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12th International Conference on 3D and Advanced Dosimetry, IC3DDose 2022

作者： Penev, Kalin I. Mequanint, Kibret Department of Chemical and Biochemical Engineering The University of Western Ontario London Canada Modus Medical Devices Inc. London Canada Biomedical Engineering Program The University of Western Ontario London Canada

Fricke gel dosimeters, while very sensitive and versatile, continue to suffer from one major issue – the diffusion of the dose signal. To tackle that problem, here we present the use of inert, linear polymers with very high molecular weights as rheology modifiers that can slow the diffusion in weak gels, based on 4% gelatin. At 0.2% loading of polyacrylamide (with mol. wt. 5×106 Da), a moderate, 20% decrease of the diffusion coefficient was achieved. This effect is compared to that of adding a crosslinker, such as glyoxal or increasing the concentration of gelatin by 1%. © 2023 Institute of Physics Publishing. All rights reserved.

关键词： Diffusion

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Investigating CO_(2) electro-reduction mechanisms:DFT insight into earth-abundant Mn diimine catalysts for CO_(2) conversions over hydrogen evolution reaction,feasibility,and selectivity considerations

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Frontiers of Chemical Science and engineering 2024年第12期18卷 117-129页

作者： Murugesan Panneerselvam Marcelo Albuquerque Iuri Soter Viana Segtovich Frederico W.Tavares Luciano T.Costa MolMod-CS-Institute of Chemistry Fluminense Federal UniversityValonginho CampusCentroNiteroi 24020-14Rio de JaneiroBrazil Chemical Engineering Program(PEQ/COPPE) Federal University of Rio de Janeiro(UFRJ)Moniz AragaoRio de Janeiro21941-594RJBrazil Institute of Physics Fluminense Federal UniversityPraia Vermelha CampusGragoataNiteroiRio de JaneiroBrazil Chemical and Biochemical Process Engineering School of ChemistryFederal University of Rio de JaneiroRio de Janeiro 21941Brazil

This study investigates the detailed mechanism of CO_(2) conversion to CO using the manganese(I) diimine electrocatalyst [Mn(pyrox)(CO)3Br], synthesized by Christoph Steinlechner and coworkers. Employing density functional theory calculations, we thoroughly explore the electrocatalytic pathway of CO_(2) reduction alongside the competing hydrogen evolution reaction. Our analysis reveals the significant role of diimine nitrogen coordination in enhancing the electron density of the Mn center, thereby favoring both CO_(2) reduction and hydrogen evolution reaction thermodynamically. Furthermore, we observe that triethanolamine (TEOA) stabilizes transition states, aiding in CO_(2) fixation and reduction. The critical steps influencing the reaction rate involve breaking the MnC(O)–OH bond during CO_(2) reduction and cleaving the MnH–H–TEOA bond in the hydrogen evolution reaction. We explain the preference for CO_(2) conversion to CO over H_(2) evolution due to the higher energy barrier in forming the Mn-H_(2) species during H_(2) production. Our findings suggest the potential for tuning the electron density of the Mn center to enhance reactivity and selectivity in CO_(2) reduction. Additionally, we analyze potential competing reactions, focusing on electrocatalytic processes for CO_(2) reduction and evaluating “protonation-first” and “reduction-first” pathways through density functional theory calculations of redox potentials and Gibbs free energies. This analysis indicates the predominance of the “reduction-first” pathway in CO production, especially under high applied potential conditions. Moreover, our research highlights the selectivity of [Mn(pyrox)(CO)3Br] toward CO production over HCOO– and H_(2) formation, proposing avenues for future research to expand upon these findings by using larger basis sets and exploring additional functionalized ligands.

关键词： manganese carbonyl complex CO_(2)reduction reaction hydrogen evolution reaction selectivity density functional theory studies

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Finding consensus miRNAs silencing KLF1 expression as a promising therapeutic option of sickle cell anemia

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Informatics in Medicine Unlocked 2023年 39卷

作者： Al-Madhagi, Haitham Ahmed Shahab, Muhammad Biochemical Technology Program Dhamar University Dhamar Yemen State Key Laboratories of Chemical Resources Engineering Beijing University of Chemical Technology Beijing China

