Research and Development

@article{Bondoc2025,

title = {Bimetallic Hierarchical Zeolite Synthesis for the Heterogeneous Fenton-like Degradation of Acid Orange 7 in Aqueous Solution},

author = {Erin Bondoc and Ronaldo Fabicon},

doi = {10.56899/154.04.04},

issn = {0031-7683},

year  = {2025},

date = {2025-08-00},

journal = {Philipp J Sci},

volume = {154},

number = {4},

publisher = {Science and Technology Information Institute},

abstract = {Bimetallic iron-copper catalysts supported in porous material have attracted attention for the

improvement of the Fenton reaction to remove organic pollutants in water and in wastewater

systems. Moreover, several studies shed light on the effectiveness of hierarchical zeolites as a

solid support for the bimetallic catalyst, which addresses the metal sludge formation and acidic

limitation of a classical homogeneous Fenton system. This study presented a simple and faster

preparation of a hierarchical zeolite HZSM-5 by the microwave-assisted route through the

one-pot soft templating method. The prepared HZSM-5 reported a smaller particle size and

larger surface area, which is ideal for inorganic catalysis compared to a conventional ZSM-

5. Iron and copper metals were effectively incorporated in the HZSM-5 by incipient wetness

impregnation, as confirmed by X-ray diffraction analysis. The catalytic activity of the prepared

iron-copper zeolite (FeCu-HZSM-5) samples for Fenton-like reactions was evaluated at different

pH conditions against the azo dye, Acid Orange 7. In this study, immediate dye removal of AO7

was achieved by all the bimetallic catalysts, FeCu-HZSM-5, at basic conditions. Furthermore,

almost complete dye removal was achieved by all the FeCu-HZSM-5 with different Fe:Cu ratios

after 3 d of reaction time. This demonstrated the satisfactory removal efficiency of AO7 by the

synthesized zeolite incorporated with iron and copper.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Pineda2025,

title = {agriCHEMture: An Innovative Approach in Enhancing Students’ General Chemistry Achievement Through Remote Urban Gardening-Themed Laboratory Work},

author = {Jeremias Pineda and Armando Guidote},

doi = {10.30722/32.06.002},

issn = {2200-4270},

year  = {2025},

date = {2025-04-14},

journal = {IJISME},

volume = {32},

number = {6},

publisher = {The University of Sydney Library},

abstract = {Urban gardening has been used as a practical theme for science education. However, limited research exists on the use of this theme for remote delivery of laboratory education during the COVID-19 pandemic. Thus, this study investigated the effects of introducing agriCHEMture—a home-based, urban gardening-themed science laboratory e-learning material—on students' General Chemistry achievement within a remote learning environment. A quasi-experimental one-group pre-test and post-test research design was utilised. Fifty-one senior high school General Chemistry students participated in the study. The agriCHEMture was provided to students as an intervention material between the pre-test and post-test. The two-tailed paired-samples t-test (p < 0.001, 𝛼 = 0.05) showed a significant difference between pre-test and post-test scores, while the one-tailed paired-samples t-test confirmed that post-test scores were significantly higher (p < 0.001, 𝛼 = 0.05). Both tests reveal a significant increase in students' General Chemistry achievement. Overall, the study highlights the effectiveness of the agriCHEMture e-learning material in a remote learning setting. It also informs science educators of an innovative approach to teaching remote science laboratory education.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{kang2025evaluating,

title = {Evaluating the Calcium Bioavailability of a Local Fluoride Varnish via Calcium Release},

author = {Giselle Grace Lim-Co Yu Kang and Thelma Jane Parreñas and Niña Paula Nolasco},

url = {https://pejard.slu.edu.ph/vol.15/2025.08.04.pdf},

issn = {2449-3694},

year  = {2025},

date = {2025-01-01},

urldate = {2025-01-01},

journal = {Journal for Applied Research and Development Philippine e-Journal for Applied Research and Development},

volume = {15},

number = {2025},

pages = {45-50},

abstract = {Fluoride varnish used in dental caries management acts as a fluoride reservoir to ensure a steady supply of fluoride ions necessary to prevent demineralization and promote remineralization of enamel. Its effectiveness is limited by the bioavailability of calcium and phosphate ions in the oral cavity. This study evaluated a locally manufactured fluoride varnish in light of its ability to release calcium ions. Distilled water was added to a cup containing the fluoride varnish and allowed to incubate at 37°C. The contents of the cup were collected and replenished with fresh distilled water every 30 minutes for 4 hours. The collected solutions were analyzed for calcium concentration. A large calcium concentration was initially released and the results of the cumulative calcium ion released showed an increasing trend. This positively suggests the bioavailability of calcium in the fluoride varnish formulation, highlighting its potential in effective dental caries management. },

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Cruz2024,

title = {Assessing the Lasting Impact of Co-Curricular Service Learning in Undergraduate Chemistry},

author = {David Jonathan L. Cruz and Armando M. Guidote and Henson L. Lee Yu and Genejane M. Adarlo},

doi = {10.1021/acs.jchemed.3c01333},

issn = {1938-1328},

year  = {2024},

date = {2024-05-14},

journal = {J. Chem. Educ.},

volume = {101},

number = {5},

pages = {1932--1940},

publisher = {American Chemical Society (ACS)},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Alvarez2023,

title = {Comparative proteomics reveals anticancer compounds from \textit{Lansium domesticum} against NSCLC cells target mitochondrial processes},

author = {Michael Russelle Alvarez and Florence De Juan and Qingwen Zhou and Ian Ken D. Dimzon and Sheryl Joyce Grijaldo and Sean Sunga and Francisco Heralde and Carlito B. Lebrilla and Gladys Cherisse Completo and Ruel C. Nacario},

doi = {10.1002/cbf.3768},

issn = {1099-0844},

year  = {2023},

date = {2023-03-00},

journal = {Cell Biochemistry & Function},

volume = {41},

number = {2},

pages = {166--176},

publisher = {Wiley},

abstract = {AbstractLansium domesticum is identified as a potential source of anticancer compounds. However, there are minimal studies on its anti‐lung cancer properties as well as its mechanism of action. Here, we show the specificity of lanzones hexane (LH) leaf extracts to non‐small cell lung cancer cells (A549) compared to normal lung fibroblast cells (CCD19‐Lu) and normal epithelial prostate cells (PNT2). Subsequent bioassay‐guided fractionation of the hexane leaf extracts identified two bioactive fractions with IC50 values of 2.694 μg/ml (LH6‐6) and 2.883 μg/ml (LH7‐6). LH 6‐6 treatment (1 μg/ml concentration) also showed a significantly reduced migration potential of A549 relative to the control. Thirty‐one phytocompounds were isolated and identified using gas chromatography–mass spectrometric (MS) analysis and were then subjected to network pharmacology analysis to assess its effects on lung cancer target proteins. Using liquid chromatography‐tandem mass spectrometry proteomics experiments, we were able to show that these compounds cause cytotoxic effects through targeting mitochondrial processes in A549 lung cancer cells.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{munoz2023redesigning,

title = {Redesigning an organic laboratory course for remote learning: incorporating Lab@ Home kits and other techniques for teaching organic chemistry online},

author = {Moli Mae C Muñoz and Armando M Guidote Jr and Erwin P Enriquez and Modesto T Chua and Lea Cristina D Macaraig and John Dahrell Vilela and Dyanne Jane Duldulao and Mairene Botona and Renz Bareo},

doi = {10.26534/kimika.v34i1.21-35},

issn = {2508-0911},

year  = {2023},

date = {2023-01-01},

urldate = {2023-01-01},

journal = {KIMIKA},

volume = {34},

number = {1},

pages = {21-35},

abstract = {Many cities in the world were placed under various lockdowns to combat the spread of the COVID-19 pandemic, which also forced many schools to shift into full online mode of teaching and learning. In the Philippines, partial onsite classes only resumed after nearly 2 years of strict online classes. Of critical concern then was the teaching of laboratory courses. This necessitated the re-design of the usual laboratory experiments to a Lab@Home course to provide a semester’s worth of an organic laboratory course to college students of the Ateneo de Manila University. Here, we present a Lab@Home curriculum that covers core organic chemistry concepts, such as purification and separation of organic compounds, reactivity and qualitative tests, stereochemistry, and molecular spectroscopy (IR and NMR). This Lab@Home course involved sending boxed kits containing laboratory materials and reagents that allowed students at home to perform small-scale experiments. Aside from reinforcing key concepts in the accompanying lecture class, it also provided them with experiential learning of practical laboratory techniques such as setting up an experiment and real data collection. Safety first is maintained, and aside from providing the usual protective gear, safety is further assured with two important features: (1) the hazards classification of the reagents in the kit would not exceed the everyday life hazards of common household chemicals (e.g., kitchen cleaning reagents) and provided in very small amounts, and (2) running of experiments were done with online synchronous supervision majority of the time. The success of the course is the achievement of the CLOs, from the assessments as well as from feedback taken from surveys and interviews with students and instructors at the end of the semester. Overall student performance showed an average final grade of 85%, and student response to the curriculum was generally positive. Further improvements should be implemented to make experiments more enriching and ensure Lab@Home can become an effective tool for teaching remote laboratory classes.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Reyes2021,

title = {Facile Grignard Reaction Demonstration Using Molecular Sieved Dried Solvent},

