Philippine Journal of Science最新文献

{"title":"In Silico Investigations of Some Carbohydrate Derivatives: Pass Prediction, ADMET, QSAR, and Molecular Docking Studies against Pseudomonas aeruginosa","authors":"I. Arabi, S. Kawsar","doi":"10.56899/152.04.11","DOIUrl":"https://doi.org/10.56899/152.04.11","url":null,"abstract":"Carbohydrates are plentiful naturally occurring macromolecules that are crucial to a range of biological activities. Therefore, the focus of our research group has been on computational studies of previously synthesized methyl α-D-glucopyranoside (α-MGP) derivatives. To determine the chemical descriptors of the synthesized compounds, quantum chemical research was conducted using Gaussian09 and the DFT (density functional theory) calculations. Frontier molecular orbital features, electrostatics potential, and thermodynamic properties of these optimized compounds are investigated. PASS (prediction of activity spectra for substances) showed the excellent thermodynamic and antimicrobial properties of the designed α-MGP derivatives. The binding energy and binding strategies of certain bacterial proteins from Pseudomonas aeruginosa (3PBN, and 3PBS) were investigated using molecular docking simulations, and adequate binding affinity was reported. QSAR (quantitative structure-activity correlations) analysis found a better drug-likeness profile for all α-MGP derivatives, and pharmacokinetic prediction demonstrated an enhanced drug-likeness profile of α-MGP derivatives. Furthermore, by side chain alteration in the α-D-glucopyranoside sequence, these compounds can be thought of as strong antibacterial agents.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"91 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74965173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of Risk-targeted Seismic Hazard Maps for Low-rise and Mid-rise Reinforced Concrete Buildings in the Philippines","authors":"Royce Argel Mallari, L. Garciano, Henremagne Peñarubi","doi":"10.56899/152.04.09","DOIUrl":"https://doi.org/10.56899/152.04.09","url":null,"abstract":"The seismic hazard maps of the Philippines provide spectral acceleration mean values that describe the probability of occurrence of area-specific ground motion hazards due to earthquakes in the country. However other countries have progressed from developing hazard maps to risk-targeted maps that include information on the probability of collapse of buildings. This is the research gap that this study aims to bridge and, thus, developed maps of risk-targeted ground motions (RTGM) for the Philippines using the City of Manila as the area of focus. The maps will be created using the procedure suggested in ASCE 7-16 in obtaining the risk-targeted maximum considered earthquake (MCER). The probabilistic MCER will be created using the information obtained from the seismic hazard and the generic fragility curve that will represent the performance of buildings during a maximum considered earthquake (MCE) event. In this study, the seismic hazards were obtained using the same procedure, decision-making, and empirical formula as the one used in developing the Spectral Acceleration Maps of the Philippines (SAM PH). While the generic fragility curve was described by a function with a lognormal standard deviation, β, of 0.7. With a considered risk level of 1% probability of collapse in 50 yr, the developed RTGM maps are presented in this study. In the analysis of results, the probabilistic MCER is lesser than the MCE level spectral accelerations in the majority of the area in Manila due to the influence of the building’s collapse capacity for stiff soil profiles. The opposite can be seen in softer soil profiles. However, the final MCER values are slightly larger than the MCE values due to the application of the directivity factors.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"183 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74647869","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Estimation of Measurement Uncertainty for the Analysis of Arsenic in Water by Hydride Vapor Generation–Atomic Absorption Spectrometry","authors":"A. R. Dablio, Noel Angelo Kalacas, V. Abarintos, Isaiah E Ubando, R. Damian, Johanna Andrea Valdueza","doi":"10.56899/152.03.16","DOIUrl":"https://doi.org/10.56899/152.03.16","url":null,"abstract":"Every person should have the right to have access to an adequate supply of safe drinking water. However, the presence of different chemical contaminants compromises its quality. Among these chemical contaminants is arsenic, particularly its inorganic species, which when consumed at certain levels in drinking water can cause cancer and heart, respiratory, and neurological problems. For this reason, the determination of arsenic in water requires the use of a validated test method. In this context, the estimation of measurement uncertainty (MU) is an important tool that identifies