Sickle cell anemia (SCA) is the most severe hemoglobinopathy with no known cure till date. Patients with SCA have a shorter lifespan and suffer from painful crises as well as end-organ damages. The goal of this in silico work is to find the consensus miRNAs targeting Kruppel-like factor (KLF1) gene, responsible for HbF-to-HbA switching. Three publicly available databases were searched, miRDB, miRWalk and TargetScan. Afterwards, the hybridization examination of the predicted miRNAs was evaluated. Docking to human argonaute-1 and the subsequent molecular dynamics simulation were also conducted. In conclusion, hsa-miR-330–5p was the best miRNA targeting KLF1 gene in almost all aspects providing a potential avenue for the development of effective SCA treatments. Further validation in vitro is warranted to fully explore the therapeutic potential of this miRNA candidate. © 2023 The Authors

关键词： Gene therapy Hybridization energy KLF1 miRNA Sickle cell anemia

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Development of ternary hybrid composites of transition metal and noble metal-based heterostructures: Ultrasensitive simultaneous electrochemical detection of bisphenol A and bisphenol S in food samples

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Food Chemistry 2024年 459卷 140451页

作者： Nandhini, Chinnathambi Huang, Chi-Hsien Mani, Govindasamy Arul, Ponnusamy Huang, Sheng-Tung Department of Materials Engineering Ming Chi University of Technology New Taipei City24303 Taiwan Center for Plasma and Thin Film Technologies Biochemical Technology R&D Center Ming Chi University of Technology New Taipei City243303 Taiwan College of Engineering Chang Gung University Taoyuan City33302 Taiwan International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City243301 Taiwan Institute of Biochemical and Biomedical Engineering Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei10608 Taiwan

Bisphenols threaten human health and sensitive detection is crucial. The present study aims to develop ternary composites of copper metal-organic framework (Cu-MOF) with Au[sbnd]Ag microstructures. The composite structure was formed by a galvanic displacement reaction and confirmed using SEM. A binder-free catalyst was used to study the electrochemical redox reaction of bisphenol A (BPA) and bisphenol S (BPS);an irreversible cyclic voltammetric signal at +0.70 V and + 0.91 V (vs. Ag/AgCl), in the dynamic range of 20 nM to 2.0 mM, and 10 nM to 1.0 mM, with limits of detection of 2.9 nM, and 3.2 nM (S/N = 3) was obtained. Practical analysis was applied to frozen tomatoes, tuna fish, milk powder, PET bottles, raw milk, and urine samples with a recovery rate of 94.00–100.80% (n = 3). Voltammetric results were validated using HPLC detection with high precision. The sensor is a promising alternative platform for measuring BPA in food samples. © 2024

关键词： Phenols

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Parametric Analysis of a Mechanical Draft Cooling Tower using Two Mathematical Models

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Journal of engineering Science and Technology Review 2021年第3期14卷 42-50页

作者： Obregon-Quiñones, Luis Guillermo Aristizábal-González, Cristian Alexis Caro-Candenazo, Miguel Antonio Research Group on Sustainable Chemical and Biochemical Processes Chemical Engineering Program Universidad del Atlántico Carrera 30 # 8-49 Puerto ColombiaAtlantico Colombia Department of Mathematics Universidad del Atlántico Carrera 30 # 8-49 Puerto ColombiaAtlantico Colombia

that determines the effect of the column cross-sectional area on multiple operating variables such as air humidity, air and water outlet temperature, among others. The computer code uses the Merkel's model and the CDAWC (Continuous Differential Air-Water Contactor) model for later comparison. It was observed a decrease in the outlet water temperature by approximately 14% when the tower's cross-sectional area increased from 1 to 2 m2. It increases the air outlet temperature by about 17% due to increased air-water contact. A negative convective heat transfer in the air was obtained in the cooling toweŕs bottom due to the large amount of energy required for the heat transfer by vaporization, which was much larger than the convective heat. The evaporative heat transfer is over 80% of the total heat transferred © 2021 School of Science, IHU. All rights reserved

关键词： Mass transfer

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Metabolic engineering of Yarrowia lipolytica for Enhanced Production of Naringenin-Derived Flavonoids: Apigenin and Acacetin

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Journal of agricultural and food chemistry 2025年第23期73卷 2025 May 29页

作者： Nahye Park Yangsub Ham Seungwoo Cha Byeongseon Jang Gyeongmin Kim Seung-Ho Baek Ji-Sook Hahn Interdisciplinary Program for Biochemical Engineering and Biotechnology Seoul National University 1 Gwanak-ro Gwanak-gu Seoul 08826 Republic of Korea. Department of Chemical and Biological Engineering Institute of Chemical Processes Seoul National University 1 Gwanak-ro Gwanak-gu Seoul 08826 Republic of Korea. Center for Bio-Based Chemistry Korea Research Institute of Chemical Technology (KRICT) Ulsan 44429 Republic of Korea.