author = {Jude M. Reyes and John Vincent M. Tumaneng and Gilbert U. Yu},

doi = {10.1021/acs.chas.1c00015},

issn = {1878-0504},

year  = {2022},

date = {2022-01-24},

journal = {ACS Chem. Health Saf.},

volume = {29},

number = {1},

pages = {49--53},

publisher = {American Chemical Society (ACS)},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{dayrit2021philippine,

title = {Philippine medicinal plants with potential immunomodulatory and anti-SARS-CoV-2 activities},

author = {Fabian M Dayrit and Armando M Guidote Jr and Nina Gloriani and Sheriah Laine M Paz-Silava and Irene M Villaseñor and Rene Angelo S Macahig and Mario A Tan and John Ross N Chua and Isidro C Sia},

url = {https://philjournalsci.dost.gov.ph/philippine-medicinal-plants-with-potential-immunomodulatory-and-anti-sars-cov-2-activities/},

issn = {0031-7683},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {Philippine Journal of Science},

volume = {150},

issue = {5},

pages = {999-1015},

abstract = {Coronavirus disease 2019 (COVID-19) continues to devastate the world’s health and economy, affecting all aspects of life leading to widespread social disruption. Even as several vaccines have been developed, their availability in developing countries is limited and their efficacy against the variants of SARS-CoV-2 (severe acute respiratory syndrome–coronavirus 2) needs to be continuously assessed. The World Health Organization (WHO) has acknowledged that vaccines alone will not overcome the global challenges of COVID-19. Medicinal plants may provide the needed support. Herein, we identify Philippine medicinal plants that possess phytochemicals with potential anti-SARS-CoV-2 activity and/or immunomodulatory properties that may strengthen one’s immune system against COVID-19. These plants were selected from 100 of the best-studied Philippine medicinal plants with antiviral and immunomodulatory properties. The general antiviral and specific anti-SARS-CoV-2 activities and immunomodulatory properties of the phytochemicals that these plants contained were searched. While many compounds assessed individually using in vitro and in silico techniques suggest potential anti-SARS-CoV-2 or immunomodulatory effects, this review sought to identify the medicinal plants which contain these compounds and which, based on literature, have the best potential application against COVID-19. These plants are Allium spp. bulbs (bawang), Andrographis paniculata (Burm.f.) Nees leaves (sinta), Cocos nucifera L. oil (niyog), Euphorbia hirta L. leaves (tawa-tawa), Euphorbia neriifolia L. leaves (sorosoro), Moringa oleifera Lam. leaves (malunggay), Ocimum basilicum L. leaves (balanoy), Piper nigrum L. seeds (paminta), Vitex negundo L. leaves (lagundi), and Zingiber officinale Roscoe rhizome (luya). This review provides a shortlist that can guide research on possible solutions to COVID-19 using Philippine medicinal plants.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gotangco2020,

title = {Factors influencing disaster risk and resilience education in Asian HEIs},

author = {Charlotte Kendra Z. Gotangco and Jean Meir Jardeleza and Crisanto M. Lopez and Elirozz Carlie D. Labaria and Julia Wickert and Fathmath Shadiya },

url = {https://www.emerald.com/insight/content/doi/10.1108/IJDRBE-05-2020-0040/full/html},

doi = {10.1108/IJDRBE-05-2020-0040},

issn = {1759-5908},

year  = {2020},

date = {2020-11-18},

journal = {International Journal of Disaster Resilience in the Built Environment},

abstract = {Purpose

Educational initiatives can provide the crucial foundation for capacity-building of stakeholders in the field of disaster risk management and disaster resilience. The purpose of this paper is to scope current initiatives to deliver disaster risk and resilience education (DRRE) in higher education institutions (HEIs) in Asia and explore factors that serve as barriers or as opportunities for promoting DRRE.



Design/methodology/approach

This study implemented mixed methods – scoping of existing programs of Asian universities, an online survey and a small-group workshop of Asian HEI representatives – and explored both the development and implementation phases of degree programs and coursework and other educational initiatives. Primarily involved were country partners of the Erasmus + CABARET network (CApacity-Building in Asia for Resilience EducaTion).



Findings

Results reflect that most of the existing formal degree programs are at the graduate level though a wide range of courses and research opportunities exist for both the undergraduate and graduate levels. Findings underscore the importance of institutional support from university leaders as a key factor for overcoming barriers, given the resources and logistics needed by DRRE as an interdisciplinary and multi-sectoral endeavor. Universities who participated in the small-group workshop gave mixed feedback on the level of adequacy of the potential drivers for DRRE, which indicates the need to level off capacities and expertise in the region.



Originality/value

This study provides a baseline assessment of DRRE currently lacking for the region, with recommendations for how to further build capacities of Asian HEIs.},

keywords = {disaster resilience, disaster risk, disaster risk management, education, higher education institutions},

pubstate = {published},

tppubtype = {article}

}

@article{Suzuki2020b,

title = {Asymmetric Reactions in Water Catalyzed by L-Proline Tethered on Thermoresponsive Ionic Copolymers},

author = {Noriyuki Suzuki and Daisuke Mizuno and Armando M. Guidote and Shun Koyama and Yoshiro Masuyama and Masahiro Rikukawa},

doi = {10.2174/1570178616666190819141307},

issn = {1570-1786},

year  = {2020},

date = {2020-09-17},

journal = {LOC},

volume = {17},

number = {9},

pages = {717--725},

publisher = {Bentham Science Publishers Ltd.},

abstract = {



L-Proline was covalently tethered on thermoresponsive ionic block copolymers that formed

micelles in aqueous solutions. The block copolymers consisted of a poly(N-isopropylacrylamide)

(PNIPAAm) segment and an anionic or cationic polymer segment. These copolymers exhibited lower

critical solution temperature (LCST) behavior at ca. 35-40°C, and achieved thermal stimuli-induced

formation and dissociation of micelles. The copolymer generated micelles in aqueous solution at a

higher temperature, where a catalytic aldol reaction proceeded with high diastereo- and enantioselectivities.

The micelles dissociated at lower temperature to form a clear solution such that the products

could be efficiently extracted from the aqueous reaction mixture. Extraction of the aldol product with

an organic solvent from the aqueous solution of the anionic copolymer was more efficient than from

the nonionic copolymer solution.

},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Suzuki2020,

title = {Asymmetric Reactions in Water Catalyzed by L-Proline Tethered on Thermoresponsive Ionic Copolymers},

author = {Noriyuki Suzuki and Daisuke Mizuno and Armando M. Guidote Jr. and Shun Koyama and Yoshiro Masuyama and Masahiro Rikukawa},

url = {http://www.eurekaselect.com/node/174298/article},

doi = {10.2174/1570178616666190819141307},

issn = {1570-1786},

year  = {2020},

date = {2020-09-07},

journal = {Letters in Organic Chemistry},

volume = {17},

number = {9},

pages = {717-725},

abstract = {L-Proline was covalently tethered on thermoresponsive ionic block copolymers that formed micelles in aqueous solutions. The block copolymers consisted of a poly(N-isopropylacrylamide) (PNIPAAm) segment and an anionic or cationic polymer segment. These copolymers exhibited lower critical solution temperature (LCST) behavior at ca. 35-40°C, and achieved thermal stimuli-induced formation and dissociation of micelles. The copolymer generated micelles in aqueous solution at a higher temperature, where a catalytic aldol reaction proceeded with high diastereo- and enantioselectivities. The micelles dissociated at lower temperature to form a clear solution such that the products could be efficiently extracted from the aqueous reaction mixture. Extraction of the aldol product with an organic solvent from the aqueous solution of the anionic copolymer was more efficient than from the nonionic copolymer solution.},

keywords = {asymmetric aldol reaction, L-proline, michael addition, poly(N-isopropylacrylamide), polymer micelle, reaction in water, thermoresponsive polymer},

pubstate = {published},

tppubtype = {article}

}

@article{Quiambao2020,

title = {Feasibility of Modifying Existing Chemistry Demonstrations by Using Substitute Materials},

author = {Dane Mykel M. Quiambao and Armando Jr. M. Guidote and Rhodora F. Nicdao},

doi = {10.26534/kimika.v31i2.55-61},

issn = {2508-0911},

year  = {2020},

date = {2020-08-05},

journal = {KIMIKA},

volume = {31},

number = {2},

pages = {55--61},

publisher = {Philippine Federation of Chemistry Societies, Inc.},

abstract = {This study aimed to reiterate the use of Chemistry demonstrations as effective teaching tools to students while addressing some of its drawbacks, which discourages teachers from doing them such as cost and safety. Four chosen existing Chemistry demonstrations (Blue Bottle Experiment, Copper Sulfate Experiment, Blown Away, Dancing Flames) were modified by using substitute reagents, which are more accessible, relatively safer, and at lower cost. These demonstrations were chosen based on how easily the substitute reagents will be obtained. Afterwards, with the permission of a private junior high school, they were presented to a group of Grade 9 students of their choosing. The students were asked to evaluate each demonstration using a Likert scale-based questionnaire. This questionnaire rates each demonstration in terms of aesthetics, the materials and procedure done, effectiveness to explain certain Chemistry topics, safety, and the students’ overall judgment regarding the use of demonstrations as teaching tools. By converting their evaluation to quantitative values, the demonstrations scored high in all major categories. With this, it is highly recommended to explore other Chemistry demonstrations for possible modifications, which can be integrated in lecture classes.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Aguirre-Ayerbe2020,

title = {An evaluation of availability and adequacy of Multi-Hazard Early Warning Systems in Asian countries: A baseline study},

author = {Ignacio Aguirre-Ayerbe and María Merino and Seinn Lei Aye and Ranjith Dissanayake and Fathimath Shadiya and Crisanto M. Lopez},

url = {https://www.sciencedirect.com/science/article/pii/S2212420920302582},

doi = {10.1016/j.ijdrr.2020.101749},

year  = {2020},

date = {2020-07-08},

journal = {International Journal of Disaster Risk Reduction},

volume = {49},

pages = {101749},

abstract = {Early warning systems are widely considered as one of the more important aspects to reduce the impacts and consequences that hazardous natural events pose to societies. Similar to the other terms related to disaster risk reduction, this concept has evolved over time to eventually result in a comprehensive framework, that includes features from the upstream phase, such as detection and forecasting tools and models, to the downstream phase that considers a people-centred approach.



