Month: December 2022

Fan, Xiaqiong published the artcileDeep-Learning-Assisted multivariate curve resolution, Synthetic Route of 111-11-5, the main research area is deep learning assisted multivariate curve resolution; Deep Learning; GC-MS; Multivariate Curve Resolution.

Gas chromatog.-mass spectrometry (GC-MS) is one of the major platforms for analyzing volatile compounds in complex samples. However, automatic and accurate extraction of qual. and quant. information is still challenging when analyzing complex GC-MS data, especially for the components incompletely separated by chromatog. Deep-Learning-Assisted Multivariate Curve Resolution (DeepResoln.) was proposed in this study. It essentially consists of convolutional neural networks (CNN) models to determine the number of components of each overlapped peak and the elution region of each compound With the assistance of the predicted elution regions, the informative regions (such as selective region and zero-concentration region) of each compound can be located precisely. Then, full rank resolution (FRR), multivariate curve resolution-alternating least squares (MCR-ALS) or iterative target transformation factor anal. (ITTFA) can be chosen adaptively to resolve the overlapped components without manual intervention. The results showed that DeepResoln. has superior compound identification capability and better quant. performances when comparing with MS-DIAL, ADAP-GC and AMDIS. It was also found that baseline levels, interferents, component concentrations and peak tailing have little influences on resolution result. Besides, DeepResoln. can be extended easily when encountering unknown component(s), due to the independence of each CNN model. All procedures of DeepResoln. can be performed automatically, and adaptive selection of resolution methods ensures the balance between resolution power and consumed time. It is implemented in Python and available at https://github.com/XiaqiongFan/DeepResoln.

Journal of Chromatography A published new progress about Deep learning. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Synthetic Route of 111-11-5.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Fan, Xiaqiong published the artcileDeep-Learning-Assisted multivariate curve resolution, COA of Formula: C11H22O2, the main research area is deep learning assisted multivariate curve resolution; Deep Learning; GC-MS; Multivariate Curve Resolution.

Gas chromatog.-mass spectrometry (GC-MS) is one of the major platforms for analyzing volatile compounds in complex samples. However, automatic and accurate extraction of qual. and quant. information is still challenging when analyzing complex GC-MS data, especially for the components incompletely separated by chromatog. Deep-Learning-Assisted Multivariate Curve Resolution (DeepResoln.) was proposed in this study. It essentially consists of convolutional neural networks (CNN) models to determine the number of components of each overlapped peak and the elution region of each compound With the assistance of the predicted elution regions, the informative regions (such as selective region and zero-concentration region) of each compound can be located precisely. Then, full rank resolution (FRR), multivariate curve resolution-alternating least squares (MCR-ALS) or iterative target transformation factor anal. (ITTFA) can be chosen adaptively to resolve the overlapped components without manual intervention. The results showed that DeepResoln. has superior compound identification capability and better quant. performances when comparing with MS-DIAL, ADAP-GC and AMDIS. It was also found that baseline levels, interferents, component concentrations and peak tailing have little influences on resolution result. Besides, DeepResoln. can be extended easily when encountering unknown component(s), due to the independence of each CNN model. All procedures of DeepResoln. can be performed automatically, and adaptive selection of resolution methods ensures the balance between resolution power and consumed time. It is implemented in Python and available at https://github.com/XiaqiongFan/DeepResoln.

Journal of Chromatography A published new progress about Deep learning. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, COA of Formula: C11H22O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Shen, Xin published the artcileBiphasic organohydrogels based on phase change materials with excellent thermostability for thermal management applications, Quality Control of 142-90-5, the main research area is biphasic organohydrogel phase change material thermal management thermostability.