Apigenin and acacetin are flavonoids with potent antioxidant, anti-inflammatory, and anticancer activities, making them attractive for pharmaceutical and nutraceutical applications. However, their low natural abundance presents a challenge to large-scale production. In this study, we engineered for the biosynthesis of apigenin and acacetin from naringenin. To enhance naringenin production from l-tyrosine, we introduced four heterologous genes, optimized the flux through the l-tyrosine pathway, and eliminated the competing homogentisate pathway. Malonyl-CoA availability was increased by downregulating (fatty acid synthase 1), while erythrose-4-phosphate levels were elevated through overexpression of (transketolase 1). Additionally, genes encoding flavone synthase and flavonoid 4'-O-methyltransferase were integrated to convert naringenin into apigenin, and subsequently apigenin into acacetin. Under fed-batch fermentation with an optimized carbon-to-nitrogen ratio, acacetin production reached 1.10 g/L─the highest titer reported to date in a microbial system. These results highlight as a promising chassis for scalable flavonoid biosynthesis.

关键词： Yarrowia lipolytica acacetin apigenin flavonoids naringenin

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Yeast as a cell factory for fermentative production of ethanol from xylose

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Journal of the Taiwan Institute of Chemical Engineers 2024年

作者： Subudhi, Sanjukta Mudgil, Divya Saha, Koel Sarangi, Prakash kumar Pal, Priti Microbial Biofuels and Biochemical Department Advanced Biofuels Program The Energy and Resources Institute Darbari Seth Block Habitat Place Lodhi Road New Delhi110 003 India College of Agriculture Central Agricultural University Imphal795004 India Shri Ramswaroop Memorial College of Engineering &Management Tewariganj226028 India

Background: Xylose is the most plentiful pentose sugar found in the lignocellulosic biomass in hemicellulose fractions. This pentose sugar has high potential to use as raw material for bioethanol production, as hemicellulose fractions account for 20–30 % in the lignocellulose biomass. However, bioconversion of xylose into ethanol is challenging for industrial prospective a sonly few microbes encompass the pentose fermentation pathway. Methods: Bioconversion of xylose into bioethanol using yeasts is preferred since these organisms are more resistant and have higher ethanol tolerance limit compared to bacteria. During fermentation process xylose is not readily consumed by the microbes like glucose. Metabolic engineering has so far been unsuccessful to furnish adequate outcomes;and one of the reasons of this is the lack of consideration of a range of environmental factors which play potential role fermentative ethanol production form xylose. Significant Findings: This review focuses on the bioethanol production from xylose highlighting the metabolic engineering segment, when microbes enter into fermenting phase. On this basis, the best possible technology can be evolved for subsequent commercialization of the product. © 2024

关键词： Glucose

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Matlab-Based program for the Parametric Study of Piping Systems

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Journal of engineering Science and Technology Review 2023年第6期16卷 161-169页

作者： Carvajal, Diego Alexander Obregón, Luis Guillermo Candezano, M.A.C. Research Group on Sustainable Chemical and Biochemical Processes Chemical Engineering Program Universidad del Atlántico Carrera 30 # 8-49 Puerto Colombia Atlántico Colombia Department of Mathematics Universidad del Atlántico Carrera 30 # 8-49 Puerto Colombia Atlántico Colombia

Educative computational tools for education in Chemical engineering has been increasing in the last decade due to the advance in technology. This branch of engineering has many subjects that make it difficult to have only one robust software that contains all the main subjects. It involves the creation of special programs dedicated to specific areas of study. One of the main subjects in Chemical engineering programs is fluid mechanics. This study presents the application of a graphical user interface developed in Matlab for the study of piping systems where the flow rate, pump power, and pressure drops are determined as a function of the material, diameter, length, and elevation of the pipe, as well as the number and type of pipe couplings. The software is based on an algorithm that allows the solution of piping systems with elevation using energy balances, specific equations of fluid mechanics, and specific geometric parameters. Three relevant case studies were developed, showing the behavior of the energy expenses of the pumps. It was found an increase in the pump power from 91.4% to 3713.4% when a pipe diameter of 2 1/2 inches is increased from 20% to 60%. It was observed that the effect of the length of the pipe on the energy consumption of the pump is not significant for flows lower than 8 L/s. When the flow rate in the pipeline is 15 L/s and a change of pipeline is made from a 2-inch pipe - PVC schedule 40 to one of PVC schedule 80 of the same size, a 26.5% increase in pump power is needed. For steel pipes with schedule 40 and schedule 80, a rise of 30% and 67.8% was required, respectively. © 2023 School of Science, IHU. All rights reserved.