Based on this holistic conceptual framework, this paper attempts to assess the degree of adequacy and integration of early warning systems with reference to international standards using a multi-hazard perspective. The study is focused on the following Asian countries: the Maldives, Sri Lanka, Myanmar and the Philippines.



Results obtained provide an inventory of existing approaches and systems, showing common backgrounds and consistencies in their conceptualisation. In addition, the findings of this study highlight the strengths and weaknesses of Multi-Hazard Early Warning Systems in each country considering their technical, legal, and socio-economic complexities. These findings are intended to support target countries to improve the availability and effectiveness of their warning systems.},

keywords = {-},

pubstate = {published},

tppubtype = {article}

}

@article{Guidote2020,

title = {Teaching college chemistry in the time of COVID-19 pandemic: A personal account of teaching in the old normal vs. the new normal},

author = {Armando, Jr. M. Guidote},

doi = {10.26534/kimika.v31i1.70-75},

issn = {2508-0911},

year  = {2020},

date = {2020-05-12},

journal = {KIMIKA},

volume = {31},

number = {1},

pages = {70--75},

publisher = {Philippine Federation of Chemistry Societies, Inc.},

abstract = {The SARS CoV-2 (Severe Acute Respiratory Syndrome CoronaVirus 2), cause of COVID-19 (CoronaVirus Disease 2019) has afflicted close to 10 million people all over the world resulting to almost half a million deaths.  This disease is severely contagious and necessitates social or physical distancing between persons. As such, traditional face-to-face learning is not advised and teachers need to shift to online teaching.  There are challenges to online teaching and learning for students, teachers, and the higher education institute, e.g. hardware, bandwidth, and software issues. These will be difficult but these can be overcome eventually.  This work is a personal account of the old normal or traditional way of teaching Organic Chemistry and the transition to the new normal of teaching on-line.  On-line teaching can be as effective as traditional teaching but everyone has to put in effort and participate in training to get used to this. In the end, it is the teacher’s being a true teacher that matters, that the teacher teaches to the best of his or her ability even during this time of the COVID-19 pandemic.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Maini2019,

title = {Lead (II) Tolerance and Uptake Capacities of Fungi Isolated from a Polluted Tributary in the Philippines},

author = {Zomesh Artus Nath Maini and Kiara Marie J. Aribal and Regine Marinelli A. Narag and Jeorgina Kamella Luanshya T. Melad and Juan Angelo D. Frejas and Luis Alfonso M. Arriola and Pia Clarisse G. Gulpeo and Ian A. Navarrete and Crisanto M. Lopez},

url = {https://www.udspub.com/ajj/public/index.php/aeb/article/view/487/pdf},

doi = {10.26789/AEB.2019.01.004},

year  = {2019},

date = {2019-03-01},

journal = {Applied Environmental Biotechnology},

volume = {4},

number = {1},

pages = {18-29},

abstract = {The Lead [Pb(II)] tolerance and uptake ability of four fungal species, two from the genus Penicillium and two from the genus Talaromyces were investigated in this study. The species were isolated from a polluted tributary and identified to be closest to P. canescens, P. simplicissimum, T. macrosporus and another Talaromyces sp. via PCR targeting their internal transcribed spacer 1 and 4 sequences. All isolates have tolerances for up to 2000 µg/mL and 3000 µg/mL Pb(II) on solid and liquid medium, respectively. Both Penicillium isolates showed increasing removal rates dependent on initial Pb(II) concentration at 500 to 2000 µg/mL, while removal rates of both Talaromyces isolates were not significantly influenced by initial Pb(II) concentrations. The Pb(II) uptake of all isolates increased with increasing Pb(II) concentration but was depressed at 3000 µg/mL, with the exception of T. macrosporus. The recorded total uptake capacities for both Penicillium isolates in this study were higher than in most literature, at 7.0 – 407.4 mg/g and 50.8 – 412.6 mg/g for P. canescens and P. simplicissimum, respectively. The study also reported the exemplary Pb(II) uptake capacities of both Talaromyces isolates at 58.9 – 601.0 mg/g and 60.9 – 402.3 mg/g for T. macrosporus and Talaromyces sp., respectively. These results signify the excellent Pb(II) removal capabilities of all isolates which may further be developed for use as mycoremediation tools to remove Pb(II) from heavy metal contaminated environments.},

keywords = {bioaccumulation, biosorption, heavy metals, mycoremediation, tolerance index},

pubstate = {published},

tppubtype = {article}

}

@article{Galiza2018,

title = {Educational Attainment, Teaching Experience, Professional Development and Self-Efficacy as Predictors of Chemistry Content Knowledge: Implication for the Development of a National Promotion Examination},

author = {Jina Denise R. Galiza and Rhodora F. Nicdao and Armando M. Guidote Jr.},

url = {https://kimika.pfcs.org.ph/index.php/kimika/article/view/258},

doi = {10.26534/kimika.v29i2.7-22},

issn = {2508-0911},

year  = {2018},

date = {2018-12-04},

journal = {KIMIKA},

volume = {29},

number = {2},

pages = {7-22},

abstract = {This study examined teachers’ content knowledge (CK) in chemistry and its relationship to teachers’ chemistry background, teaching experience, involvement in professional development and self-efficacy It was further investigated which variables predicted  the level of content knowledge (CK) of one hundred public secondary chemistry teachers. The data shows that the majority of science teachers have low level of CK in Chemistry. Teaching experience, professional development, chemistry background, and self-efficacy  were significantly related to the CK of teachers. Teachers' professional development and self-efficacy predicted the CK of teachers.},

keywords = {chemistry background, content knowledge, professional development, self-efficacy, teaching experience},

pubstate = {published},

tppubtype = {article}

}

@article{Galiza2018b,

title = {Educational Attainment, Teaching Experience, Professional Development and Self-Efficacy as Predictors of Chemistry Content Knowledge: Implication for the Development of a National Promotion Examination},

author = {Jina Denise R. Galiza and Rhodora F. Nicdao and Armando Jr. M. Guidote},

doi = {10.26534/kimika.v29i2.7-22},

issn = {2508-0911},

year  = {2018},

date = {2018-12-04},

journal = {KIMIKA},

volume = {29},

number = {2},

pages = {7--22},

publisher = {Philippine Federation of Chemistry Societies, Inc.},

abstract = {This study examined teachers’ content knowledge (CK) in chemistry and its relationship to teachers’ chemistry background, teaching experience, involvement in professional development and self-efficacy It was further investigated which variables predicted  the level of content knowledge (CK) of one hundred public secondary chemistry teachers. The data shows that the majority of science teachers have low level of CK in Chemistry. Teaching experience, professional development, chemistry background, and self-efficacy  were significantly related to the CK of teachers. Teachers' professional development and self-efficacy predicted the CK of teachers.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Baltazar2018,

title = {Palladium-Catalyzed Carbonyl Allylation Reactions Using Tin Chloride: A Mini-Review},

author = {Mikael John A. Baltazar and Roy Kristian C. Yanela and Armando M. Guidote Jr. and Noriyuki Suzuki},

url = {https://kimika.pfcs.org.ph/index.php/kimika/article/view/254},

doi = {10.26534/kimika.v29i1.22-40},

issn = {2508-0911},

year  = {2018},

date = {2018-08-04},

journal = {KIMIKA},

volume = {29},

number = {1},

pages = {22-40},

abstract = {The treatment of allylic alcohols as synthons of carbanions for carbonyl allylation reactions in the presence of a Pd-SnCl2 system has been one of the most interesting and most useful developments demonstrated by Yoshiro Masuyama and co-workers in the field of organic synthesis. The reaction makes use of palladium as an effective catalyst and tin (II) chloride as a low-valent reducing agent which also effectively transforms the allylic group to a nucleophilic group. The organic, as well as organometallic, chemistry of how the transformations occur and how the metals take part in the reaction is of great interest. These could help allow for better optimization of reagents and solvents, for better control of the extent of reaction or yield of desired product, and for possible applications in other reaction systems. This review will focus primarily on the work of Yoshiro Masuyama and various co-workers on carbonyl allylation reactions making use of a Pd-SnCl2 system or substitutes thereof.},

keywords = {allylic alcohols, organometallic chemistry, palladium catalysis, tin chloride reduction},

pubstate = {published},

tppubtype = {article}

}

@article{Baltazar2018b,

title = {Palladium-Catalyzed Carbonyl Allylation Reactions Using Tin Chloride: A Mini-Review},

author = {Mikael John A. Baltazar and Roy Kristian C. Yanela and Armando, Jr, M. Guidote and Noriyuki Suzuki},

doi = {10.26534/kimika.v29i1.22-40},

issn = {2508-0911},

year  = {2018},

date = {2018-06-06},

journal = {KIMIKA},

volume = {29},

number = {1},

pages = {22--40},

publisher = {Philippine Federation of Chemistry Societies, Inc.},

abstract = {The treatment of allylic alcohols as synthons of carbanions for carbonyl allylation reactions in the presence of a Pd-SnCl2 system has been one of the most interesting and most useful developments demonstrated by Yoshiro Masuyama and co-workers in the field of organic synthesis. The reaction makes use of palladium as an effective catalyst and tin (II) chloride as a low-valent reducing agent which also effectively transforms the allylic group to a nucleophilic group. The organic, as well as organometallic, chemistry of how the transformations occur and how the metals take part in the reaction is of great interest. These could help allow for better optimization of reagents and solvents, for better control of the extent of reaction or yield of desired product, and for possible applications in other reaction systems. This review will focus primarily on the work of Yoshiro Masuyama and various co-workers on carbonyl allylation reactions making use of a Pd-SnCl2 system or substitutes thereof.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Dimzon2018,

title = {Trace organic chemical pollutants from the lake waters of San Pablo City, Philippines by targeted and non-targeted analysis},

author = {Ian Ken D. Dimzon and Ann Selma Morata and Janine Müller and Roy Kristian C. Yanela and Stephan Lebertz and Heike Weil and Teresita R. Perez and Fabian M. Dayrit and Thomas P. Knepper},

url = {https://www.sciencedirect.com/science/article/abs/pii/S0048969718318680},

doi = {10.1016/j.scitotenv.2018.05.217},

year  = {2018},

date = {2018-05-26},

journal = {Science of The Total Environment},

volume = {639},

pages = {588-595},

abstract = {More than half of the freshwater lakes in the Philippines are small with surface areas of <2 km2. The dynamics in these lakes are different from those in the bigger lakes. This study was conducted to determine the organic pollutants and their sources in three of the seven lakes of San Pablo City in Laguna, Philippines: lakes Palakpakin, Sampaloc, and Pandin. Gas Chromatography-Mass Spectrometry (GC–MS) and Liquid Chromatography - Tandem Mass Spectrometry (LC-MS/MS) were used in the targeted and non-targeted analysis of the lake water samples. The three lakes are all volcanic crater lakes but are exposed to different anthropogenic activities, which includes domestic activities, livelihood (farming and aquaculture) and eco-tourism.



Due to the presence of rice fields and fruit plantations, chlorpyrifos was detected in the three lakes while other pesticides like cypermethrin, picolinafen and quinoxyfen were additionally found in Lake Sampaloc, which is the biggest of the three lakes and located within the urbanized section of the city. Traces of different surfactants (linear alkylbenzene sulfonates, secondary alkyl sulfonates, alkyl sulfates, alkyl ether sulfates), biocide benzalkonium chloride, insect repellent diethyltoluamide, antibiotics (sulfadiazine and sulfamethoxazole), hypertension drug telmisartan, phosphate-based fire retardants, and artificial sweeteners (acesulfame, cyclamate, saccharin and sucralose) were detected in lakes Sampaloc and Palakpakin. The same surfactants, artificial sweeteners, insect repellant and phosphate-based fire retardants were also found in Lake Pandin, which is mainly used for eco-tourism activities like swimming and boating.



The results of this study suggest that the organic pollutants present in the small lakes can be linked to the various human activities in the immediate lake environment. Because small lakes are more prone to environmental stresses, human activities in the said lakes must be regulated to ensure sustainable development.},

keywords = {aquaculture, artificial sweeteners, pesticides, Philippines, small lakes, surfactants},

pubstate = {published},

tppubtype = {article}

}

@article{Mongcal2017,

title = {Assessing In-service Teachers’ Chemistry Content Knowledge and Self-efficacy in Teaching the K to 12 Science Curriculum},

author = {Yna Camille A. Mongcal and Queena N. Lee-Chua and Armando M. Guidote Jr.},

url = {https://kimika.pfcs.org.ph/index.php/kimika/article/view/236},

doi = {10.26534/kimika.v28i2.13-21},

issn = {2508-0911},

year  = {2017},

date = {2017-12-19},

journal = {KIMIKA},

volume = {28},

number = {2},

pages = {13-21},

abstract = {As the K to 12 Science program was formally implemented, interventions to enhance competence and confidence of teachers in teaching science in a spiral progression approach are main concerns. This study aims to assess the chemistry content knowledge and self-efficacy of 38 in-service teachers enrolled in a graduate program from a teacher education institution using a content knowledge test (CKT) and a self-efficacy beliefs scale (SeS) using a mixed-method approach. Quantitative findings reveal that the least mastered topics in chemistry of the teacher-respondents include solutions, chemical bonding, the mole concept, gas laws, and chemical reactions. The science teachers say they are “somewhat confident” in teaching the chemistry topics. Qualitative findings include difficulties in answering the CKT and challenges encountered in teaching chemistry using the K to 12 science curriculum. In the needs analysis, key findings in the results of focus group discussion are used to verify quantitative findings. The correlation between content knowledge and self-efficacy beliefs is r = -0.12, with findings showing a negligible to low correlation. This implies that even if teachers perceive that they are “somewhat confident” in teaching chemistry topics, such beliefs do not match their content knowledge scores. Valid findings are based on the CKT results and further suggest that the CKT (not the SeS) is a good measure in determining the content learning needs of teachers.},

keywords = {content knowledge, educational reform, self-efficacy, teacher competence},

pubstate = {published},

tppubtype = {article}

}

@article{Peruelo2017,

title = {Preparation, characterization of chitosan/bamboo charcoal/poly(methacrylate) composite beads},

author = {Dorothy Caminos-Peruelo and Wei-Chieh Wang and Tsung-Shune Chin and Regina C. So and Ronaldo M. Fabicon and Ming-Fa Hsieh},

url = {https://link.springer.com/article/10.1007/s12034-017-1464-3},

doi = {10.1007/s12034-017-1464-3},

year  = {2017},

date = {2017-09-22},

journal = {Bulletin of Materials Science},

volume = {40},

pages = {1179-1187},

abstract = {Preparation and characterization of a low-cost, novel steam-activated bamboo charcoal (BC) and poly(methacrylate) (PMAA) bound with chitosan (CTS) to form chitosan/bamboo charcoal/poly(methacrylate) (CTS/BC/PMAA) composite beads is reported for the first time in this paper. The characteristics are revealed by techniques such as X-ray photoelectron spectroscopy (XPS), thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC), scanning electron microscopy (SEM), Brunauer Emmett Teller (BET), solution pH and pH at point of zero charge (pHpzc). The composite beads possessed a dominant acidic surface group of 0.663 mmol g−1, as revealed by Boehm titration method. This acidity was confirmed by its solution pH of 6.46; pHpzc of 6.70 and increase in oxygen surface via XPS analysis. N2 adsorption–desorption isotherms at 77 K of the beads revealed high BET surface area (SA) of 681.15 m2g−1. Langmuir model affords a SA of 773.34 m2g−1. SEM showed the microporous nature of the composite beads. The properties of CTS/BC/PMAA composite beads were compared to CTS/BC and neat BC. Thermal stability and successful coating of 5.1 wt% of PMAA and 6.8 wt% of CTS to CTS/BC/PMAA beads were shown by DSC and TGA analyses. The composite beads showed low carbon particle released at pH 7.4 and 6.8. Furthermore, dynamic adsorption revealed that CTS/BC/PMAA composite beads can be used to capture a polar substance, such as creatinine.},

keywords = {bamboo charcoal/chitosan/polymethacrylate, characterization, column adsorbent, composite beads, creatinine, pH point of zero charge},

pubstate = {published},

tppubtype = {article}

}

@article{Perez2017,

title = {Content Analysis of the Discussion of the Atom in General Chemistry Textbooks Using Evaluation Criteria Based on the Nature of Science and Philosophy of Chemistry},

author = {Angelo Julian E. Perez and Armando M. Guidote Jr. and Gilbert U. Yu and Michael Ner E. Mariano},

url = {https://kimika.pfcs.org.ph/index.php/kimika/article/view/219},

doi = {10.26534/kimika.v27i2.50-62},

issn = {2508-0911},

year  = {2017},

date = {2017-02-08},

journal = {KIMIKA},

volume = {27},

number = {2},

pages = {50-62},

abstract = {Evaluation criteria are adapted from previous textbook analyses on the nature of science (NOS) in general chemistry textbooks. These criteria are used to determine how certain NOS dimensions are mentioned and elaborated in those textbooks. Such dimensions emphasize that chemistry is (1) tentative, (2) empirical, (3) model-based, (4) inferential, (5) has technological products, (6) employs instrumentation, and (7) possesses social and societal dimensions. Three book chapters were read and evaluated: the first (on chemistry in general); the second (on atomic structure); and the sixth or seventh chapters (on the electronic structure of atoms). The relevant content in each textbook were rated using the following rubric: Satisfactory and Explicit (S, 2 points); Mention and Implicit (M, 1 point); and No Mention (N, 0 point). Silberberg (2009) has the highest score among the six textbooks with 12 points out of the maximum of 14. It was rated S for five criteria, the most among the six textbooks. Despite the presence of some N evaluations, all textbooks have mentioned some or all of the NOS dimensions formulated, resulting to M and S ratings. This study concludes that NOS dimensions are already present in various ways and varying degrees in each textbook.},

keywords = {chemistry education, general chemistry, history and philosophy of science, nature of science, philosophy of chemistry, textbook analysis},

pubstate = {published},

tppubtype = {article}

}

@article{Yu2016,

title = {Cationic and Neutral Rotaxanes Having Different Functional Groups in the Axle Molecule and Their Coordination to PtII},

author = {Gilbert U. Yu and Yuji Suzaki and Kohtaro Osakada},

url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/asia.201601554},

doi = {10.1002/asia.201601554},

year  = {2016},

date = {2016-12-14},

journal = {Chemistry - An Asian Journal},

volume = {12},

number = {3},

pages = {372-377},

abstract = {Dibenzo[24]crown‐8 (DB24C8) forms rotaxanes with a linear molecule having a dialkylammonium group and a triazole group as well as with the acetylation product of a cationic axle molecule. The former cationic rotaxane is stabilized by multiple intermolecular hydrogen bonds between the NH2+ and oxyethylene groups. The neutral rotaxane contains the macrocycle in the vicinity of the terminal aryl group. The co‐conformation of both the cationic and neutral rotaxanes can be fixed by coordination of the triazole group of the axle molecule to PtCl2(dmso)2. A 1H NMR spectroscopic study on the thermodynamics of the Pt coordination revealed a larger association constant for the rotaxanes than for the corresponding axle molecules and a larger value for the neutral rotaxane than for the cationic rotaxane.},

keywords = {“click” reaction, macrocycle shuttling, platinum complex, rotaxanes, triazole ligand},

pubstate = {published},

tppubtype = {article}

}

@article{Dimzon2016,

title = {Sampling and simultaneous determination of volatile per- and polyfluoroalkyl substances in wastewater treatment plant air and water},

author = {Ian Ken D. Dimzon and Joke Westerveld and Christoph Gremmel and Tobias Frömel and Thomas P. Knepper and Pim de Voogt},

url = {https://link.springer.com/article/10.1007/s00216-016-0072-1},

doi = {10.1007/s00216-016-0072-1},

year  = {2016},

date = {2016-11-25},

journal = {Analytical and Bioanalytical Chemistry},

volume = {409},

pages = {1935-1404},

abstract = {Volatile per- and polyfluoroalkyl substances (PFASs) are often used as precursors in the synthesis of nonvolatile PFASs. The volatile PFASs, which include the perfluoroalkyl iodides (PFAIs), fluorotelomer iodides (FTIs), fluorotelomer alcohols (FTOHs), fluorotelomer olefins (FTOs), fluorotelomer acrylates (FTACs), and fluorotelomer methacrylates (FTMACs), are often produced starting from the telomerization process. These volatile compounds can be present in the air and water environment and can be transformed into highly persistent perfluoroalkyl carboxylic acids. With the exception of FTOHs, which are well studied, the determination of other volatile PFASs is also of prime importance in studying the sources and fate of PFASs. In this study, a method was developed to determine representative precursor compounds that included PFAIs, FTIs, FTOs, FTACs, and FTMACs in wastewater treatment plant (WWTP) air and water samples. The sampling and sample preparation step involved the use of solid-phase extraction (SPE) cartridges with HLB™ material to enrich the analyte. Gas chromatography with mass spectrometry was employed for the detection and quantification of the analytes. Method validation results showed high linearity and sensitivity in the positive electron ionization-selected ion monitoring mode (+EI-SIM). The absolute instrumental limits of detection were in the range of 0.5 to 2 pg. The method detection limit (MDL) in air was 1 ng/m3 with the exception of the FTACs which could be only be detected at concentrations higher than 40 ng/m3. The MDL in water was 10 ng/L. Direct spiking of the cartridges and analyte introduction by volatilization from the glass surface onto the SPE material had recoveries between 86 and 100%. The volatile PFASs were shown to readily partition into the air rather than into water. Consequently, large losses in the amount of PFASs were observed when these were spiked into the water.},

keywords = {volatile PFAS and GC-MS and WWTP and influents and effluents and air},

pubstate = {published},

tppubtype = {article}

}

@article{deJesus2016,

title = {Determinants of Curvature-Sensing Behavior for MARCKS-Fragment Peptides},

author = {Armando J. de Jesus and Ormacinda R. White and Aaron D. Flynn and Hang Yin},

url = {https://www.cell.com/biophysj/fulltext/S0006-3495(16)30168-0},

doi = {10.1016/j.bpj.2016.04.007},

year  = {2016},

date = {2016-05-10},

journal = {Biophysical Journal},

volume = {110},

number = {9},

pages = {1980-1992},

abstract = {It is increasingly recognized that membrane curvature plays an important role in various cellular activities such as signaling and trafficking, as well as key issues involving health and disease development. Thus, curvature-sensing peptides are essential to the study and detection of highly curved bilayer structures. The effector domain of myristoylated alanine-rich C-kinase substrate (MARCKS-ED) has been demonstrated to have curvature-sensing ability. Research of the MARCKS-ED has further revealed that its Lys and Phe residues play an essential role in how MARCKS-ED detects and binds to curved bilayers. MARCKS-ED has the added property of being a lower-molecular-weight curvature sensor, which offers advantages in production. With that in mind, this work investigates peptide-sequence-related factors that influence curvature sensing and explores whether peptide fragments of even shorter length can function as curvature sensors. Using both experimental and computational methods, we studied the curvature-sensing capabilities of seven fragments of MARCKS-ED. Two of the longer fragments were designed from approximately the two halves of the full-length peptide whereas the five shorter fragments were taken from the central stretch of MARCKS-ED. Fully atomistic molecular dynamics simulations show that the fragments that remain bound to the bilayer exhibit interactions with the bilayer similar to that of the full-length MARCKS-ED peptide. Fluorescence enhancement and anisotropy assays, meanwhile, reveal that five of the MARCKS fragments possess the ability to sense membrane curvature. Based on the sequences of the curvature-sensing fragments, it appears that the ability to sense curvature involves a balance between the numbers of positively charged residues and hydrophobic anchoring residues. Together, these findings help crystallize our understanding of the molecular mechanisms underpinning the curvature-sensing behaviors of peptides, which will prove useful in the design of future curvature sensors.},

keywords = {-},

pubstate = {published},

tppubtype = {article}

}

@article{Dimzon2016b,

title = {Characterization of 3-Aminopropyl Oligosilsesquioxane},

author = {Ian Ken D. Dimzon and Tobias Frömel and Thomas P. Knepper},

url = {https://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b00732},

doi = {10.1021/acs.analchem.6b00732},

year  = {2016},

date = {2016-05-03},

journal = {Analytical Chemistry},

volume = {88},

number = {9},

pages = {4894-4902},

abstract = {The synthesis routes in the production of polysilsesquioxanes have largely relied upon in situ formations. This perspective often leads to polymers in which their basic structures including molecular weight and functionality are unknown [Lichtenhan, J. D.; et al. Silsesquioxane-siloxane copolymers from polyhedral silsesquioxanes Macromolecules, 1993, 26, 2141−2142, http://dx.doi.org/10.1021/ma0060a053]. For a better understanding of the polysilsesquioxane properties and applications, there is a need to develop more techniques to enable their chemical characterization. An innovative method was developed to determine the molecular weight distribution (MWD) of an oligosilsesquioxane synthesized in-house from (3-aminopropyl)triethoxysilane. This method, which can be applied to other silsesquioxanes, siloxanes, and similar oligomers and polymers, involved separation using high performance liquid chromatography (HPLC) and detection using mass spectrometry (MS) with electrospray ionization (ESI). The novelty of the method lies on the unique determination of the absolute concentrations of the individual homologues present in the sample formulation. The use of absolute concentrations is necessary in estimating the MWD of the formulation when relative percentage, which is based solely on mass spectral ion intensities, becomes irrelevant due to the disproportionate response factors of the homologues. Determination of absolute concentration requires the use of single-homologue calibration standards. Because of commercial unavailability, these standards were prepared by efficient fractionation of the original formulation.},

keywords = {condensation, ionization, ions, mass spectrometry, silsesquioxanes},

pubstate = {published},

tppubtype = {article}

}

@article{Yu2016b,

title = {Ferrocene-containing [1]-, [2]-, [3]- and [4]rotaxanes synthesized from a common precursor},

author = {Gilbert U. Yu and Yuji Suzaki and Kohtaro Osakada},

url = {https://pubs.rsc.org/en/content/articlelanding/2016/RA/C6RA05688A},

doi = {10.1039/C6RA05688A},

year  = {2016},

date = {2016-04-26},

journal = {RSC Advances},

volume = {6},

number = {27},

pages = {41369-41375},

abstract = {The Cu-catalyzed reaction of a dialkylammonium, having ferrocenyl and hexynyl end groups, FcCH2NH2CH2C6H4–4-O(CH2)4C[triple bond, length as m-dash]CH]PF6 (Fc = Fe(C5H4)(C5H5)), with a crown ether having an azidemethyl side-arm yields a [1]rotaxane composed of a single molecule. The crystal structure of the [1]rotaxane suggests an arrangement where the 1,4-phenylene ring is tilted at 22° close to the catechol ring rather than in a parallel alignment. Another dialkylammonium with ferrocenyl and alkynyl terminal groups, [FcCH2NH2CH2C6H4–4-O(CH2)4C[triple bond, length as m-dash]CH]PF6, reacts with aromatic compounds with one to three azide groups in the presence of dibenzo[24]crown-8-ether (DB24C8) and [Cu(MeCN)4]PF6 catalyst, to afford the corresponding [2]–[4]rotaxanes. The products contain DB24C8 molecules as the cyclic components which are bound to the ammonium group of the axle component with NH⋯O hydrogen bonding. The [3]rotaxane having two triazole groups on the axle component reacts with PdCl2(MeCN)2 to yield mono- and di-palladium complexes with different conformations of the axle component.},

keywords = {-},

pubstate = {published},

tppubtype = {article}

}

@article{Santos2015,

title = {The green chemistry and Filipino approach to high school experiments in Saint Paul College Pasig},

author = {Ronald G. Santos and Armando M. Guidote Jr.},

url = {http://ijci.wcci-international.org/index.php/IJCI/article/view/33},

issn = {1562-0506},

year  = {2015},

date = {2015-11-01},

journal = {International Journal of Curriculum and Instruction},

volume = {7},

number = {2},

pages = {51-57},

abstract = {This paper is a call for teachers to initiate measures in improving the quality of high school chemistry education in the Philippines and that is by going back to practical laboratory work. The experiment presented in this paper is a proof to the possibility of tailor-made experiments that integrate principles of green chemistry. Integrating green chemistry concepts in the design of high school chemistry experiments makes students aware of the responsibility that goes with the use and production of chemicals. Moreover, the experiment was designed to consciously integrate aspects of Filipino culture, values, and traditions. Such enculturation of chemistry by giving it a Filipino flavor aims to make the students own the science and not view it as something that is highly foreign. When students can relate to the chemical concepts illuminated in their culture they become more appreciative and receptive of the science giving them meaningful and lasting learning.},

keywords = {chemistry education in the Philippines, Filipino enculturation of chemistry, green chemistry, high school chemistry experiments, practical work},

pubstate = {published},

tppubtype = {article}

}

@article{Dimzon2015,

title = {High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation},

author = {Ian Ken D. Dimzon and Xenia Trier and Tobias Frömel and Rick Helmus and Thomas P. Knepper and Pim de Voogt},

url = {https://pubs.acs.org/doi/abs/10.1021/jasms.8b05203},

doi = {10.1021/jasms.8b05203},

year  = {2015},

date = {2015-10-30},

journal = {Journal of The American Society for Mass Spectrometry},

volume = {27},

number = {2},

pages = {309-318},

abstract = {High resolution mass spectrometry (HRMS) was successfully applied to elucidate the structure of a polyfluorinated polyether (PFPE)-based formulation. The mass spectrum generated from direct injection into the MS was examined by identifying the different repeating units manually and with the aid of an instrument data processor. Highly accurate mass spectral data enabled the calculation of higher-order mass defects. The different plots of MW and the nth-order mass defects (up to n = 3) could aid in assessing the structure of the different repeating units and estimating their absolute and relative number per molecule. The three major repeating units were -C2H4O-, -C2F4O-, and -CF2O-. Tandem MS was used to identify the end groups that appeared to be phosphates, as well as the possible distribution of the repeating units. Reversed-phase HPLC separated of the polymer molecules on the basis of number of nonpolar repeating units. The elucidated structure resembles the structure in the published manufacturer technical data. This analytical approach to the characterization of a PFPE-based formulation can serve as a guide in analyzing not just other PFPE-based formulations but also other fluorinated and non-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health.},

keywords = {higher-order mass defect, HRMS, PFPE},

pubstate = {published},

tppubtype = {article}

}

@article{Wang2015,

title = {Pyridoxamine is a substrate of the energy-coupling factor transporter HmpT},

author = {Tingliang Wang and Armando J. de Jesus and Yigong Shi and Hang Yin},

url = {https://www.nature.com/articles/celldisc201514},

doi = {10.1038/celldisc.2015.14},

year  = {2015},

date = {2015-07-14},

journal = {Cell Discovery},

volume = {1},

pages = {15014},

abstract = {Energy-coupling factor (ECF) transporters belong to a novel family of proteins that forms a subset within the ATP-binding cassette (ABC) transporter family. These proteins are responsible for the uptake of micronutrients in bacteria. ECF transporters are composed of four proteins: the A- and A′-components, the T-component and the S-component. One of the ECF transporters, named HmpT, was crystallized in the apo form with all four components. It is currently unknown whether HmpT serves as a transporter for hydroxymethyl pyrimidine or the different forms of vitamin B6 (pyridoxine, pyridoxal or pyridoxamine). Using a combination of molecular dynamics (MD) simulations and mass spectrometry, we have identified pyridoxamine to be the preferred substrate of HmpT. Mass spectra show that the mass of the substrate from the HmpT–substrate complex matches that of pyridoxamine. MD simulations likewise indicate that pyridoxamine interacts most strongly with most of the conserved residues of the S-component (Glu 41, His 84 and Gln 43) compared with the other vitamin B6 forms. Furthermore, the simulations have implied that loops 1 and 5 of the S-component can participate in the gating action for HmpT.},

keywords = {ECF transporters, gating mechanism, HmpT, mass spectrometry, molecular dynamics, S-component},

pubstate = {published},

tppubtype = {article}

}

@article{Yan2015,

title = {Curvature sensing MARCKS-ED peptides bind to membranes in a stereo-independent manner},

author = {Lei Yan and Armando J. de Jesus and Ryo Tamura and Victoria Li and Kui Cheng and Hang Yin},

url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/psc.2772},

doi = {10.1002/psc.2772},

year  = {2015},

date = {2015-06-22},

journal = {Journal of Peptide Science},

volume = {21},

number = {7},

pages = {577-585},

abstract = {Membrane curvature and lipid composition plays a critical role in interchanging of matter and energy in cells. Peptide curvature sensors are known to activate signaling pathways and promote molecular transport across cell membranes. Recently, the 25‐mer MARCKS‐ED peptide, which is derived from the effector domain of the myristoylated alanine‐rich C kinase substrate protein, has been reported to selectively recognize highly curved membrane surfaces. Our previous studies indicated that the naturally occurring l‐MARCKS‐ED peptide could simultaneously detect both phosphatidylserine and curvature. Here, we demonstrate that d‐MARCKS‐ED, composed by unnatural d‐amino acids, has the same activities as its enantiomer, l‐MARCKS‐ED, as a curvature and lipid sensor. An atomistic molecular dynamics simulation suggests that d‐MARCKS‐ED may change from linear to a boat conformation upon binding to the membrane. Comparable enhancement of fluorescence intensity was observed between d‐ and l‐MARCKS‐ED peptides, indicating similar binding affinities. Meanwhile, circular dichroism spectra of d‐ and l‐MARCKS‐ED are almost symmetrical both in the presence and absence of liposomes. These results suggest similar behavior of artificial d‐ and natural l‐MARCKS‐ED peptides when binding to curved membranes. Our studies may contribute to further understanding of how MARCKS‐ED senses membrane curvature as well as provide a new direction to develop novel membrane curvature probes.},

keywords = {MARCKS‐ED, membrane curvature, simulation, unnatural peptides},

pubstate = {published},

tppubtype = {article}

}

@article{Guidote2014,

title = {Low-Cost Magnetic Stirrer from Recycled Computer Parts with Optional Hot Plate},

author = {Armando M. Guidote Jr. and Giselle Mae M. Pacot and Paul M. Cabacungan},

url = {https://pubs.acs.org/doi/10.1021/ed500153r},

doi = {10.1021/ed500153r},

year  = {2014},

date = {2014-10-22},

journal = {Journal of Chemical Education},

volume = {99},

number = {1},

pages = {102-105},

abstract = {Magnetic stirrers and hot plates are key components of science laboratories. However, these are not readily available in many developing countries due to their high cost. This article describes the design of a low-cost magnetic stirrer with hot plate from recycled materials. Some of the materials used are neodymium magnets and CPU fans from discarded computers and recycled electrical components from old circuit boards. This prototype was compared with a commercial magnetic stirrer with hot plate. It was noted that high temperatures were reached at similar rates, and the stirring speed was also comparable between the two. With this prototype, which costs 80% less than commercials ones, magnetic stirrers with hot plate can be readily available to enhance teaching and learning in science laboratories that need them most.},

keywords = {first-year undergraduate/general, hands-on learning/manipulatives, high school/introductory chemistry, laboratory equipment/apparatus, laboratory instruction, public understanding/outreach},

pubstate = {published},

tppubtype = {article}

}

@article{Guidote2014Electronic,

title = {Electronic Effects in Oxidation Reactions Utilizing Dinuclear Copper Complexes with the Bis[3-(2-hydroxybenzylideneamino)phenyl] Sulfone Ligand},

author = {Armando M. Guidote Jr. and Ronald L. Reyes and Riyo Kashihara and Yasuhiko Kurusu and Yoshiro Masuyama},

