浆(SA/PRP)多孔微载体(SA- sr2 +和SA/PRP- sr2 +)。研究了SA- sr2 +和SA/PRP-Sr2+多孔微载体在磷酸盐缓冲盐水(PBS)中的体外降解行为。通过培养大鼠骨髓间充质干细胞(rBMSCs),研究了SA- sr2 +和SA/PRP-Sr2+多孔微载体的细胞增殖能力和成骨活性。在降解过程中,SA- sr2 +和SA/PRP-Sr2+多孔微载体的降解行为表现出相似的变化,包括PBS的pH、失重和形貌的变化。降解6周后,SA- sr2 +和SA/PRP-Sr2+多孔微载体部分塌陷。在培养14 d时,SA/PRP-Sr2+多孔微载体的细胞增殖能力和骨诱导能力均高于SA- sr2 +多孔微载体。关键词:海藻酸钠富血小板血浆微载体体外降解生物相容性免责声明作为对作者和研究人员的服务,我们提供此版本的已接受稿件(AM)。在最终出版版本记录(VoR)之前,将对该手稿进行编辑、排版和审查。在制作和印前,可能会发现可能影响内容的错误,所有适用于期刊的法律免责声明也与这些版本有关。本工作得到湖南省教育厅科研基金(No. 21A0323)和国家化学工程与材料实验教学示范中心的资助。
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引用次数: 0
期刊
Journal of Macromolecular Science, Part B
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
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