Innovative thermal management materials are in high demand for construction of energy-efficient systems. Evaporative cooling hydrogel has been extensively investigated in passive building cooling owing to its cost-effective and environmental-friendly characteristics. However, poor mech. properties and shape instability severely restrict its scope and lifespan. In this study, we report an ingenious and effective thermal management material, the PCMs organohydrogel, with advanced thermal performance and outstanding shape and thermal stability, which integrates the advantages of evaporative cooling performance of water and latent heat storage capability of eicosane. The biphasic PCMs organohydrogel was synthesized by the CAA-HRP-H2O2 ternary enzyme-mediated polymerization of the eicosane-in-water emulsion stabilized by the cellulose acetoacetate (CAA). CAA played important roles in the system not only as the emulsifier but also as the polymerization mediator. The encapsulation of PCMs by the organohydrogel provides the composites outstanding thermal stability as the decomposition temperature of the eicosane was elevated by 101 °C. Furthermore, the PCMs organohydrogel exhibits excellent thermomech. performance and shape memory effect because of the wrapped phase-transition micro-inclusions and the interfacial tension of heterophases. The application of the PCMs organohydrogel as passive cooling material on the model house roof was demonstrated. The cooling effectiveness of the PCMs organohydrogel was investigated, indicating that the biphasic PCMs organohydrogel is expected to be an efficient and reliable passive thermal management material in building thermoregulations.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Decomposition. 142-90-5 belongs to class esters-buliding-blocks, name is Dodecyl 2-methylacrylate, and the molecular formula is C16H30O2, Quality Control of 142-90-5.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ferreira de Lima, Nayana published the artcileIn vitro metabolic stress induced by nitazoxanide and flubendazole combination in Taenia crassiceps cysticerci, Computed Properties of 55981-09-4, the main research area is Taenia crassiceps nitazoxanide flubendazole antiparasitic cysticercosis; Experimental cysticercosis; Flubendazole; Metabolism; Nitazoxanide.

Taenia crassiceps is often used as exptl. model for T. solium cysticercosis studies. Currently cysticercosis antiparasitic treatment is based on albendazole and praziquantel which may present side effects and parasitic resistance. The search for other antiparasitic drugs is necessary. Nitazoxanide (NTZ) and flubendazole (FLB) are broad spectrum antiparasitic drugs that present anti-cysticercosis effect. Metabolic analyses help to determine the impact of these drugs on parasites. The aim of this study was to determine the impact on the production and excretion of organic metabolites in T. crassiceps cysticerci after in vitro exposure to NTZ and FLB, isolated or in combination. T. crassiceps cysticerci were culture in RPMI medium and exposed to 10μg/mL of NTZ, 10μg/mL of FLB or 10μg/mL of NTZ +10μg/mL of FLB. 24 h after exposure, the parasites were chromatog. analyzed to determine the impact of these drugs on glycolysis, homolactic fermentation, tricarboxylic acid cycle, fatty acids oxidation and proteins catabolism. It was possible to determine that the drugs combination induced greater metabolic impact on cysticerci in comparison to the isolated drugs exposure. The drugs combination induced gluconeogenesis, metabolic acidosis, increase in tricarboxylic acid cycle and in proteins catabolism. While the NTZ isolated exposure induced metabolic acidosis and protein catabolism and the FLB isolate exposure induced gluconeogenesis and protein catabolism. These results show that the combination of drugs with different modes of action increase the antiparasitic effect and may be indicated as alternative cysticercosis treatments.

Experimental Parasitology published new progress about Cysticercosis. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Computed Properties of 55981-09-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

de Lima, Nayana Ferreira published the artcileAlterations in Taenia crassiceps cysticerci cytoskeleton induced by nitazoxanide and flubendazole, HPLC of Formula: 55981-09-4, the main research area is Taenia cytoskeleton nitazoxanide flubendazole; Cysticercosis; Cytoskeleton; Drugs combination; Morphology.

Cysticercosis is the presence of Taenia solium larval stage in tissues such as central nervous system, skin, muscles and eye globe. The current treatment is based on albendazole and praziquantel which already present resistance reports. Therefore, the search for alternative treatments is paramount. The aim of this study was to determine the effect of flubendazole and nitazoxanide on cytoskeleton proteins from Taenia crassiceps cysticerci, an exptl. model for cysticercosis. Cysticerci were cultured in RPMI supplemented medium containing nitazoxanide and/or flubendazole. 24 h after the exposure the cysticerci were processed for scanning and transmission electron microscopy and for protein anal. of the cytoskeleton. The proteins were detected through 1D electrophoresis and identified through Western Blot. Nitazoxanide exposure increased tubulin and actin quantifications in T. crassiceps cysticerci. While flubendazole alone and the drugs combinations induced an increase in α-tubulin and actin and decreased β-tubulin quantifications in the parasite. Morphol. changes such as swelling and rupture of vesicle, stiff membrane, decrease in movements were observed when the cysticerci were incubated with the different compounds In conclusion the drugs induced significative impact in the parasites cytoskeleton and may be considered as alternative treatments for cysticercosis.