the impact of each step of the measurement protocol on the overall accuracy and reliability of measurement results. This study is important for drinking water consumers to have accurate test results and can be used by testing laboratories as a guide in their MU calculations for arsenic analysis. In this paper, MU estimation was presented as a validated test method for the analysis of arsenic in a water sample by hydride vapor generation–flame atomic absorption spectrophotometry (HVG-FAAS) using the bottom-up approach. The concentration of arsenic found in the water sample was 0.530 ± 0.07 μg L–1 (k = 2, norm.), which complies with the maximum allowable level (MAL) of arsenic at 10 μg L–1 set in Philippine National Standards for Drinking Water (PNSDW) of 2017. The concentration of arsenic in the sample solution is the major contributory component to the estimated uncertainty with 90.60%; 7.07% is due to overall bias and 1.87% to method precision. Based on this outcome, this study can provide a suitable procedure for estimating MU in HVG-FAAS analysis of arsenic in clean water. Further studies can be done for dialysis water, wastewater, and environmental water.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86905643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Selective Synthesis of Monolaurin: a Preliminary Investigation","authors":"Ruel Cayona, Gilbert Yu","doi":"10.56899/152.03.18","DOIUrl":"https://doi.org/10.56899/152.03.18","url":null,"abstract":"Monolaurin (ML) is a monoacylglycerol (MAG) with important industrial and biomedical properties. It is commonly prepared in large quantities from the direct esterification of lauric acid (LA) and glycerol with chemical catalysts. However, this method also generates other glyceride by-products whose properties are inferior to ML. Enzymes have also been used to optimize selectivity, but enhancing scalability and throughput is always challenging. Successful selective convergent chemical synthesis of ML involving activated derivatives of LA and glycerol is demonstrated in this study. The present yield of 3.41% can be improved with careful process control.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88626557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bioprospecting of Limosilactobacillus fermentum Strain MH 2.3 for Anti-diabetic Properties: from Biochemical to Molecular Docking Approaches","authors":"Ulfa Febiana Whatin, B. Manguntungi, H. Djamaludin, H. Handoko, L. R. Vanggy, Gita Fenylestari, A. B. Kusuma","doi":"10.56899/152.03.22","DOIUrl":"https://doi.org/10.56899/152.03.22","url":null,"abstract":"Diabetes mellitus is a metabolic disorder characterized by an increase in blood glucose beyond normal limits or hyperglycemia due to abnormalities in metabolic processes due to insulin deficiency. Acarbose is now widely used as a drug for people with diabetes mellitus. However, the use of acarbose can cause negative effects in the form of flatulence, diarrhea, and hypoglycemia. Alpha-glucosidase enzyme inhibitors are needed to treat diabetes. Lactic acid bacteria act as inhibitors of alpha-glucosidase activity. This study aimed to determine the presence of specialized metabolites with antidiabetic compounds harvested from Limosilactobacillus fermentum MH 2.3 culture filtrate using biochemical and molecular docking analyses. The use of molecular docking aims to predict ligand bonds and target proteins, which focuses on energy affinity and bond interactions. The results of alpha-glucosidase inhibition assay and molecular docking indicated that L. fermentum MH 2.3 is a prospective “gold mine” in search of novel anti-diabetic compounds. The highest antidiabetic activity, inhibition value of 551.2%, was obtained from the undiluted crude extract of L. fermentum strain MH 2.3 culture following the incubation at 37 ℃ for 72 h. Tert-butyl 3-(1H-tetrazol-5-yl) piperidine-1-carboxylate and benzylmaleimide were found to be the best ligand candidates, as they inhibits the alpha-glucoside activities by forming hydrogen interactions at the leucine residues (734A), similar residues found in its the native ligand. These results are supported by the respective lowest binding energy score of –4.5 kcal/mol when compared with the acarbose as the positive control. The docking was validated by estimating the RMSD values. This finding substantiates the evidence that bioprospecting novel bacterial strains provides a greater chance to discover unknown yet potential bioactive molecules for various biomedical purposes, one of which is a drug candidate to treat diabetic mellitus, which now is considered one of the most life-threatening global epidemics.