@inproceedings{calaway_terán_2024, title={Effects of multiple polymer degradation pathways within compost conditions}, booktitle={American Chemical Society Spring Conference}, author={Calaway, G. and Terán, J.E.}, year={2024}, month={Mar} }
 @inproceedings{terán_pal_spontak_lucia_2023, title={Degradation processes related to material removal through abrasive damage: a novel perspective for measuring polymer surface changes}, booktitle={American Chemical Society Fall Conference}, author={Terán, J.E. and Pal, L. and Spontak, R.J. and Lucia, L.}, year={2023}, month={Aug} }
 @article{terán_pal_spontak_lucia_2023, title={Surface Mechanical Properties and Topological Characteristics of Thermoplastic Copolyesters after Precisely Controlled Abrasion}, volume={15}, ISSN={1944-8244 1944-8252}, url={http://dx.doi.org/10.1021/acsami.2c19377}, DOI={10.1021/acsami.2c19377}, abstractNote={Due to the high probability of surface-to-surface contact of materials during routine applications, surface abrasion remains one of the most challenging factors governing the long-term performance of polymeric materials due to their broad range of tunable mechanical properties, as well as the varied conditions of abrasion (regarding, e.g., rate, load, and contact area). While this concept is empirically mature, a fundamental understanding of mechanical abrasion regarding thermoplastics remains lacking even though polymer abrasion can inadvertently lead to the formation of nano-/microplastics. In the present study, we introduce the concept of precision polymer abrasion (PPA) in conjunction with nanoindentation to elucidate the extent to which controlled wear is experienced by three chemically related thermoplastics under systematically varied abrasion conditions. While depth profiling of one polymer reveals a probe-dependent change in modulus, complementary results from positron annihilation lifetime spectroscopy confirm that the polymer density changes measurably, but not appreciably, with depth over the depth range explored. After a single PPA pass, the surface moduli of the polymers noticeably increase, whereas the corresponding increase in hardness is modest. The dependence of wear volume on the number of PPA passes is observed to reach limiting values for two of the thermoplastics, and application of an empirical model to the data yields estimates of these values for all three thermoplastics. These results suggest that the metrics commonly employed to describe the surface abrasion of polymers requires careful consideration of a host of underlying factors.}, number={5}, journal={ACS Applied Materials & Interfaces}, publisher={American Chemical Society (ACS)}, author={Terán, Julio E. and Pal, Lokendra and Spontak, Richard J. and Lucia, Lucian}, year={2023}, month={Jan}, pages={7552–7561} }
 @inproceedings{bader_terán_lucia_spontak_2023, title={The influence of macromolecular architecture on the surface properties of linear copolyesters}, booktitle={NC State Undergraduate Research Symposium}, author={Bader, K. and Terán, J.E. and Lucia, L.A. and Spontak, R.J.}, year={2023}, month={Apr} }
 @inproceedings{terán_pal_spontak_lucia_2022, title={Cohesive wear in polymers: lessons from the direct future sustainability}, booktitle={American Chemical Society Fall Conference}, author={Terán, J.E. and Pal, L. and Spontak, R.J. and Lucia, L.}, year={2022}, month={Aug} }
 @article{contreras-torres_marrero-ponce_terán_agüero-chapin_antunes_garcía-jacas_2022, title={Fuzzy spherical truncation-based multi-linear protein descriptors: From their definition to application in structural-related predictions}, volume={10}, ISSN={2296-2646}, url={http://dx.doi.org/10.3389/fchem.2022.959143}, DOI={10.3389/fchem.2022.959143}, abstractNote={This study introduces a set of fuzzy spherically truncated three-dimensional (3D) multi-linear descriptors for proteins. These indices codify geometric structural information from kth spherically truncated spatial-(dis)similarity two-tuple and three-tuple tensors. The coefficients of these truncated tensors are calculated by applying a smoothing value to the 3D structural encoding based on the relationships between two and three amino acids of a protein embedded into a sphere. At considering, the geometrical center of the protein matches with center of the sphere, the distance between each amino acid involved in any specific interaction and the geometrical center of the protein can be computed. Then, the fuzzy membership degree of each amino acid from an spherical region of interest is computed by fuzzy membership functions (FMFs). The truncation value is finally a combination of the membership degrees from interacting amino