url = {https://kimika.pfcs.org.ph/index.php/kimika/article/view/180},

doi = {10.26534/kimika.v25i2.11-22},

issn = {2508-0911},

year  = {2014},

date = {2014-10-20},

journal = {KIMIKA},

volume = {25},

number = {2},

pages = {11-22},

abstract = {Copper acetate and the ligands bis[3-(3-tert-butyl-2-hydroxy-5-methoxybenzylidene-amino)phenyl] sulfone and bis[3-(3,5-di-tert-butyl-2-hydroxybenzylideneamino)phenyl] sulfone were reacted to form the complexes with 2:1 copper:ligand ratio, Cu2[B(t-Bu) (OMe)BAPS](µ-OCH3)2 (4) and with 2:2 copper:ligand ratio, Cu2[B(t-Bu)2BAPS]2 (5),  respectively.  Structures of 4 and 5 were determined based on IR, UV-Vis, and FAB-MS data in comparison with previously characterized related copper complexes. The two complexes 4 and 5 were utilized in the oxidation of the substrates 2,4- and 2,6-di-tert-butylphenol (dtbp) at -50C with H2O2 in CH2Cl2.  The coupling products are preferred in both cases. For 2,4-dtbp, yields of 4,600% and 7,200% of 3,3’,5,5’-tetra-tert-butyl-2,2’-biphenol were achieved with the use of 4 and 5, respectively. For 2,6-dtbp, yields of 1,900% and 400% of 3,3’,5,5’-tetra-tert-butyl-4,4’-biphenol were realized utilizing 4 and 5, respectively. These show that the methoxy groups activated the complex. Based on low temperature UV-vis results, a µ-η2:η2-peroxo or a µ-hydroperoxo intermediate was possibly formed by the reaction of 4 with the H2O2. This effected the oxidation of the 2,4- and 2,6-dtbp substrates but also resulted in the attack of other complexes which acted as substrates.  A proposed oxidation mechanism using complex 4 and related complexes is presented.},

keywords = {catalysis, copper complex, dinuclear, hydrogen peroxide, oxidation},

pubstate = {published},

tppubtype = {article}

}

@article{LeeYu2014,

title = {Making a Low-Cost Soda Can Ethanol Burner for Out-of-Laboratory Flame Test Demonstrations and Experiments},

author = {Henson L. Lee Yu and Perfecto N. Domingo Jr. and Elliard Roswell S. Yanza and Armando M. Guidote Jr.},

url = {https://pubs.acs.org/doi/10.1021/ed500411v},

doi = {10.1021/ed500411v},

year  = {2014},

date = {2014-10-13},

journal = {Journal of Chemistry Education},

volume = {92},

number = {1},

pages = {127-128},

abstract = {This article demonstrates how to make a low-cost ethanol burner utilizing soda cans. It burns with a light blue flame suitable for out-of-laboratory flame test demonstrations where interference from a yellow flame needs to be avoided.},

keywords = {atomic properties/structure, demonstrations, hands-on learning/manipulatives, high school/introductory chemistry},

pubstate = {published},

tppubtype = {article}

}

@article{Dimzon2014,

title = {Degree of deacetylation of chitosan by infrared spectroscopy and partial least squares},

author = {Ian Ken D. Dimzon and Thomas P. Knepper},

url = {https://www.sciencedirect.com/science/article/abs/pii/S0141813014006631},

doi = {10.1016/j.ijbiomac.2014.09.050},

year  = {2014},

date = {2014-10-12},

journal = {International Journal of Biological Macromolecules},

volume = {72},

pages = {939-945},

abstract = {The determination of the degree of deacetylation of highly deacetylated chitosan by infrared (IR) spectroscopy was significantly improved with the use of partial least squares (PLS). The IR spectral region from 1500 to 1800 cm−1 was taken as the dataset. Different PLS models resulting from various data pre-treatments were evaluated and compared. The PLS model that gave excellent internal and external validation performance came from the data that were corrected for the baseline and that was normalized relative to the maximum corrected absorbance. Analysis of the PLS loadings plot showed that the important variables in the spectral region came from the absorption maxima related to the amide bands at 1660 and 1550 cm−1 and amine band at 1600 cm−1. IR-PLS results were comparable to the results obtained by potentiometric titration. IR-PLS results were found to be more precise and rugged compared to the usual IR absorbance ratio method. This is consistent with the fact that IR spectral resolution is not really high and that the absorption at a single wavelength is influenced by other factors like hydrogen bonding and the presence of water.},

keywords = {chitosan, degree of deacetylation, partial least square},

pubstate = {published},

tppubtype = {article}

}

@article{Morton2014,

title = {Biophysical investigations with MARCKS-ED: dissecting the molecular mechanism of its curvature sensing behaviors},

author = {Leslie A. Morton and Ryo Tamura and Armando J. de Jesus and Arianna Espinoza and Hang Yin},

url = {https://www.sciencedirect.com/science/article/pii/S0005273614003150},

doi = {10.1016/j.bbamem.2014.08.027},

year  = {2014},

date = {2014-09-06},

journal = {Biochimica et Biophysica Acta (BBA) - Biomembranes},

volume = {1838},

number = {12},

pages = {3137-3144},

abstract = {Curved membranes are a common and important attribute in cells. Protein and peptide curvature sensors are known to activate signaling pathways, initiate vesicle budding, trigger membrane fusion, and facilitate molecular transport across cell membranes. Nonetheless, there is little understanding how these proteins and peptides achieve preferential binding of different membrane curvatures. The current study is to elucidate specific factors required for curvature sensing. As a model system, we employed a recently identified peptide curvature sensor, MARCKS-ED, derived from the effector domain of the myristoylated alanine-rich C kinase substrate protein, for these biophysical investigations. An atomistic molecular dynamics (MD) simulation suggested an important role played by the insertion of the Phe residues within MARCKS-ED. To test these observations from our computational simulations, we performed electron paramagnetic resonance (EPR) studies to determine the insertion depth of MARCKS-ED into differently curved membrane bilayers. Next, studies with varied lipid compositions revealed their influence on curvature sensing by MARCKS-ED, suggesting contributions from membrane fluidity, rigidity, as well as various lipid structures. Finally, we demonstrated that the curvature sensing by MARCKS-ED is configuration independent. In summary, our studies have shed further light to the understanding of how MARCKS-ED differentiates between membrane curvatures, which may be generally applicable to protein curvature sensing behavior.},

keywords = {curvature sensing, EPR, MARCKS-ED, peptide-lipid interactions},

pubstate = {published},

tppubtype = {article}

}

@article{Lopez2014,

title = {Candida albicans Uses the Surface Protein Gpm1 to Attach to Human Endothelial Cells and to Keratinocytes via the Adhesive Protein Vitronectin},

author = {Crisanto M. Lopez and Reinhard Wallich and Kristian Riesbeck and Christine Skerka and Peter F. Zipfel},

url = {https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0090796},

doi = {10.1371/journal.pone.0090796},

year  = {2014},

date = {2014-03-13},

journal = {PLoS ONE},

volume = {9},

number = {3},

pages = {e90796},

abstract = {Candida albicans is a major cause of invasive fungal infections worldwide. Upon infection and when in contact with human plasma as well as body fluids the fungus is challenged by the activated complement system a central part of the human innate immune response. C. albicans controls and evades host complement attack by binding several human complement regulators like Factor H, Factor H-like protein 1 and C4BP to the surface. Gpm1 (Phosphoglycerate mutase 1) is one fungal Factor H/FHL1 -binding protein. As Gpm1 is surface exposed, we asked whether Gpm1 also contributes to host cell attachment. Here, we show by flow cytometry and by laser scanning microscopy that candida Gpm1 binds to human umbilical vein endothelial cells (HUVEC) to keratinocytes (HaCaT), and also to monocytic U937 cells. Wild type candida did bind, but the candida gpm1Δ/Δ knock-out mutant did not bind to these human cells. In addition Gpm1when attached to latex beads also conferred attachment to human endothelial cells. When analyzing Gpm1-binding to a panel of extracellular matrix proteins, the human glycoprotein vitronectin was identified as a new Gpm1 ligand. Vitronectin is a component of the extracellular matrix and also a regulator of the terminal complement pathway. Vitronectin is present on the surface of HUVEC and keratinocytes and acts as a surface ligand for fungal Gpm1. Gpm1 and vitronectin colocalize on the surface of HUVEC and HaCaT as revealed by laser scanning microscopy. The Gpm1 vitronectin interaction is inhibited by heparin and the interaction is also ionic strength dependent. Taken together, Gpm1 the candida surface protein binds to vitronectin and mediates fungal adhesion to human endothelial cells. Thus fungal Gpm1 and human vitronectin represent a new set of proteins that are relevant for fungal attachment to human cells interaction. Blockade of the Gpm1 vitronectin interaction might provide a new target for therapy.},

keywords = {-},

pubstate = {published},

tppubtype = {article}

}

@article{Rabanes2013,

title = {Micellar electrokinetic chromatography of the constituents in Philippine lagundi (Vitex negundo) herbal products},