关键词： Polyvinyl chlorides

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Exploiting CotA laccase from Antarctic Bacillus sp. PAMC28748 for efficient mediator-assisted dye decolorization and ABTS regeneration

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Chemosphere 2025年 372卷 144137页

作者： Karmacharya, Jayram Shrestha, Prasansah Han, So-Ra Lee, Jun Hyuck Oh, Tae-Jin Department of Life Science and Biochemical Engineering SunMoon University Asan31460 Korea Republic of Genome-based Bio-IT Convergence Institute Asan31460 Korea Republic of Bio Big Data-based Chungnam Smart Clean Research Leader Training Program SunMoon University Asan31460 Korea Republic of Division of Life Sciences Korea Polar Research Institute Incheon21990 Korea Republic of Department of Pharmaceutical Engineering and Biotechnology SunMoon University Asan31460 Korea Republic of

Laccases are of particular interest in addressing environmental challenges, such as the degradation of triphenylmethane (TPM) dyes, including crystal violet (CV) and Coomassie Brilliant Blue (CBB), which are commonly used in SDS-PAGE for protein visualization. However, these dyes present significant environmental concerns due to their resistance to degradation, which makes their removal from industrial wastewater a major challenge. To address this, the current study investigates the potential of a novel CotA laccase derived from Bacillus sp. PAMC28748, an Antarctic bacterial isolate, for decolorizing these stubborn dyes. The CotA gene was successfully cloned and expressed, and the enzyme demonstrated optimal activity at pH 3 and 50 °C, which favors its maximum catalytic performance. The recombinant Bacillus sp. PAMC28748 rBCLac effectively decolorized CBB without additional mediators, whereas the degradation of CV required the use of the redox mediator ABTS. With ABTS, over 90 % decolorization was achieved at a 0.35 % concentration of CV after 240 min of incubation. Further investigation through molecular docking studies revealed that hydrogen bonding and hydrophobic interactions between the enzyme and the dye molecules are critical for effective degradation, highlighting the enzyme's specific interaction mechanisms. In addition to its catalytic effectiveness, the study also demonstrated the practical potential of the rBCLac system by recovering and reusing both ABTS and rBCLac through ultracentrifugation and acetone precipitation. The process maintained over 75 % efficiency across three cycles, despite a slight decline in enzyme activity, thus showcasing the system's sustainability and reusability. These findings collectively suggest that rBCLac, isolated from an extreme Antarctic environment, holds considerable promise as a candidate for the removal of industrial wastewater containing persistent dyes, with the added potential for cost-effective and sustainable wat

关键词： Hydrogen bonds

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Interfacial challenges for all-solid-state batteries based on sulfide solid electrolytes

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Journal of Materiomics 2021年第2期7卷 209-218页

作者： Shuo Wang Ruyi Fang Yutao Li Yuan Liu Chengzhou Xin Felix H.Richter Ce-Wen Nan State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing100084China Materials Science and Engineering Program and Texas Materials Institute The University of Texas at AustinAustinTX78712United States Institute of Physical Chemistry&Center for Materials Research Justus-Liebig-University GiessenHeinrich-Buff-Ring 17D-35392GiessenGermany State Key Laboratory of Bio-fibers and Eco-textiles Institute of Biochemical EngineeringCollege of Materials Science and EngineeringQingdao UniversityQingdao266071China

Sulfide solid electrolytes(e.g.,lithium thiophosphates)have the highest room-temperature ionic conductivity(-10^(-2) S cm^(-1))among solid Li-ion conductors so far,and thus have attracted ever-increasing attention for high energy-density and safety all-solid-state batteries(ASSBs).However,interfacial issues between sulfide electrolytes and electrodes have been the main challenges for their applications in *** interfacial instabilities would occur due to side reactions of sulfides with electrodes,poor solid-solid contact,and lithium dendrites during charge/discharge *** this review,we analyze the interfacial issues in ASSBs based on sulfide electrolytes,and in particular,discuss strategies for solving these interfacial issues and stabilize the electrode-electrolyte ***,a perspective of the interfacial engineering for sulfide-based ASSBs is provided.

关键词： Sulfide solid electrolytes Interfacial engineering All-solid-state batteries Li-metal protection

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