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  1. Article: Identifying spatiotemporal information of the point pollutant source indoors based on the adjoint-regularization method.

    Jing, Yuanqi / Li, Fei / Gu, Zhonglin / Tang, Shibo

    Building simulation

    2023  Volume 16, Issue 4, Page(s) 589–602

    Abstract: Fast and accurate identification of the pollutant source location and release rate is important for improving indoor air quality. From the perspective of public health, identification of the airborne pathogen source in public buildings is particularly ... ...

    Abstract Fast and accurate identification of the pollutant source location and release rate is important for improving indoor air quality. From the perspective of public health, identification of the airborne pathogen source in public buildings is particularly important for ensuring people's safety and health. The existing adjoint probability method has difficulty in distinguishing the temporal source, and the optimization algorithm can only analyze a few potential sources in space. This study proposed an algorithm combining the adjoint-pulse and regularization methods to identify the spatiotemporal information of the point pollutant source in an entire room space. We first obtained a series of source-receptor response matrices using the adjoint-pulse method in the room based on the validated CFD model, and then used the regularization method and composite Bayesian inference to identify the release rate and location of the dynamic pollutant source. The results showed that the MAPEs (mean absolute percentage errors) of estimated source intensities were almost less than 15%, and the source localization success rates were above 25/30 in this study. This method has the potential to be used to identify the airborne pathogen source in public buildings combined with sensors for disease-specific biomarkers.
    Language English
    Publishing date 2023-02-10
    Publishing country China
    Document type Journal Article
    ZDB-ID 2422327-X
    ISSN 1996-8744 ; 1996-3599
    ISSN (online) 1996-8744
    ISSN 1996-3599
    DOI 10.1007/s12273-022-0975-z
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  2. Article ; Online: Gaseous Pollutent Source Term Estimation Based on Adjoint Probability and Regularization Method

    Jing Yuanqi / Gu Zhonglin / Li Fei / Zhang Kai

    E3S Web of Conferences, Vol 356, p

    2022  Volume 05048

    Abstract: Fast and accurate identification of source locations and release rates is particularly important for improving indoor air quality and ensuring the safety and health of people. Existing methods based on adjoint probability are difficult to distinguish the ...

    Abstract Fast and accurate identification of source locations and release rates is particularly important for improving indoor air quality and ensuring the safety and health of people. Existing methods based on adjoint probability are difficult to distinguish the release rate of dynamic sources, and optimization algorithms based on regularization are limited to analysing only a small amount of potential pollutant source information. Therefore, this study proposed an algorithm combining adjoint equations and regularization models to identify the location and release intensity of pollutant sources in the entire computational domain of a room. Based on the validated indoor CFD computational model, we first obtained a series of response matrices corresponding to the sensor position by solving the adjoint equation, and then used the regularization method and Bayesian inference to extrapolate the release rate and location of dynamic pollutant source in the room. The results shown that the proposed algorithm is convenient and feasible to identify the location and intensity of the indoor pollutant source. Compared with the real source intensity, the identification of constant source intensity is lower than the error threshold (10%) in 97.4% of the time nodes, and the identification of periodic source is lower than the error threshold (10%) in 95.4% of the time nodes. This research provides a new method and perspective for the estimation of indoor pollutant source information.
    Keywords Environmental sciences ; GE1-350
    Language English
    Publishing date 2022-01-01T00:00:00Z
    Publisher EDP Sciences
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Revealing substrate-induced structural changes in active site of human CYP51 in the presence of its physiological substrates.

    Jing, Yuanqi / Usai, Remigio / Liu, Yilin / Kincaid, James R

    Journal of inorganic biochemistry

    2023  Volume 242, Page(s) 112167

    Abstract: The human sterol 14α-demethylases (CYP51, CYP is an abbreviation for cytochrome P450) catalyze three-step oxidative removal of 14α-methyl group of lanosterol by first forming an alcohol, then an aldehyde, and finally conducting a CC bond cleavage ... ...

    Abstract The human sterol 14α-demethylases (CYP51, CYP is an abbreviation for cytochrome P450) catalyze three-step oxidative removal of 14α-methyl group of lanosterol by first forming an alcohol, then an aldehyde, and finally conducting a CC bond cleavage reaction. This present study utilizes a combination of Resonance Raman spectroscopy and Nanodisc technology to probe the active site structure of CYP51 in the presence of its hydroxylase and lyase substrates. Ligand-binding induced partial low-to-high-spin conversion is observed by applying electronic absorption spectroscopy and Resonance Raman (RR) spectroscopy. This low degree of spin conversion of CYP51 is contributed by the retention of the water ligand coordinated to the heme iron as well as direct interaction between the hydroxyl group of lyase substrate and the iron center. No significant changes in active site structure are found between detergent-stabilized CYP51 and nanodisc-incorporated CYP51, nevertheless, it is demonstrated that nanodisc-incorporated assemblies provide much more well-defined active site RR spectroscopic responses, which induces a larger conversion from low-to-high-spin state in presence of the substrates. Moreover, a positive polar environment around the exogenous diatomic ligand is detected, providing insight into the mechanism of this essential CC bond cleavage reaction.
    MeSH term(s) Humans ; Catalytic Domain ; Cytochrome P-450 Enzyme System/metabolism ; Iron ; Ligands ; Oxidation-Reduction ; Spectrum Analysis, Raman
    Chemical Substances Cytochrome P-450 Enzyme System (9035-51-2) ; Iron (E1UOL152H7) ; Ligands ; CYP51A1 protein, human
    Language English
    Publishing date 2023-02-26
    Publishing country United States
    Document type Journal Article ; Research Support, N.I.H., Extramural
    ZDB-ID 162843-4
    ISSN 1873-3344 ; 0162-0134
    ISSN (online) 1873-3344
    ISSN 0162-0134
    DOI 10.1016/j.jinorgbio.2023.112167
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  4. Article ; Online: Propagation and Diffusion of Fluorescent Substances with Footprints in Indoor Environments.

