Perturbation and Truncation of Probability Generating Function Methods for Stiff Chemical Reactions

One can reformulate chemical master equations of the stochastic reaction network into a partial differential equation (PDE) of a probability generating function (PGF). In this paper, we present two improvements in such PGF-PDE approach, based on perturbation and double-truncation, respectively. The stiff system that involves fast and slow reactions together often requires high computational cost. By applying the perturbation method to PGF-PDEs, we expand the equation in terms of a small reaction rate which is often responsible for such stiffness of the system. Also by doubly truncating, we dump relatively small terms and reduce the computational load significantly at each time step. The terms corresponding to rare events are sieved out through truncations of Taylor expansion. It is shown through numerical examples of enzyme kinetics, transition model, and Brusselator model that the suggested method is accurate and efficient for approximation of the state probabilities. © 2015 Soyeong Jeong et al.close

Single-molecule fluorescence imaging techniques reveal molecular mechanisms underlying deoxyribonucleic acid damage repair

Advances in single-molecule techniques have uncovered numerous biological secrets that cannot be disclosed by traditional methods. Among a variety of single-molecule methods, single-molecule fluorescence imaging techniques enable real-time visualization of biomolecular interactions and have allowed the accumulation of convincing evidence. These techniques have been broadly utilized for studying DNA metabolic events such as replication, transcription, and DNA repair, which are fundamental biological reactions. In particular, DNA repair has received much attention because it maintains genomic integrity and is associated with diverse human diseases. In this review, we introduce representative single-molecule fluorescence imaging techniques and survey how each technique has been employed for investigating the detailed mechanisms underlying DNA repair pathways. In addition, we briefly show how live-cell imaging at the single-molecule level contributes to understanding DNA repair processes inside cells

Microbial communities in aerosol generated from cyanobacterial bloom-affected freshwater bodies: an exploratory study in Nakdong River, South Korea

Toxic blooms of cyanobacteria, which can produce cyanotoxins, are prevalent in freshwater, especially in South Korea. Exposure to cyanotoxins via ingestion, inhalation, and dermal contact may cause severe diseases. Particularly, toxic cyanobacteria and their cyanotoxins can be aerosolized by a bubble-bursting process associated with a wind-driven wave mechanism. A fundamental question remains regarding the aerosolization of toxic cyanobacteria and cyanotoxins emitted from freshwater bodies during bloom seasons. To evaluate the potential health risk of the aerosolization of toxic cyanobacteria and cyanotoxins, the objectives of this study were as follows: 1) to quantify levels of microcystin in the water and air samples, and 2) to monitor microbial communities, including toxic cyanobacteria in the water and air samples. Water samples were collected from five sites in the Nakdong River, South Korea, from August to September 2022. Air samples were collected using an air pump with a mixed cellulose ester membrane filter. Concentrations of total microcystins were measured using enzyme-linked immunosorbent assay. Shotgun metagenomic sequencing was used to investigate microbial communities, including toxic cyanobacteria. Mean concentrations of microcystins were 960 μg/L ranging from 0.73 to 5,337 μg/L in the water samples and 2.48 ng/m3 ranging from 0.1 to 6.8 ng/m3 in the air samples. In addition, in both the water and air samples, predominant bacteria were Microcystis (PCC7914), which has a microcystin-producing gene, and Cyanobium. Particularly, abundance of Microcystis (PCC7914) comprised more than 1.5% of all bacteria in the air samples. This study demonstrates microbial communities with genes related with microcystin synthesis, antibiotic resistance gene, and virulence factors in aerosols generated from cyanobacterial bloom-affected freshwater body. In summary, aerosolization of toxic cyanobacteria and cyanotoxins is a critical concern as an emerging exposure route for potential risk to environmental and human health

A 2D Titanium Carbide MXene Flexible Electrode for High-Efficiency Light-Emitting Diodes

© 2020 WILEY-VCH Verlag GmbH & Co. KGaA, WeinheimAlthough several transparent conducting materials such as carbon nanotubes, graphene, and conducting polymers have been intensively explored as flexible electrodes in optoelectronic devices, their insufficient electrical conductivity, low work function, and complicated electrode fabrication processes have limited their practical use. Herein, a 2D titanium carbide (Ti3C2) MXene film with transparent conducting electrode (TCE) properties, including high electrical conductivity (≈11 670 S cm−1) and high work function (≈5.1 eV), which are achieved by combining a simple solution processing with modulation of surface composition, is described. A chemical neutralization strategy of a conducting-polymer hole-injection layer is used to prevent detrimental surface oxidation and resulting degradation of the electrode film. Use of the MXene electrode in an organic light-emitting diode leads to a current efficiency of ≈102.0 cd A−1 and an external quantum efficiency of ≈28.5% ph/el, which agree well with the theoretical maximum values from optical simulations. The results demonstrate the strong potential of MXene as a solution-processable electrode in optoelectronic devices and provide a guideline for use of MXenes as TCEs in low-cost flexible optoelectronic devices.

New Non-Fullerene Acceptor with Extended Conjugation of Cyclopenta [2,1-b:3,4-b\u27] Dithiophene for Organic Solar Cells

Herein, we design and characterize 9-heterocyclic ring non-fullerene acceptors (NFAs) with the extended backbone of indacenodithiophene by cyclopenta [2,1-b:3,4-b\u27] dithiophene (CPDT). The planar conjugated CPDT donor enhances absorption by reducing vibronic transition and charge transport. Developed NFAs with different end groups shows maximum absorption at approximately 790-850 nm in film. Because of the electronegative nature of the end-group, the corresponding acceptors showed deeper LUMO energy levels and red-shifted ultraviolet absorption. We investigate the crystallinity, film morphology, surface energy, and electronic as well as photovoltaic performance. The organic photovoltaic cells using novel NFAs with the halogen end groups fluorine or chlorine demonstrate better charge collection and faster exciton dissociation than photovoltaic cells using NFAs with methyl or lacking a substituent. Photovoltaic devices constructed from m-Me-ITIC with various end groups deliver power conversion efficiencies of 3.6-11.8%

A VHF Band Small CRLH Antenna Using Double-Sided Meander Lines

In this paper, a miniaturized very-high frequency (VHF) band antenna using both top and bottom meander lines is proposed. To design a compact size antenna in the VHF band, a Composite Right/Left-Handed (CRLH) transmission line is applied to antenna structure; additionally, both top and bottom meander lines were used to achieve a greater inductance. The CRLH transmission line unit cell operates at 88 MHz, and the fabricated antenna is designed by arranging 7-unit cells. The overall size of the proposed antenna is 0.087λ × 0.02λ × 0.0003λ at the lowest operating frequency, and the antenna operates at 84 MHz. The VSWR 3.5:1 reference operating bandwidth of the antenna is 2%. The received power of the proposed CRLH antenna was measured to verify the antenna performance

Simulation Study of the IAMSAR Standard Recovery Maneuvers for the Improvement of Serviceability

Recovery maneuvers are highly important for rescuing a person overboard at sea. This is the prime reason why the International Maritime Organization (IMO) has published the International Aeronautical and Maritime Search and Rescue (IAMSAR) Manual III, which aims to assist vessels and aircrafts in the performance of a search, rescue, or on-scene co-ordinated efforts with aspects of search and rescue (SAR) which pertain to their own emergencies. The IAMSAR Manual III includes the Williamson turn, the Anderson turn and the Scharnov turn. Furthermore, the Lorén turn has been newly included in the 2019 edition of the Manual. Although several studies have pointed out that the Williamson turn needs to be applied in a modified form for proper application, in terms of returning ability to the original track line, it has not yet been modified in the Manual. Therefore, the purpose of this study is to analyze the serviceability of the four standard recovery maneuvers through a series of ship-handling simulations with representative types of ships. Our main results are as follows: firstly, the Anderson turn is the fastest recovery method, regardless of engine power and rudder efficiency; secondly, the actual paths of the Williamson turn are not consistent with the expected ones; and, finally, no correlations were found between the returning ability of the Williamson turn and any ship configuration or maneuvering ability factors, or their combinations. Thus, based on the experimental results, this paper proposes revising the descriptions of the standard recovery maneuvers and IMO regulations on ship maneuverability, as well as posting the actual tracks of the Williamson turn on the bridge in order to improve its serviceability

Experimental and computational investigation of hydrophilic monomeric substances as novel CO2 hydrate inhibitors and potential synergists

CO2 hydrate formation in the CO2 transmission pipelines for ocean or geological sequestration can result in pipeline blockage and rupture. Herein, monomeric substances (urea (U), acetamide (A), and glycine (G)) that are easily decomposable were evaluated as kinetic hydrate inhibitors and potential synergists for CO2 hydrate using experimental and computational approaches. The onset temperatures of CO2 + inhibitor hydrates were experimentally measured using a high-pressure autoclave reactor. G showed the best inhibition effect among single inhibitors, and combinations of U + A and A + G made the inhibition synergism for CO2 hydrate. Moreover, molecular dynamics simulations were also conducted to understand the nucleation and formation behaviors of CO2 hydrate in the presence of single and mixed inhibitors at a molecular level. The profiles of F4 order parameters and hydrate counts for each CO2 + inhibitor system followed the experimental results. Analyses of hydrogen bond distributions, radial distribution function, and mean squared displacement were carefully conducted to elucidate the inhibition mechanism of monomeric substances and their inhibition synergism for CO2 hydrate. The experimental and computational results would provide insights into the development of new biodegradable CO2 hydrate inhibitors and contribute to safe transportation and injection of CO2 for long-term storage. (C) 2022 Elsevier Ltd. All rights reserved