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72535498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Application of Aglao E Unhas Compound from Aglaophenia cupressina Lamoureoux against Colletotrichum gloesporioides on Strawberry and Aspergillus niger on Mango","authors":"E. Johannes, A. Laga, M. Litaay, B. Manguntungi, Mustika Tuwo, Fuad Gani, A. Z. Mustopa, L. R. Vanggy","doi":"10.56899/152.03.15","DOIUrl":"https://doi.org/10.56899/152.03.15","url":null,"abstract":"This study aimed to extract and characterize the main bioactive compound of Aglaophenia cupressina Lamoureoux using UV, IR, and NMR spectroscopy. This compound was then tested in vitro using the agar diffusion method at a concentration of 15, 30, and 45 ppm against two fungi isolated from the spoiled strawberry and mango. The efficacy of Aglao E Unhas was tested in fully ripe strawberries and mangoes. The number of fungi that grew during storage was counted using the standard plate count method. The results of the isolation of hydroid A.cupressina yielded the pure compound Aglao E Unhas derivative of alkaloids, which is a new compound, in the form of white crystals, melting point at 55–56 ˚C, which has 15 carbon atoms and 39 hydrogen atoms, one NH group in a heterocyclic ring. Aglao E Unhas at 45 ppm has antifungal properties against Colletotrichum gloesoporioides and Aspergillus niger. The largest inhibition zone against Colletotrichum gloesoporioides was 18.20 mm at 48 h and increased to 18.70 mm at 72 h of incubation. The inhibition zone against Aspergillus niger at 48 hours of incubation resulted in 17.35 mm and 72 h of incubation increased to 18.00 mm.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"42 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90355688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Window Direction Factor toward PMV and PPD Values in Classrooms","authors":"P. P. Suradhuhita, E. Setyowati, E. Prianto","doi":"10.56899/152.03.17","DOIUrl":"https://doi.org/10.56899/152.03.17","url":null,"abstract":"Thermal comfort is an important element in students’ learning activities. The object chosen was the classroom of the Sawah Besar 01 Public Elementary School in Semarang, Indonesia built in a densely populated area, resulting in a window design that has varying orientation directions but with a homogenous façade design. This affects the level of thermal comfort in the classroom. Data analysis was carried out quantitatively – namely, to obtain a thermal comfort index, PMV, and PPD according to the Indonesia National Standard and ASHRAE. The thermal comfort conditions of all selected rooms on the 1st and 2nd floors, either indoor or outdoor, did not meet the comfortable thermal comfort standard for classrooms. The PMV index is above +1 and is mostly categorized as slightly warm, warm, and hot, and all of the PPD percentages are above 10%, indicating that most of the occupants are not satisfied with the temperature in the classroom. New façade opening designs and mechanical ventilation aids need to be applied to improve thermal comfort according to the Indonesia National Standard and ASHRAE.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77223035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Does the Sierra Madre Mountain Range in Luzon Act as a Barrier to Typhoons?","authors":"G. Bagtasa, B. A. Racoma","doi":"10.56899/152.s1.05","DOIUrl":"https://doi.org/10.56899/152.s1.05","url":null,"abstract":"Tropical cyclones (TCs) making landfall in Luzon weaken due to the surface friction of Luzon’s mountainous terrain and the reduced ocean heat, momentum, and moisture fluxes over the landmass. Landmass also influences TC rain distribution by orographic enhancement or blocking of a TC’s moisture-laden circulation. In this study, we investigated the influence of the effects of the Sierra Madre and the Cordillera Mountains Ranges (SMMR and CMR) on TC-associated wind and rainfall hazards to answer the question of whether the SMMR or the CMR mitigates TC hazards. We used the Weather Research and Forecasting (WRF) model with modified SMMR and CMR terrains to disentangle the effects of the orography with flat land. Results show that Luzon-passing TCs maintain their intensities at landfall regardless of the frictional effects of the mountain ranges but the CMR inhibits the re-intensification of westward-moving TCs emerging from landmass after traversing Luzon. The SMMR reduces wind exposure and basin-wide rainfall of the Cagayan Valley. Hence, the SMMR can be considered a barrier for that region. In addition, the weakening effect of the SMMR reduces the wind exposure of the island of Catanduanes and eastern Bicol the most. However, for the rest of Luzon, the SMMR enhances rainfall which will likely compensate for the slight decrease in wind exposure – especially considering that most TC-related damages are water/rainfall related. The CMR, overall, has a larger hazard-mitigating effect than the SMMR. In any case, we believe that shifting the discourse to these mountains’ biodiversity conservation and restoration – rather than their purported TC mitigating effects – will be more strategically constructive.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"16 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82104651","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanoemulsion of the Mixture of Citronella Grass Distillation Waste and Piper aduncum Essential Oil to Control Spodoptera frugiperda (Lepidoptera: Noctuidae)","authors":"E. Lina, Henny Sonia Febrianty Holeng, N. Nelly, R. Reflin, G. Ernis","doi":"10.56899/152.03.30","DOIUrl":"https://doi.org/10.56899/152.03.30","url":null,"abstract":"Corn production in Indonesia is challenged by the attack of the new invasive pest fall armyworm (Spodoptera frugiperda, Lepidoptera: Noctuidae). This pest is known to be resistant to many synthetic insecticides. Botanical insecticide with nanoemulsion formulation is an option to solve this problem because it was relatively eco-friendly, and the various active components delay insect resistance and insect resurgence. The objectives of this research are to determine the characteristics of the nanoemulsion of the mixture of spiked pepper (Piper aduncum) and citronella grass distillate waste (Cymbopogon nardus) and to test the insecticidal activity of nanoemulsion against Spodoptora frugiperda. The nanoemulsion formulation is made with the spontaneous emulsification method. The leaf dipping technique is applied at the nanoemulsion toxicity test on S. frugiperda larvae. Then, the nanoemulsion formulation is analyzed with PSA and Zetasizer Nano Malyern to measure the particle size and zeta potential. The result of the research shows that the nanoemulsion of the mixture of citronella grass waste and P. aduncum fruit oil has insecticide activity with LC50 = 0.53%. Additionally, it causes mortality and developmental delay in S. frugiperda larvae. The nanoemulsion particle is 273.1 nm. It has homogeneity and an even distribution.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"84 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90990105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Needs Assessment and Co-creation of Policy Recommendations for DOST-CEST Program Sites: Philippines’ Transdisciplinary Approach","authors":"Marife Dapito, Dhino B. Geges, Ron Jay Dangcalan, G. Consignado, Jennifer Marie Amparo, M. E. Mendoza, E. Visco, Diana A. Torio, Rocky Marcelino, Daniel Joy Cabauatan, Maria Shiela Muros, Angelika Sarmiento, Miciah Bernardez, Alvaro Calara, M. Malenab, Rita Mae Ang-Bon, Caroline D. Piñon","doi":"10.56899/152.03.33","DOIUrl":"https://doi.org/10.56899/152.03.33","url":null,"abstract":"Local development is multi-faceted, which precipitates the need for transdisciplinary approaches to capture the complexity of issues and possible solutions to development challenges. Six program sites in two provinces located in Southern Luzon, Philippines under the Department of Science and Technology Community Empowerment through Science and Technology (DOST-CEST) program were studied to determine possible science and technology interventions to accelerate local development. The study used a concurrent mixed-method research design where the qualitative and quantitative data are collected during the same stage. Focus group discussions and key informant interviews were conducted to represent local government and sectoral groups. Secondary data – which includes barangay and municipal profiles and local government unit (LGU) data on social services – were collected, and a survey was used to gather information on the needs of the community members. The existing needs include access to healthcare, health facilities, and services, improved access to potable water sources, compliance with solid waste management, educational assistance, sustainable livelihood opportunities, and equipment for better disaster preparedness and response. Theoretical reflections using transdisciplinary approaches such as human ecology and social technology assisted in local development planning and policy recommendations where data and synthesis generated the need for a convergence approach, integrative research, community organizing, and partnerships with higher education institutions. Specific recommendations would include improving the quality of the KALINGA mix for health and nutrition, provision of ceramic water filters for water and sanitation, STARBOOKS (Science and Technology Academic and Research-Based Openly Operated Kiosk Station) units, which are like science library-on-the-go kiosks for basic education, and incorporating technologies like an automated rain gauge, flood early warning station, and water level monitoring station in the current disaster risk response and management. Prioritization of interventions should be matched with the resources and capacities of both DOST and LGUs.","PeriodicalId":39096,"journal":{"name":"Philippine Journal of Science","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80263194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}