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Unveiling the molecular basis of selective fluorination of SAM-dependent fluorinases

Chemical Science 2025年 2025 May 5页

作者： Verma, Ravi Kumar Yeo, Wan Lin Tiong, Elaine Ang, Ee Lui Lim, Yee Hwee Wong, Fong Tian Fan, Hao Bioinformatics Institute Agency for Science Technology and Research 30 Biopolis Street #07-01 Matrix Building Singapore 138671 Singapore Singapore Institute of Food and Biotechnology Innovation Agency for Science Technology and Research 31 Biopolis Way #04-01 Nanos Singapore 138669 Singapore Institute of Molecular and Cell Biology Agency for Science Technology and Research 61 Biopolis Drive Proteos Singapore 138673 Singapore Institute of Sustainability for Chemicals Energy and Environment Agency for Science Technology and Research 8 Biomedical Grove #07-01 Neuros Building Singapore 138665 Singapore Synthetic Biology Translational Research Program Yong Loo Lin School of Medicine National University of Singapore 10 Medical Drive Singapore 117597 Singapore Department of Biochemistry Yong Loo Lin School of Medicine National University of Singapore 8 Medical Drive Singapore 117596 Singapore

S-Adenosylmethionine (SAM)-dependent fluorinases have emerged as environmentally friendly enzymatic alternatives for organofluorine chemical synthesis. However, their use remains limited by their rarity;only 16 fluorinases have been found in nature so far. Here we report two new fluorinases, FLA^Sbac from Streptosporangiales bacterium and a modified FLA^Adig_Nter from Actinoplanes digitatis. Through molecular dynamics (MD) simulations, we have identified the crucial roles of the SAM-binding site and an ion-egress site (IES) for fluorination reaction, particularly regarding its preference for fluoride ions. We have validated these findings by testing mutants of the two new fluorinases and the known fluorinase from Streptomyces sp. MA37 (FLA^MA37). Through these targeted mutations, we identified, for the first time, specific sites in certain variants that significantly enhance the enzyme's specificity for fluorination over chlorination while maintaining its fluorination activity. In these particular variants, this refinement led to a remarkable increase in fluorine preference, improving from approximately 10-fold to over 200-fold. Overall, this research advances our fundamental understanding of enzymatic fluorination, providing a basis for further exploration of fluorinase optimization. In turn, these advancements could open new opportunities for the pharmaceutical industry in the development of organofluorine drugs and other fluorine-reliant biotechnologies. © 2025 The Royal Society of Chemistry.

关键词： Fluorination

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Comfort control and improved thermostat location in conference rooms and academic working spaces

Comfort control and improved thermostat location in conferen...

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作者： Ghanta, Nikhilesh Kongoletos, Johnathan Glicksman, Leon Building Technology Program MIT CambridgeMA United States

The challenge of comfort control within commercial and academic spaces was explored in an attempt to determine what would be the optimum location and type of measurement over different occupancies and different seasons of the year. A computational fluid dynamic (CFD) simulation using Reynolds-averaged, RNG k – Ε turbulence model was set up. It was verified by physical measurements of temperature and flow behavior within a commercial conference room containing a large external window and that was conditioned by an active chilled beam. Experimental measurements, supplemented by simulation, indicated a large, seasonal-varied deviation between the temperature measured by a wall-mounted thermostat and the average comfort conditions around occupants of the room. CFD results and post-processed predicted mean vote (PMV) values showed that having the thermostat located near the humans in the middle of the room (over a table in this case) improved the thermal comfort conditions compared to having it on a wall opposite the external window (PMV of 1.1 as compared to 1.8 for an Andover, MA summer scenario, respectively). The major causes of the deviations were the convective and infrared heat transfer from the window surface as well as the solar gains to the room interior. The wall thermostat errors could be moderated by including temperature measurements at the window surface as an additional input in the control algorithm. This conclusion was confirmed by experiments in a dormitory room and a large shared academic workspace. © 2021 Elsevier Ltd

关键词： Thermal comfort

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Blockchain technology? Visual Art Marketing Through Non-Fungible Token (NFT) from the Perspectives of Islamic Shariah in Malaysia: A Need Assessment Analyses

Blockchain Technology? Visual Art Marketing Through Non-Fung...

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Computing and Information technology (ICCIT-1441), 2020 International Conference on

作者： Ishak Ramli Mohamad Noorman Masrek Mohd Daud Abdul Rahim Thuraiya Mohd Mohd Ashrof Zaki Yaacob Mohd Radzuan Mohd Rafee Issarezal Ismail Mohamad Rahimi Osman Mohd Khalik Mustafa Muhammad Redza Rosman Program of Fine Art College of Creative Arts Universiti Teknologi MARA Perak Branch Perak Malaysia School of Information Management College of Computing Informatics and Mathematic Universiti Teknologi MARA Shah Alam Selangor Malaysia Program of Fine Art College of Creative Arts Universiti Teknologi MARA Perak Branch Seri Iskandar Campus Perak Malaysia Program of Real Estate Management College of Buit Environment Universiti Teknologi MARA Perak Branch Seri Iskandar Campus Perak Malaysia Division of Zakat Charity and Waqf Academy of Contemporary Islamic Studies Universiti Teknologi MARA Shah Alam Selangor Malaysia Program of Photography College of Creative Arts Universiti Teknologi MARA Perak Branch Seri Iskandar Campus Perak Malaysia Academy of Contemporary Islamic Studies Universiti Teknologi MARA Shah Alam Selangor Malaysia Program of Fashion Design College of Creative Arts Universiti Teknologi MARA Perak Branch Seri Iskandar Campus Perak Malaysia Program of Building Technology College of Built Environment Universiti Teknologi MARA Perak Branch Seri Iskandar Campus Perak Malaysia

ISBN: (数字)9798350353839

ISBN: (纸本)9798350353846

The development of blockchain technology across the globe has seen to be vast, including those related to visual arts. In Islam, anything new: especially those that never existed before, needs to be, obligatory discussed from the Islamic Shariah perspective. Therefore, the vast development of blockchain technology relating to non-fungible token (NFT) towards marketing visual art needs assessment from the Islamic Shariah perspective as there has not been any empirical studies carried out towards it. This paper intends to discuss a need assessment analyses regarding marketing visual art through the NFT platform blockchain technology from the Islamic Shariah perspective in Malaysia. Using the systematic literature review technique, researchers have discussed briefly regarding the development of visual arts, NFT and its trend, and reviewing Islamic perspectives on NFT. As a result, it is necessary for the Islamic Council of Malaysia to explain in detail the marketing of visual arts through NFT. A proper paperwork is crucial to give an overview on the practices regarding NFT that are 1) crypto currency; 2) artwork visual appearance; 3) copyright and consent issue; 4) pricing and value; and 5) royalty and blockchain record - to market of visual arts for Islamic Shariah assessment; in ensuring the muamalat activities amongst Muslims are centred on the faith of Islam.

关键词： Visualization Art Pricing Market research Cryptocurrency Nonfungible tokens Information technology Systematic literature review

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Design optimisation of mean room surface exitance and total corneal illuminance using Monte Carlo simulation

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building Simulation 2022年第11期15卷 1869-1882页

作者： Rizki A.Mangkuto Beta Paramita Building Physics Research Group Faculty of Industrial TechnologyInstitut Teknologi BandungBandung 40132Indonesia Architecture Study Program Faculty of Technology and Vocational EducationUniversitas Pendidikan IndonesiaBandung 40154Indonesia

In lighting design,mean room surface exitance(MRSE)has been known as an indicator of the adequacy of illumination in an indoor *** studies have suggested an exponential model relating MRSE and the observer’s retinal *** is particularly applicable in a room with homogenous room surface reflectance and a constant total corneal illuminance,which is the total illuminance received at the ***,accuracy of the exponential model is yet to be assessed in ***,the implication on interior lighting design is also yet to be *** study thus aims to assess the accuracy of the exponential model and to optimise the output *** computations using Monte Carlo simulation are performed for various input variables,followed with sensitivity and uncertainty analyses and *** errors of the exponential model are found between-10%and 6%.The MRSE is highly influenced by surface reflectance,whereas the total corneal illuminance is influenced by the source luminous *** design parameters are obtained by minimising the ratio between total corneal illuminance and ***,this study provides guidelines in lighting design practice for enhancing room spatial brightness while minimising energy use.

关键词： mean room surface exitance corneal illuminance surface reflectance design optimisation Monte Carlo simulation

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An interactive performance-based expert system for daylighting design

An interactive performance-based expert system for daylighti...

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27th International Conference on Passive and Low Energy Architecture: Architecture and Sustainable Development, PLEA 2011

作者： Gagne, Jaime M.L. Andersen, Marilyne Norford, Leslie K. Building Technology Program Massachusetts Institute of Technology Cambridge MA United States Switzerland

ISBN: (纸本)9782874632761

Architects are increasingly using digital tools during the design process, particularly as they approach complex problems such as designing for successful daylighting performance. However, while simulation tools may provide the designer with valuable information, they do not necessarily guide the user towards design changes which will improve performance. This paper proposes an interactive, goal-based expert system for daylighting design, intended for use during the early design phase. The expert system consists of two major components: a daylighting knowledge-base which contains information regarding the effects of a variety of design conditions on resultant daylighting performance, and a fuzzy rule-based decision-making logic which is used to determine those design changes most likely to improve performance for a given design. The system gives the user the ability to input an initial model and a set of daylighting performance goals in the form of illuminance and daylighting-specific glare metrics. The system acts as a "virtual daylighting consultant," guiding the user towards improved performance while maintaining the integrity of the original design and of the design process itself.

关键词： Decision making

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Diversified longevity - An architecture of disengagement and localized production

Diversified longevity - An architecture of disengagement and...

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First International Conference on Design and Nature: Comparing Design in Nature with Science and Engineering, DESIGN AND NATURE

作者： Fernandez, J.E. Building Technology Program Dept. of Architecture Massachusetts Inst. of Technology United States

The work presented here introduces and describes a new suite of concepts that regulate the designated longevity of contemporary buildings in ways that derive from the generation, metabolism and termination of life forms. The concepts of an architecture of disengagement and localized production are regulated by the Theory of Diversified Longevity for a fundamental reformulation of the designation of obsolescence for built form. Through this reconsideration of lifetimes, buildings may become more attune to, and therefore responsive of evolutionary forces that arise from user needs, economic flux, demographic changes and other contextual elements. The overall intent is to allow a greater flexibility in the accommodation of present needs while providing for anticipated and unanticipated future uses. The intent is achieved through a process that does not require the accurate prediction of any particular future scenario. The value of such a process resides in the fact that the building then possesses a range of lifetimes, and by consequence, a range of embedded attributes such as embodied energies, adaptive reuse possibilities, materials systems, rearrangement options, initial cost and durability. Each section of the building carries within itself a genome that specifies its longevity and determines its service life. The theory is applied to an ongoing design commission for which the research project team is involved.

关键词： Architectural design

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Mapping comfort: An analysis method for understanding diversity in the thermal envirnoment

Mapping comfort: An analysis method for understanding divers...

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13th Conference of the International building Performance Simulation Association, BS 2013

作者： Webb, Amanda L. Department of Architecture Massachusetts Building Technology Program Institute of Technology Cambridge MA United States

This paper describes the development and uses of a new software program called cMap that calculates and visualizes thermal comfort parameters throughout a space and over time. While some existing tools provide comfort calculations either over space or throughout time, cMap provides both calculations, providing a more complete picture of our thermal environment. Since the program works as a companion to EnergyPlus, a cMap analysis can be performed quickly, fitting into existing analysis workflows. Such a tool can be used to predict areas and periods of thermal discomfort, provide additional support for the use of energyefficiency measures, and promote the use of thermal diversity in the built environment. Copyright © 2011 by IPAC'11/EPS-AG.

关键词： Software engineering

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Sustainable engineering: The future of structural design

Sustainable engineering: The future of structural design

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2005 Structures Congress and the 2005 Forensic Engineering Symposium - Metropolis and Beyond

作者： Ochsendorf, J.A. Building Technology Program Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139

Structural engineers face significant challenges in the 21st century and among them, global environmental challenges must be a priority for our profession. On a planet with finite natural resources and an ever-growing built environment, engineers of the future must consider the environmental, economic, and social sustainability of structural design. To achieve a more sustainable built environment, engineers must be involved at every stage of the process. To address the broad issue of sustainability for structural engineers, this paper is divided into three sections: 1) Global environmental impact: The trends in steel and concrete consumption worldwide illustrate the growing environmental impact of structural design. In particular, the emissions of greenhouse gases due to structural materials are a primary global concern that all structural engineers should consider. 2) Solutions for today: There are many steps that each structural engineer can take to mitigate the environmental impact of structural design. Furthermore, there is growing demand for engineers who are knowledgeable of environmental issues in construction. This section presents several options that are available today for engineers interested in reducing environmental impacts. Case studies will illustrate examples of more sustainable structural design. 3) Challenges for the future: Although short-term solutions exist to reduce the environmental impact of construction, there are significant long-term challenges that we must address as a profession. By facing these challenges, we can take a leadership role in matters of vital global importance. In summary, the paper identifies the global sustainability challenges facing our profession and suggests possible solutions. The conclusion is that structural engineering has an enormous global environmental impact and our profession should work harder to offer solutions to society. Working for a more sustainable built environment is in the best interest of our prof

关键词： Structural design

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Flax fiber reinforced concrete - A natural fiber biocomposite for sustainable building materials

Flax fiber reinforced concrete - A natural fiber biocomposit...

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First International Conference on High Performance Structures and Composites, HIGH PERFORMANCE STRUCTURES AND COMPOSITES 2002

作者： Fernandez, J.E. Building Technology Program Dept. of Architecture Massachusetts Inst. of Technology United States

An optimized flax fiber reinforced concrete (FFRC) was studied. The mechanical results were intended as a demonstration of the use of natural fiber reinforced concretes (NFRCs) for buildings in developing regions with access to significant sources of cellulose fibers and small-scale industrial capacity to process them. Results from mechanical laboratory testing yielded positive conclusions regarding the increased strength and toughness of the natural fiber-reinforced concrete. It was found that, an increase in the shear strength of structural members composed of the flax fiber reinforced concrete offers strategies may lead to substantial savings in construction materials, especially steel.

关键词： Fiber reinforced materials

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Sustainable performance of an alternative energy system for rural houses in the United States

Sustainable performance of an alternative energy system for ...

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Construction and building Research Conference of the Royal Institution of Chartered Surveyors, COBRA 2007

作者： Ospina-Alvarado, Angelica Castro-Lacouture, Daniel Building Construction Program Georgia Institute of Technology Atlanta GA United States

ISBN: (纸本)9781842193570

This paper presents the preliminary research on the sustainable performance of an alternative energy system for rural houses in the Appalachian region in the United States. The system is composed of solar panels, an ammonia electrolytic cell, and a fuel cell. An index was developed to measure the sustainable performance of the proposed system in comparison to conventional energy sources. This index addresses the appraisal of each source of energy by measuring its sustainable performance and the factors that influence the users' decision making process for its adoption. Through literature review it was found that the most important criteria regarding sustainable performance are economic performance, energy consumption, and environmental impact. In order to identify the factors that influence the user's decision making process of adopting a source of energy two surveys have been conducted. It was found that cost, reliability, environmental impact, safety, space and maintenance are factors that should be included in the index.

关键词： Fuel cells

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