author = {Heide R. Rabanes and Armando M. Guidote Jr. and Joselito P. Quirino},

url = {https://www.sciencedirect.com/science/article/abs/pii/S0026265X13001987},

doi = {10.1016/j.microc.2013.10.006},

issn = {0026-265X},

year  = {2013},

date = {2013-10-08},

journal = {Microchemical Journal},

volume = {112},

pages = {153-158},

abstract = {Vitex negundo or lagundi is an important herbal medicine in Asia and various commercial products of this herb's leaves have been flooding the market. Reports on the chemical constituents of such products were limited and directed to only one selected chemical marker. Here, micellar electrokinetic chromatography using a fused silica capillary was used for analysis of the methanolic extract of Philippine lagundi herbal products. The separation solution, injection, and separation voltage was 50 mM SDS with 50 mM phosphoric acid at pH 2.5, 6 s at 25 mbar, and 20 kV at negative polarity, respectively. With UV detection at 200 nm, the LODs (S/N = 3) were in the sub-μg/mL range which were sufficient for detection without the need for on-line or off-line sample concentration. The repeatability values were all below 3.9% for migration time and peak signals. When the method was used to real samples, a flavonoid (isoorientin) and two iridoid glycosides (agnuside and negundoside) were identified as the target chemical markers within a 12 min electrophoretic run. The accuracy was from 95% to 129%. The results also suggested that agnuside was the major component in Philippine lagundi. The method was simple, effective, low cost, and can be used for authenticity evaluation of lagundi products.},

keywords = {agnuside, chemical markers, herbal products, lagundi, MEKC, Vitex negundo},

pubstate = {published},

tppubtype = {article}

}

@article{deJesus2013,

title = {Changes in lipid density induce membrane curvature},

author = {Armando J. de Jesus and Noah Kastelowitz and Hang Yin},

url = {https://pubs.rsc.org/en/content/articlelanding/2013/RA/c3ra42332h},

doi = {10.1039/C3RA42332H},

year  = {2013},

date = {2013-06-18},

journal = {RSC Advances},

volume = {3},

number = {33},

pages = {13622-13625},

abstract = {Highly curved bilayer lipid membranes make up the shell of many intra- and extracellular compartments, including organelles and vesicles. Using all-atom molecular dynamics simulations, we show that increasing the density of lipids in the bilayer membrane can induce the membrane to form a curved shape.},

keywords = {-},

pubstate = {published},

tppubtype = {article}

}

@article{Otagiri2013,

title = {Heterologous Expression and Characterization of a Glycoside Hydrolase Family 45 endo-β-1,4-Glucanase from a Symbiotic Protist of the Lower Termite, Reticulitermes speratus},

author = {Masato Otagiri and Crisanto M. Lopez and Katsuhiko Kitamoto and Manabu Arioka and Toshiaki Kudo and Shigeharu Moriya},

url = {https://link.springer.com/article/10.1007/s12010-012-9992-1},

doi = {10.1007/s12010-012-9992-1},

year  = {2013},

date = {2013-01-25},

journal = {Applied Biochemistry and Biotechnology},

volume = {169},

pages = {1910-1918},

abstract = {The termite symbiotic system is one of the efficient lignocellulose degradation systems. We tried to express and characterize a novel cellulolytic enzyme from this system. Here, we report the isolation of an endo-β-1,4-glucanase gene homolog of glycoside hydrolase family 45 from a symbiotic protistan community of Reticulitermes speratus. Heterologous expression of this gene was performed using the expression system of Aspergillus oryzae. Analysis of enzymatic properties revealed 786 μmol/min/mg protein in specific activity, a V max of 833.0 units/mg protein, and a K m value of 2.58 mg/ml with carboxymethyl cellulose as the substrate. Thin-layer chromatography analysis showed that RsSymEG2 produces cellobiose from cellodextrins larger than cellohexaose. This enzyme showed high specific activity like other endo-β-1,4-glucanases from the symbiotic system of termites. It means that the termite symbiotic system is a good resource for highly active endo-β-1,4-glucanases.},

keywords = {biomass, cellulase, protist, termite},

pubstate = {published},

tppubtype = {article}

}

@article{Dimzon2012,

title = {The interaction of chitosan and olive oil: Effects of degree of deacetylation and degree of polymerization},

author = {Ian Ken D. Dimzon and Jürgen Ebertb and Thomas P. Knepper},

url = {https://www.sciencedirect.com/science/article/abs/pii/S0144861712009526},

doi = {10.1016/j.carbpol.2012.09.035},

year  = {2012},

date = {2012-09-28},

journal = {Carbohydrate Polymers},

volume = {92},

number = {1},

pages = {564-570},

abstract = {The combined effects of degree of deacetylation (DD) and degree of polymerization (DP) on the ability of chitosan to interact with olive oil was studied. The oil-binding test, a method that makes use of olive oil as a representative fat, was adopted as a measure of the interaction of chitosan and olive oil. The oil-binding capacities of twelve chitosan samples with DPs ranging from 470 to 1450 and DDs of 75% to 95% were determined. The oil-binding capacities were then correlated to the DD and DP using partial least squares (PLS) regression. The generated PLS model had a root mean square error of prediction (RMSEP) of 9.1%. Results indicated that oil-binding capacity is a function of DD more than of DP. For chitosan with DD at the interval 50% < DD < 90%, a negatively sloped linear correlation was obtained for DD and oil-binding capacity suggesting that hydrophobic intermolecular forces of attraction dominates the interaction of chitosan with olive oil. For chitosan with DD > 90%, the observed deviation from the linear correlation increased. In this interval, free fatty acid anions facilitate the interaction of chitosan and olive oil. Free fatty acids form a stable ionic interaction with the former and a strong hydrophobic interaction with the latter.},

keywords = {chemometrics, chitosan, degree of deacetylation, degree of polymerization, oil-binding capacity, pls},

pubstate = {published},

tppubtype = {article}

}

@article{deJesus2012,

title = {The determinants of hydrophobic mismatch response for transmembrane helices},

author = {Armando J. de Jesus and Toby W. Allen},

url = {https://www.sciencedirect.com/science/article/pii/S0005273612003252},

doi = {10.1016/j.bbamem.2012.09.012},

year  = {2012},

date = {2012-09-17},

journal = {Biochimica et Biophysica Acta (BBA) - Biomembranes},

volume = {1828},

number = {2},

pages = {851-863},

abstract = {Hydrophobic mismatch arises from a difference in the hydrophobic thickness of a lipid membrane and a transmembrane protein segment, and is thought to play an important role in the folding, stability and function of membrane proteins. We have investigated the possible adaptations that lipid bilayers and transmembrane α-helices undergo in response to mismatch, using fully-atomistic molecular dynamics simulations totaling 1.4 μs. We have created 25 different tryptophan-alanine-leucine transmembrane α-helical peptide systems, each composed of a hydrophobic alanine–leucine stretch, flanked by 1–4 tryptophan side chains, as well as the β-helical peptide dimer, gramicidin A. Membrane responses to mismatch include changes in local bilayer thickness and lipid order, varying systematically with peptide length. Adding more flanking tryptophan side chains led to an increase in bilayer thinning for negatively mismatched peptides, though it was also associated with a spreading of the bilayer interface. Peptide tilting, bending and stretching were systematic, with tilting dominating the responses, with values of up to ~ 45° for the most positively mismatched peptides. Peptide responses were modulated by the number of tryptophan side chains due to their anchoring roles and distributions around the helices. Potential of mean force calculations for local membrane thickness changes, helix tilting, bending and stretching revealed that membrane deformation is the least energetically costly of all mismatch responses, except for positively mismatched peptides where helix tilting also contributes substantially. This comparison of energetic driving forces of mismatch responses allows for deeper insight into protein stability and conformational changes in lipid membranes.},

keywords = {free energy, hydrophobic mismatch, membrane protein, molecular dynamics, protein–lipid interactions},

pubstate = {published},

tppubtype = {article}

}

@article{deJesus2012b,

title = {The role of tryptophan side chains in membrane protein anchoring and hydrophobic mismatch},

author = {Armando J. de Jesus and Toby W. Allen},

url = {https://www.sciencedirect.com/science/article/pii/S0005273612003227},

doi = {10.1016/j.bbamem.2012.09.009},

year  = {2012},

date = {2012-09-16},

journal = {Biochimica et Biophysica Acta (BBA) - Biomembranes},

volume = {1828},

number = {2},

pages = {864-876},

abstract = {Tryptophan (Trp) is abundant in membrane proteins, preferentially residing near the lipid–water interface where it is thought to play a significant anchoring role. Using a total of 3 μs of molecular dynamics simulations for a library of hydrophobic WALP-like peptides, a long poly-Leu α-helix, and the methyl-indole analog, we explore the thermodynamics of the Trp movement in membranes that governs the stability and orientation of transmembrane protein segments. We examine the dominant hydrogen-bonding interactions between the Trp and lipid carbonyl and phosphate moieties, cation–π interactions to lipid choline moieties, and elucidate the contributions to the thermodynamics that serve to localize the Trp, by ~ 4 kcal/mol, near the membrane glycerol backbone region. We show a striking similarity between the free energy to move an isolated Trp side chain to that found from a wide range of WALP peptides, suggesting that the location of this side chain is nearly independent of the host transmembrane segment. Our calculations provide quantitative measures that explain Trp's role as a modulator of responses to hydrophobic mismatch, providing a deeper understanding of how lipid composition may control a range of membrane active peptides and proteins.},

keywords = {free energy, hydrophobic mismatch, membrane protein, molecular dynamics, protein–lipid interactions, tryptophan},

pubstate = {published},

tppubtype = {article}

}