Acta Tropica published new progress about Cysticercosis. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, HPLC of Formula: 55981-09-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Filho, Jose B. G. published the artcilePhotocatalytic reduction of levulinic acid using thermally modified niobic acid, Product Details of C7H12O3, the main research area is photocatalyst reduction levulinic acid thermally modified niobic acid.

After the discovery that com. niobic acid (H0) is able to reduce the levulinic acid in value added mols., H0 was thermally treated at 200°C, 400°C, and 600°C, generating the niobium oxides H1, H2 and H3 and the photocatalytic improvement towards reduction was investigated. Although the higher temperatures significantly decreased the sp. surface area, it was important to remove surface hydroxyl groups and create the T and TT-Nb2O5 phase mixture in H3 which were responsible for its best performance (36.4% of conversion and almost 99% of selectivity for reduced products). To further improve the H3 photoactivity, an identical synthesis was performed in H2 flow to produce oxygen vacancies in the structure of the new photocatalyst (H3OV). This simple modification method increased �% of products yield, which is the best photocatalytic result obtained for pure niobium oxides so far, and proved that it is possible to significantly increase photocatalytic performance without laborious modifications. The electronic and structural differences between H3 and H3OV were investigated by XRD Rietveld refinement, EPR, HR-TEM, DRS and SAED analyses.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Crystallinity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Product Details of C7H12O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Chen, Senbin published the artcileDesign of Semicrystalline Elastomeric Glassy Triblock Copolymers from Oligoamide-Based RAFT Agents, Recommanded Product: Dodecyl 2-methylacrylate, the main research area is semicrystalline elastomeric glassy triblock copolymer oligoamide RAFT.

Semicrystalline-elastomeric-glassy ABC triblock copolymers, consisting of precisely defined blocks based on oligoamide 11 (OPA11), poly(lauryl methacrylate) (PLMA), and poly(Me methacrylate) (PMMA) have been designed via the combination of melt polycondensation and reversible-addition-fragmentation-transfer (RAFT) polymerization techniques. Semicrystalline OPA11 prepared via melt polycondensation was equipped with a RAFT agent at the ω-position. The resulting functionalized oligomers were further used to mediate the radical polymerization of methacrylate monomers (LMA and MMA) and generate well-defined OPA11-b-PLMA-b-PMMA triblock copolymers. AFM observations of the triblock copolymer in bulk revealed a microphase separation consisting of the formation of PMMA domains surrounded by the PLMA matrix, and the presence of addnl. spherical nanodomains embedded into the PLMA matrix possibly corresponding to OPA11 semicrystalline regions. The triblocks were finally dissolved into a reactive epoxy-based mixture which was subsequently cured to generate a well-defined nanostructured epoxy-amine network by freezing the ABC triblock reaction-induced phase separation Thus, the morphol. appears as a homogeneous dispersion of nanometric spherical micelles (diameter: âˆ?20 nm) constituted of an elastomeric core of PLMA, an outer shell of PMMA and OPA11 in between. The described synthetic strategy and the proposed block copolymer structures may contribute to future efforts aiming at developing new hierarchically organized polymeric materials, which can be implemented in polymer physics and material science.

Macromolecules (Washington, DC, United States) published new progress about Crystallinity. 142-90-5 belongs to class esters-buliding-blocks, name is Dodecyl 2-methylacrylate, and the molecular formula is C16H30O2, Recommanded Product: Dodecyl 2-methylacrylate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Li, Xiaoning published the artcileZirconium-Gallic Acid Coordination Polymer: Catalytic Transfer Hydrogenation of Levulinic Acid and Its Esters into γ-Valerolactone, Related Products of esters-buliding-blocks, the main research area is zirconium catalyst preparation surface structure ethyl levulinate hydrogenation.