    Ma, Manman / Li, Fei / Han, Hao / Zhao, Ziwang / Sun, Yuxiao / Jing, Yuanqi / Wang, Lei

    International journal of environmental research and public health

    2022  Volume 19, Issue 13

    Abstract: Some studies have shown that contaminants can be transferred between floors and the soles, and there are few studies on pollutant propagation caused by human walking in real-life situations. This study explored the propagation and diffusion law of ground ...

    Abstract Some studies have shown that contaminants can be transferred between floors and the soles, and there are few studies on pollutant propagation caused by human walking in real-life situations. This study explored the propagation and diffusion law of ground pollutants from rubber soles to poly vinyl chloride (PVC) floor during indoor walking through employing a fluorescent solution as a simulant. The footprint decay (
    MeSH term(s) Body Weight ; Floors and Floorcoverings ; Humans ; Reproduction ; Rubber ; Walking
    Chemical Substances Rubber (9006-04-6)
    Language English
    Publishing date 2022-06-24
    Publishing country Switzerland
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2175195-X
    ISSN 1660-4601 ; 1661-7827
    ISSN (online) 1660-4601
    ISSN 1661-7827
    DOI 10.3390/ijerph19137733
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  5. Article: Estimation of pollutant sources in multi-zone buildings through different deconvolution algorithms.

    Li, Mo / Li, Fei / Jing, Yuanqi / Zhang, Kai / Cai, Hao / Chen, Lufang / Zhang, Xian / Feng, Lihang

    Building simulation

    2021  Volume 15, Issue 5, Page(s) 817–830

    Abstract: Effective identification of pollution sources is particularly important for indoor air quality. Accurate estimation of source strength is the basis for source effective identification. This paper proposes an optimization method for the deconvolution ... ...

    Abstract Effective identification of pollution sources is particularly important for indoor air quality. Accurate estimation of source strength is the basis for source effective identification. This paper proposes an optimization method for the deconvolution process in the source strength inverse calculation. In the scheme, the concept of time resolution was defined, and combined with different filtering positions and filtering algorithms. The measures to reduce effects of measurement noise were quantitatively analyzed. Additionally, the performances of nine deconvolution inverse algorithms under experimental and simulated conditions were evaluated and scored. The hybrid algorithms were proposed and compared with single algorithms including Tikhonov regularization and iterative methods. Results showed that for the filtering position and algorithm, Butterworth filtering performed better, and different filtering positions had little effect on the inverse calculation. For the calculation time step, the optimal
    Language English
    Publishing date 2021-09-10
    Publishing country China
    Document type Journal Article
    ZDB-ID 2422327-X
    ISSN 1996-8744 ; 1996-3599
    ISSN (online) 1996-8744
    ISSN 1996-3599
    DOI 10.1007/s12273-021-0826-3
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Book ; Online: Expanding the Reach of Research Computing

    Chakravorty, Dhruva K. / Janes, Sarah K. / Howell, James V. / Perez, Lisa M. / Schultz, Amy / Goldie, Marie / Gamble, Austin L. / Malkan, Rajiv / Liu, Honggao / Mireles, Daniel / Jing, Yuanqi / He, Zhenhua / Cockerill, Tim

    A Landscape Study

    2022  

    Abstract: Research-computing continues to play an ever increasing role in academia. Access to computing resources, however, varies greatly between institutions. Sustaining the growing need for computing skills and access to advanced cyberinfrastructure requires ... ...

    Abstract Research-computing continues to play an ever increasing role in academia. Access to computing resources, however, varies greatly between institutions. Sustaining the growing need for computing skills and access to advanced cyberinfrastructure requires that computing resources be available to students at all levels of scholarship, including community colleges. The National Science Foundation-funded Building Research Innovation in Community Colleges (BRICCs) community set out to understand the challenges faced by administrators, researchers and faculty in building a sustainable research computing continuum that extends to smaller and two-year terminal degree granting institutions. BRICCs purpose is to address the technology gaps, and encourage the development of curriculum needed to grow a computationally proficient research workforce. Toward addressing these goals, we performed a landscape study that culminated with a community workshop. Here, we present our key findings from workshop discussions and identify next steps to be taken by BRICCs, funding agencies, and the broader cyberinfrastructure community.
    Keywords Computer Science - Social and Information Networks
    Subject code 306
    Publishing date 2022-04-14
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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