acids, by applying the arithmetic mean as fusion rule. Several fuzzy membership functions with diverse biases on the calculation of amino acids memberships (e.g., Z-shaped (close to the center), PI-shaped (middle region), and A-Gaussian (far from the center)) were considered as well as traditional truncation functions (e.g., Switching). Such truncation functions were comparatively evaluated by exploring: 1) the frequency of membership degrees, 2) the variability and orthogonality analyses among them based on the Shannon Entropy’s and Principal Component’s methods, respectively, and 3) the prediction performance of alignment-free prediction of protein folding rates and structural classes. These analyses unraveled the singularity of the proposed fuzzy spherically truncated MDs with respect to the classical (non-truncated) ones and respect to the MDs truncated with traditional functions. They also showed an improved prediction power by attaining an external correlation coefficient of 95.82% in the folding rate modelling and an accuracy of 100% in distinguishing structural protein classes. These outcomes are better than the ones attained by existing approaches, justifying the theoretical contribution of this report. Thus, the fuzzy spherically truncated-based protein descriptors from MuLiMs-MCoMPAs (http://tomocomd.com/mulims-mcompas) are promising alignment-free predictors for modeling protein functions and properties.}, journal={Frontiers in Chemistry}, publisher={Frontiers Media SA}, author={Contreras-Torres, Ernesto and Marrero-Ponce, Yovani and Terán, Julio E. and Agüero-Chapin, Guillermin and Antunes, Agostinho and García-Jacas, César R.}, year={2022}, month={Oct} }
 @inproceedings{terán_vinueza_2021, title={Characterization of water-soluble reactive dyes from cellulosic fibers employing hydrophilic interaction chromatography and mass spectrometry for environmental purposes}, booktitle={American Chemical Society Spring Meeting}, author={Terán, J.E. and Vinueza, N.R.}, year={2021}, month={Apr} }
 @article{tormet gonzalez_terán_2021, title={Latin American Network of Young Scientists working in Chemistry (LANYSC): an initiative to connect chemists from Latin America}, number={13}, journal={The International Younger Chemists Network Newsletter}, author={Tormet Gonzalez, G. and Terán, J.E.}, year={2021}, month={Feb} }
 @article{liu_sui_terán_chapman_ankeny_vinueza_2021, title={Separation and identification of commercial reactive dyes with hydrophilic interaction liquid chromatography and quadrupole time‐of‐flight mass spectrometry}, volume={137}, ISSN={1472-3581 1478-4408}, url={http://dx.doi.org/10.1111/cote.12539}, DOI={10.1111/cote.12539}, abstractNote={Abstract}, number={4}, journal={Coloration Technology}, publisher={Wiley}, author={Liu, Yixin and Sui, Xinyi and Terán, Julio E. and Chapman, Lisa P. and Ankeny, Mary and Vinueza, Nelson R.}, year={2021}, month={Mar}, pages={407–417} }
 @inproceedings{terán_vinueza_2021, title={Separation and identification of highly polar chromophores dyed in cellulosic fibers by chemical mediated cleavage and Hydrophilic Chromatography-Mass Spectrometry}, booktitle={Triangle Area Mass Spectrometry Discussion Group}, author={Terán, J.E. and Vinueza, N.R.}, year={2021}, month={Apr} }
 @article{terán_millbern_shao_sui_liu_demmler_vinueza_2020, title={Characterization of synthetic dyes for environmental and forensic assessments: A chromatography and mass spectrometry approach}, volume={44}, ISSN={1615-9306 1615-9314}, url={http://dx.doi.org/10.1002/jssc.202000836}, DOI={10.1002/jssc.202000836}, abstractNote={Abstract}, number={1}, journal={Journal of Separation Science}, publisher={Wiley}, author={Terán, Julio E and Millbern, Zoe and Shao, Dongyan and Sui, Xinyi and Liu, Yixin and Demmler, Morgan and Vinueza, Nelson R}, year={2020}, month={Nov}, pages={387–402} }
 @article{garcía‐jacas_marrero‐ponce_vivas‐reyes_suárez‐lezcano_martinez‐rios_terán_aguilera‐mendoza_2020, title={Distributed and multicore QuBiLS‐MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra}, volume={41}, ISSN={0192-8651 1096-987X}, url={http://dx.doi.org/10.1002/jcc.26167}, DOI={10.1002/jcc.26167}, abstractNote={Abstract}, number={12}, journal={Journal of Computational Chemistry}, publisher={Wiley}, author={García‐Jacas, César R. and Marrero‐Ponce, Yovani and Vivas‐Reyes, Ricardo and Suárez‐Lezcano, José and Martinez‐Rios, Felix and Terán, Julio E. and Aguilera‐Mendoza, Longendri}, year={2020}, month={Feb}, pages={1209–1227} }
 @inproceedings{terán_2020, title={LANYSC: Una Iniciativa Para El Desarrollo De La Química En El Salvador y Latinoamérica}, booktitle={Universidad Alberto Masferrer}, author={Terán, J.E.}, year={2020}, month={Nov} }