The conversion of Et levulinate (EL) to produce γ-valerolactone (GVL) through catalytic transfer hydrogenation (CTH) reaction plays a crucial role in the field of biomass catalytic conversion. In this work, a novel Zr-base catalyst with phenate group, phenolic hydroxyl and carboxyl in its structure was prepared by the co-precipitation of natural sources gallic acid and ZrCl4. It was found that Zr-GA has an excellent catalytic performance for this reaction and satisfactory GVL yield could be achieved. Besides, Zr-GA could be easily separated from the reaction system and reused at least six times without a significantly decrease in activity. Meanwhile, various characterizations had proved that Zr-GA is a porous material with acid-base bifunctional sites. The main reason for the high catalytic activity of the Zr-GA was that the synergetic effects of Lewis acid/base sites and Bronsted acid sites and appropriate textural properties. In addition, a possible reaction mechanism was proposed in conjunction with the poisoning experiment and previous reports. The heterogeneous catalyst Zr-GA prepared with gallic acid as a raw material has low cost and recyclability, and has great potential in green chem.

Catalysis Letters published new progress about Crystallinity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Related Products of esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Li, Yafei published the artcileSynthesis of γ-valerolactone from ethyl levulinate hydrogenation and ethyl 4-hydroxypentanoate lactonization over supported Cu-Ni bimetallic, bifunctional catalysts, Related Products of esters-buliding-blocks, the main research area is ethyl levulinate valerolactone hydrogenation bimetallic catalyst.

A stable and highly efficient supported Cu-Ni catalysts for the conversion of Et levulinate (EL) to gamma;-valerolactone (GVL) was developed. The catalysts were characterized by XRD, TEM, TPD, TPR, and XPS. The support effect of metal oxides (Al2O3, SiO2, ZrO2, and TiO2) revealed that Cu-Ni supported on Al2O3 showed the highest activity for EL hydrogenation to Et 4-hydroxypentanoate (EHP) and the subsequent intramol. esterification of EHP to GVL. EHP intramol. esterification to GVL in the ethanol solution was a reversible reaction with an equilibrium constant of 24 at 453 K. A simplified reaction kinetic network was established. The solvent had a significant influence on the reaction equilibrium and the catalyst stability. Cu-Ni/Al2O3 in n-hexane solvent gave a higher GVL yield than that in ethanol solvent, and showed better recyclability than that in toluene solvent. With optimizing the conditions, Cu-Ni/Al2O3 gave 99.9% conversion and 98% selectivity to GVL with a space-time yield of 1.13 gGVL g-1cath-1 in n-hexane solvent with good recyclability.

Journal of Industrial and Engineering Chemistry (Amsterdam, Netherlands) published new progress about Crystallinity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Related Products of esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hoeppener, Christiane published the artcileMultimodal Characterization of Resin Embedded and Sliced Polymer Nanoparticles by Means of Tip-Enhanced Raman Spectroscopy and Force-Distance Curve Based Atomic Force Microscopy, Safety of Dodecyl 2-methylacrylate, the main research area is sliced polymer nanoparticle Raman spectroscopy atomic force microscopy; force-distance curve based atomic force microscopy; microtome slicing; multimodal characterization; polymer nanoparticles; resin embedding; tip-enhanced Raman spectroscopy.

Understanding the property-function relation of nanoparticles in various application fields involves determining their physicochem. properties, which is still a remaining challenge to date. While a multitude of different characterization tools can be applied, these methods by themselves can only provide an incomplete picture. Therefore, novel anal. techniques are required, which can address both chem. functionality and provide structural information at the same time with high spatial resolution This is possible by using tip-enhanced Raman spectroscopy (TERS), but due to its limited depth information, TERS is usually restricted to investigations of the nanoparticle surface. Here, TERS experiments are established on polystyrene nanoparticles (PS NPs) after resin embedding and microtome slicing. With that, unique access to their internal morphol. features is gained, and thus, enables differentiation between information obtained for core- and shell-regions. Complementary information is obtained by means of transmission electron microscopy (TEM) and from force-distance curve based at. force microscopy (FD-AFM). This multimodal approach achieves a high degree of discrimination between the resin and the polymers used for nanoparticle formulation. The high potential of TERS combined with advanced AFM spectroscopy tools to probe the mech. properties is applied for quality control of the resin embedding procedure.

Small published new progress about Crystallinity. 142-90-5 belongs to class esters-buliding-blocks, name is Dodecyl 2-methylacrylate, and the molecular formula is C16H30O2, Safety of Dodecyl 2-methylacrylate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics