Lucy Kiruri

Position: Lecturer
Department: Chemistry
Contact Address: P.O. Box 43844-00100, Nairobi, Kenya
Area of Specialization: Physical/Computational Chemistry
Research Interests: General area of Computational Chemistry. Structures, energetics, and reactivity of environmentally important compounds. Catalysis and electron transfer on metal oxide clusters.
Google Scholar
ORCID:https://orcid.org/0000-0003-3433-3543
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Publications

  • Nawras Osman, Mahir Mohammed, Calvin A Omolo, Usri H Ibrahim, Mohammed A Gafar, Sanjeev Rambharose, Nikita Devnarain, Lucy W. Kiruri, Joshua Nwabuife, & Thirumala Govender. Hyaluronidase inhibitor surface-modified niosomes: An efficient strategy for antibacterial and anti-biofilm drug delivery. 2023. Materialia. doi:10.1016/j.mtla.2023.101826
  • Sifiso S Makhathini, Calvin A Omolo, Lucy W. Kiruri, Pavan Walvekar, Nikita Devnarain, Chunderika Mocktar, & Thirumala Govender. Synthesis of pH-responsive dimethylglycine surface-modified branched lipids for targeted delivery of antibiotics. 2022. Chemistry and Physics of Lipids. doi:10.1016/j.chemphyslip.2022.105241
  • Geradius Deogratias, Daniel M Shadrack, Joan JE Munissi, Grace A Kinunda, Fortunatus R Jacob, Regina P Mtei, Rose J Masalu, Issakwisa Mwakyula, Lucy W. Kiruri, & Stephen S Nyandoro. Hydrophobic π − π stacking interactions and hydrogen bonds drive self-aggregation of luteolin in water. 2022. Journal of Molecular Graphics and Modelling. doi:10.1016/j.jmgm.2022.108243
  • Victoria O Fasiku, Calvin A Omolo, Lucy W. Kiruri, Nikita Devnarain, Mbuso Faya, Chunderika Mocktar, & Thirumala Govender. A hyaluronic acid-based nanogel for the co-delivery of nitric oxide (NO) and a novel antimicrobial peptide (AMP) against bacterial biofilms. 2022. International Journal of
    Biological Macromolecules. doi:10.1016/j.ijbiomac.2022.02.099
  • Peter Kirenga, Stelyus L Mkoma, Sixberth Mlowe, Yohana Msambwa, Lucy W. Kiruri, Fortunatus R Jacob, James E Mgaya, Grace A Kinunda,& Geradius Deogratias. Influence of heteroatoms on the optoelectronic properties of triphenylamine-based dyes for DSSCs application: A computational approach. 2022. Computational and Theoretical Chemistry. doi:10.1016/j.comptc.2022.113644
  • Stelyus L. Mkoma, Yohana Msambwa, Fortunatus R. Jacob, Lucy W. Kiruri, Grace A. Kinunda, Sixberth Mlowe & Geradius Deogratias. Optical and electronic properties of para-functionalized triphenylamine-based dyes: a theoretical study. 2021. Structural Chemistry.
    doi:10.1007/s11224-021-01837-4
  • Said A. H. Vuai, Mtabazi G. Sahini, Isaac Onoka,Lucy W. Kiruri and Daniel M. Shadrack. Cation-π interactions drive hydrophobic self-assembly and aggregation of niclosamide in water. 2021. Journal of RSC Advances. 11(52): 33136. doi:10.1039/D1RA05358B
  • Shadrack DM, Deogratias G, Kiruri LW, Onoka I, Vianney JM, Swai H, Nyandoro SS. Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics. 2021 Journal of Molecular Modeling. 27(8):221. doi:10.1007/s00894-021-04833-x
  • Shadrack DM, Kiruri LW, Swai H, Nyandoro SS. Solvent effects on host-guest residence time and kinetics: further insights from metadynamics simulation of Toussaintine-A unbiding from chitosan nanoparticle. 2021 Journal of Molecular Modeling27(5):127. doi:10.1007/s00894-021-04735-y
  • Daniel M. Shadrack, Geradius Deogratias, Lucy W. Kiruri, Hulda S. Swai, John-Mary Vianney, Stephen S. Nyandoro. Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms, 2021. Journal of Molecular Graphics and Modelling. 107871, ISSN 1093-3263. doi:10.1016/j.jmgm.2021.107871
  • Noureen Siraj, Susmita Das, Farhana Hasan, Chengfei Lu, Lucy W Kiruri, Karen E Steege Gall, Isiah M Warner. Enhanced S 2 emission in carbazole-based ionic liquids, 2015. RSC Advances, 5(13): 9939–9945 doi:10.1098/rspb.2019.2950
  • James R. Reed, George F. Cawley, Taylor G. Ardoin, Barry Dellinger, Slawomir M. Lomnicki, Farhana Hasan, Lucy W. Kiruri, Wayne L. Backes.Environmentally persistent free radicals inhibit cytochrome P450 activity in rat liver microsomes, 2014. Toxicology and Applied Pharmacology, 277(2):200–209. doi:10.1016/j.taap.2014.03.021
  • Lucy W. Kiruri, Lavrent Khachatryan, Barry Dellinger, and Slawo Lomnicki. Effect of Copper Oxide Concentration on the Formation and Persistency of Environmentally Persistent Free Radicals (EPFRs) in Particulates, 2013. Environmental Science & Technology, 48(2):2212–2217. doi:10.1021/es404013g
  • Noureen Siraj, Farhana Hasan, Susmita Das, Lucy W. Kiruri, Karen E. Steege Gall, Gary A. Baker, and Isiah M. Warner. Carbazole-Derived Group of Uniform Materials Based on Organic Salts: Solid State Fluorescent Analogues of Ionic Liquids for Potential Applications in Organic-Based Blue Light-Emitting Diodes, 2014. The Journal of Physical Chemistry C, 118(5):2312–2320. doi:10.1021/jp410784v
  • Matthew C. Patterson, Nathan D. Keilbart, Lucy W. Kiruri, Chad A. Thibodeaux, Slawo Lomnicki, Richard L. Kurtz, E.D. Poliakoff, Barry Dellinger, Phillip T. Sprunger. EPFR formation from phenol adsorption on Al2O3 and TiO2: EPR and EELS studies, 2013.
    Journal of Chemical Physics, 422:277-282, doi:10.1016/j.chemphys.2012.12.003
  • Lucy W. Kiruri, Barry Dellinger, and Slawo Lomnicki. Tar Balls from Deep Water Horizon Oil Spill: Environmentally Persistent Free Radicals (EPFR) Formation During Crude Weathering, 2013. Journal of Environmental Science & Technology, 47(9):4220–
    4226, doi:10.1115/1.4028353
  • Sarah Mahne, Gin C Chuang, Edward Pankey, Lucy Kiruri, Philip J Kadowitz, Barry Dellinger, Kurt J Varner. Environmentally persistent free radicals decrease cardiac function and increase pulmonary artery pressure, 2012. American Journal of PhysiologyHeart and Circulatory Physiology, 303(9):H1135–H1142, doi:10.1152/ajpheart.00545.2012
  • Lucy W. Kiruri, Gyun-Tack Bae, Barry Dellinger, and Randall Hall. A DFT Study of the Reaction of Chlorinated Phenols with Copper Oxide Clusters. In: Proceedings of Louisiana EPSCoR RII LA-SiGMA Symposium, 1-5, 2012.

Book Chapters

  • Lewis Whitehead, Evans Ogwagwa Changamu, Nina Dudnik, Patrick McCarren, Rajiv Chopra, Rem R Fazio, David Qualter, Vinod Patel, Ryan Haas, Khampoua Naovarangsy, Bhaveshkumar Gami, Christopher Harwell, Jeffry D Madura, Heather Burks, Solomon Derese, Michelle Lynn Hall, Ralph Greenberg, Sean Ohlinger, Juliette Pradon, Bryan R Henry, LindaWang, Lucy Kiruri, Colleen Dionne, Brigitta TadmorJobs, 2015. Collaborations, andWomen Leaders in the Global Chemistry Enterprise, Edition: ACS Symposium Series 1195, Chapter: 16, Publisher: ACS Books, Editors: H. N. Cheng, Marinda LiWu, Bradley D. Miller, pp.153 – 1674

Referred Learning Modules

  • Dr. Lucy Kiruri & Mugambi Gitari; (December, 2020); SCH 408 Quantum Chemistry; Digital School of Virtual and Open Learning in Collaboration with Department of Chemistry; School of Pure and
    Applied Sciences. VETTED BY: Dr. Macharia Kibe.
  • Dr. Lucy Kiruri; (December, 2020); SCH 309 Introduction to Photochemistry; Digital School of Virtual and Open Learning in Collaboration with Department of Chemistry; School of Pure and Applied Sciences. VETTED BY: Dr. Isaac Mwangi.

Non - Reviewed Conference Papers

  • Lucy W. Kiruri, Gyun-Tack Bae, Barry Dellinger, and Randall Hall. A DFT Study of the Reaction of Chlorinated Phenols with Copper Oxide Clusters. In: Proceedings of Louisiana EPSCoR RII LA-SiGMA
    Symposium, 1-5, 2012.

Scholarly Presentation at Conferences/Workshops/Seminars

  • Summer School- Training Workshop on Quantum Mechanics and Molecular Dynamics Simulations at the University of Dar es Salaam Chemistry Department, Tanzania from 07 – 11 October, 2021 (Invited Lectures)
  • ”Targeting COVID-19 Main Pro: A Computational Drug Repurposing Study”. September 11th; 2021; Kenya Chemical Society (KCS), Nairobi Chapter Virtual AGM/WORKSHOP. (Talk)
  • Summer School - Molecular Dynamics and Related Methods in Biological Applications at the NM-AIST, Arusha, Tanzania from 2 – 23nd November, 2020 (Invited Lectures) 4 of 10
  • ”Molecular Dynamics Study on the Encapsulation of Herbicide Bentazon with beta-Cyclodextrins and its Derivatives”. Theme: The Need for Awareness of Areas of Research in Scientific Computing and Advancement of LearningWorkshopn. February 21st; 2020; Venue: Technical University of Kenya, Samsung Labs, J-Block, 1st Floor, Room 17. (Talk)
  • The 2019 Centre for High Performance Computing (CHPC) National Conference held at the Birchwood Conference Centre, Johannesburg, South Africa, from 1 - 5 December 2019. (Attendance)
  • Co-Organizer, School on Biophysical Approaches to Macromolecules and Cells: Integrated Tools for Life Sciences and Medicine, 9 – 20th September, 2019. School venue: NM-AIST, Arusha, Tanzania (Invited Lectures)
  • Pan African Chemistry Network Congress 2018: Managing resources through Chemistry: Wealth not Waste. 6 - 8 November, 2018. University of Nairobi, Kenya. (Attended)
  • Reviving the African Physical Society; A tribute to Professor Francis Allotey & Formal Inauguration of the ICTP-East African Institute for Fundamental Research (EAIFR) 17 – 19, October 2018. East Africa Institute of Fundamental Research (EAIFR) University of Rwanda, Kigali, Rwanda. (Talk)
  • First school on atomistic simulation of biomolecules and material science in Tanzania 3 – 23nd September, 2018 at the NM-AIST, Arusha, Tanzania (Invited Lectures)
  • Revisiting the KWK peptide dynamics using Four selected Force-fields. Conference on Atomistic Simulations of Biomolecules: towards a Quantitative Understanding of Life Machinery (smr 2828). 6 – 10 March, 2017. ICTP Leonardo de Vinci Building, Euler Lecture Hall, Trieste, Italy. (Talk)
  • Participated in the OpenLab Workshop for sub-saharan Africa Scientists ”Introduction to Computational Chemistry, September 7 - 9, 2015. Kenyatta University, Kenya.
  • ”Formation and Stabilization of Enviromentally Persistent Free Radicals (EPFRs) A DFT study”. February 22nd 2014) Kenya Chemical Society, AGM/WORKSHOP in the School of Physical Sciences Boardroom, Chiromo Campus, University of Nairobi. (Talk)
  • Attended a virtual workshop on SPAS Staff Training on Development and Implementation of the Competency Based Curriculum by Association for Faculty Enrichment in Learning and Teaching (AFELT) on 5 − −6th May, 2021 (Virtual attendance).
  • Novel Peptides as Potent Inhibitors of SARS-CoV-2 that work by Two distinct mechanisms: Molecular Docking and Dynamics Approach. Virtual Conference on 2020 CHPC National Conference held on 30 Nov – 2 Dec 2020. (Virtual talk)
  • Lucy W. Kiruri, Slawo Lomnicki, and Barry Dellinger,(October 15 - 17; 2013). Effects of Metal Concentration on EPFRs Yield, Persistency, and OH Radical Generation. Superfund Research Program 2013 Annual Meeting in Hilton Baton Rouge Capitol Center, Baton Rouge, LA (USA). (Talk)
  • Lucy W. Kiruri, Barry Dellinger, and Randall Hall (June 14th, 2013). The Extent of Copper Reduction during Formation of EPFRs: A DFT study. At Louisiana State University, Baton Rouge, LA (USA). (Talk)
  • Lucy W. Kiruri, Barry Dellinger, and Randall Hall (June 12 - 13; 2013). A density functional study of the reactions of 2-Chlorophenol, 1; 2-Dichlorobenzene, Chlorobenzene with CuO - Cu8O8 clusters. 2nd Annual Annual High Performance Computing User Symposium, Louisiana State University - Baton Rouge,LA (USA). (Poster)
  • Lucy W. Kiruri, Barry Dellinger, and Slawo Lomnicki (May, 14 - 18; 2013). Effect of Cu(II)O concentration in Cu(II)O/Silica particles on the formation of environmentally persistent free radicals (EPFRs) and reactive oxygen species(ROS). 13th International Congress on Combustion By-Products and their Health Effects, New Orleans, LA (USA). (Talk)
  • LucyW. Kiruri, Barry Dellinger, and Slawo Lomnicki (October 21 - 24; 2012). Formation And Stabilization Of Combustion-Generated, Environmentally Persistent Radicals On Alumina Surfaces. The 25th Annual Meeting of the Superfund Research Program Marriot City Center - Raleigh, NC (USA). (Talk)
  • Lucy W. Kiruri, Gyun-Tack Bae, Barry Dellinger, and Randall Hall (July, 2012). Copper Oxide-Cluster Model of Environmentally Persistent Free Radicals Formation. LA-SiGMA & LA-EPSCoR Annual Symposium, Baton Rouge, LA (USA). ((Poster)
  • Lucy W. Kiruri, Barry Dellinger, and Randall Hall (July, 2012). Global Reaction Route Mapping (GRRM): Study of Al2O3 Isomers. Paper presented at the 2nd Annual LA-SiGMA Graduate Students Retreat, Tulane University, LA (USA). (Talk)
  • Lucy W. Kiruri, Barry Dellinger, and Slawo Lomnicki (June, 2011). Environmentally Persistent Free Radicals in Soot and Bottom Ash from ControlledWood Burning. 12th International Congress on Combustion By-Products and their Health Effects, Hangzhou, China. (Poster)
  • Lucy W. Kiruri, Gyun-Tack Bae, Barry Dellinger, and Randall Hall (June, 2011). Ab initio Studies of Reactions of Phenol and Chlorinated Phenols with Copper Oxide Clusters. 12th International Congress on Combustion By-Products and their Health Effects, Hangzhou, China. (Poster)
  • Attended ”Understanding and meeting information and technology needs to prevent exposures to engineered nanoparticles”. 5 − 7th June, 2013, Southeastern Louisiana University, Hammond, LA (USA).
  • Attended ”LA-SiGMA All-hands Meetings, EPSCoR RII”. 5th August, 2011, Louisiana Board of Reagents, Baton Rouge, LA (USA).
  • Attended ”Introduction to Computational Thinking Workshop”. 31st July - 6th August, 2011, Louisiana State University, Baton Rouge, LA (USA).
  • Attended ”Density Functional Theory Workshop”. 23 − 27th July, 2011, Louisiana State University, Baton Rouge, LA, (USA).
  • Attended ”NWChem Workshop”. 8 − 9th June, 2012, Louisiana State University, Baton Rouge, LA (USA).