 @inproceedings{terán_2020, title={LANYSC: una oportunidad de conectarnos en el mundo de la química latinoamericana}, booktitle={IUPAC’s Global Women Breakfast}, author={Terán, J.E.}, year={2020}, month={Dec} }
 @article{marrero-ponce_teran_contreras-torres_garcía-jacas_perez-castillo_cubillan_peréz-giménez_valdés-martini_2020, title={LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs}, volume={485}, ISSN={0022-5193}, url={http://dx.doi.org/10.1016/j.jtbi.2019.110039}, DOI={10.1016/j.jtbi.2019.110039}, abstractNote={Novel 3D protein descriptors based on bilinear, quadratic and linear algebraic maps in Rn are proposed. The latter employs the kth 2-tuple (dis) similarity matrix to codify information related to covalent and non-covalent interactions in these biopolymers. The calculation of the inter-amino acid distances is generalized by using several dis-similarity coefficients, where normalization procedures based on the simple stochastic and mutual probability schemes are applied. A new local-fragment approach based on amino acid-types and amino acid-groups is proposed to characterize regions of interest in proteins. Topological and geometric macromolecular cutoffs are defined using local and total indices to highlight non-covalent interactions existing between the side-chains of each amino acid. Moreover, local and total indices calculations are generalized considering a LEGO approach, by using several aggregation operators. Collinearity and variability analyses are performed to evaluate every generalizing component applied to the definition of these novel indices. These experiments are oriented to reduce the number of MDs obtained for performing prediction models. The predictive power of the proposed indices was evaluated using two benchmark datasets, folding rate and secondary structural classification of proteins. The proposed MDs are modeled using the following strategies: Multiple Linear Regression (MLR) and Support Vector Machine (SVM), respectively. The best regression model developed for the folding rate of proteins yields a cross-validation coefficient of 0.875 (Test Set) and the best model developed for secondary structural classification obtained 98% of instances correctly classified (Test Set). These statistical parameters are superior to the ones obtained with existing MDs reported in the literature. Overall, the new theoretical generalization enhanced the information extraction into the MDs, allowing a better correlation between these two evaluated benchmark datasets and the proposed indices. The optimal theoretical configurations defined for the calculation of these MDs consider low collinearity and less information redundancy among them. These theoretical configurations and the software are available at http://tomocomd.com/mulims-mcompas.}, journal={Journal of Theoretical Biology}, publisher={Elsevier BV}, author={Marrero-Ponce, Yovani and Teran, Julio E. and Contreras-Torres, Ernesto and García-Jacas, César R. and Perez-Castillo, Yunierkis and Cubillan, Nestor and Peréz-Giménez, Facundo and Valdés-Martini, José R.}, year={2020}, month={Jan}, pages={110039} }
 @inproceedings{terán_2020, title={Latin American Network of Young Scientists working in Chemistry}, booktitle={1st International Chemistry Congress}, author={Terán, J.E.}, year={2020}, month={Oct} }
 @inproceedings{terán_2020, title={Latin American Network of Young Scientists working in Chemistry}, booktitle={Impacto de la Química en la industria: análisis del contexto nacional e internacional}, author={Terán, J.E.}, year={2020}, month={Nov} }
 @inproceedings{enrique teran_2020, title={Latin American Network of Young Scientists working in Chemistry (LANYSC): an initiative to increase young latin american people visibility around the chemistry world}, url={http://dx.doi.org/10.1021/scimeetings.3c00681}, DOI={10.1021/scimeetings.3c00681}, booktitle={LatinXChem}, publisher={American Chemical Society (ACS)}, author={Enrique Teran, Julio}, year={2020}, month={Sep} }
 @inproceedings{terán_2020, title={Latin American Network of Young Scientists working in Chemistry: an initiative to increase Latin American scientists around the world}, booktitle={Universidad San Francisco de Quito}, author={Terán, J.E.}, year={2020}, month={Oct} }
 @article{sui_terán_feng_wustrow_smith_vinueza_2020, title={Quantification of anthracene after dermal absorption test <i>via</i> APCI-tandem mass spectrometry}, volume={12}, ISSN={1759-9660 1759-9679}, url={http://dx.doi.org/10.1039/D0AY00486C}, DOI={10.1039/D0AY00486C}, abstractNote={An analytical method for the detection and quantification of anthracene from dermal samples was developed by using Atmospheric Pressure Chemical Ionization-Tandem Mass Spectrometry (APCI-MS/MS).}, number={22}, journal={Analytical Methods}, publisher={Royal Society of Chemistry (RSC)}, author={Sui, Xinyi and Terán, Julio E. and Feng, Chengcheng and Wustrow, Killian and Smith, Caroline J. and Vinueza, Nelson R.}, year={2020}, pages={2820–2826} }
 @inproceedings{terán_2020, title={Red Latinoamericana de Jóvenes Científicos vinculados a la Química}, booktitle={Universidad de El Salvador}, publisher={Universidad de El Salvador}, author={Terán, J.E.}, year={2020}, month={Dec} }
 @inproceedings{terán_2020, title={Substituent Effects on the Fragmentation pathway of Anthraquinone Dyes from the Weaver Dye Library: A Tandem Mass Spectrometry approach}, booktitle={2020 ASMS Conference on Mass Spectrometry and Allied Topics}, author={Terán, J.E.}, year={2020}, month={Jun} }
 @article{contreras-torres_marrero-ponce_terán_garcía-jacas_brizuela_sánchez-rodríguez_2019, title={MuLiMs-MCoMPAs</i>: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors}, volume={60}, ISSN={1549-9596 1549-960X}, url={http://dx.doi.org/10.1021/acs.jcim.9b00629}, DOI={10.1021/acs.jcim.9b00629}, abstractNote={This report introduces the MuLiMs-MCoMPAs software (acronym for Multi-Linear Maps based on N-Metric and Contact Matrices of 3D Protein and Amino-acid weightings), designed to compute tensor-based 3D protein structural descriptors by applying two- and three-linear algebraic forms. Moreover, these descriptors contemplate generalizing components such as novel 3D protein structural representations, (dis)similarity metrics, and multimetrics to extract geometrical related information between two and three amino acids, weighting schemes based on amino acid properties, matrix normalization procedures that consider simple-stochastic and mutual probability transformations, topological and geometrical cutoffs, amino acid, and group-based MD calculations, and aggregation operators for merging amino acidic and group MDs. The MuLiMs-MCoMPAs software, which belongs to the ToMoCoMD-CAMPS suite, was developed in Java (version 1.8) using the Chemistry Development Kit (CDK) (version 1.4.19) and the Jmol libraries. This software implemented a divide-and-conquer strategy to parallelize the computation of the indices as well as modules for data preprocessing and batch computing functionalities. Furthermore, it consists of two components: (i) a desktop-graphical user interface (GUI) and (ii) an API library. The relevance of this novel approach is demonstrated through two analyses that considered Shannon's entropy-based variability and a principal component analysis. These studies showed that the MuLiMs-MCoMPAs' three-linear descriptor family contains higher informational entropy than several other descriptors generated with available computation tools. Moreover, the MuLiMs-MCoMPAs indices capture additional orthogonal information to the one codified by the available calculation approaches. As a result, two sets of suggested theoretical configurations that contain 13648 two-linear indices and 20263 three-linear indices are available for download at tomocomd.com . Furthermore, as a demonstration of the applicability and easy integration of the MuLiMs library into a QSAR-based expert system, a software application (ProStAF) was generated to predict SCOP protein structural classes and folding rate. It can thus be anticipated that the MuLiMs-MCoMPAs framework will turn into a valuable contribution to the chem- and bioinformatics research fields.}, number={2}, journal={Journal of Chemical Information and Modeling}, publisher={American Chemical Society (ACS)}, author={Contreras-Torres, Ernesto and Marrero-Ponce, Yovani and Terán, Julio E. and García-Jacas, César R. and Brizuela, Carlos A. and Sánchez-Rodríguez, Juan Carlos}, year={2019}, month={Oct}, pages={1042–1059} }
 @article{terán_marrero-ponce_contreras-torres_garcía-jacas_vivas-reyes_terán_torres_2019, title={Tensor Algebra-based Geometrical (3D) Biomacro-Molecular Descriptors for Protein Research: Theory, Applications and Comparison with other Methods}, volume={9}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/s41598-019-47858-2}, DOI={10.1038/s41598-019-47858-2}, abstractNote={Abstract}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Terán, Julio E. and Marrero-Ponce, Yovani and Contreras-Torres, Ernesto and García-Jacas, César R. and Vivas-Reyes, Ricardo and Terán, Enrique and Torres, F. Javier}, year={2019}, month={Aug} }
 @misc{terán_2018, title={How to avoid audience “shutdown” while giving a presentation}, url={https://www.aiche.org/community/sites/committees/young-professionals/blog/how-avoid-audience-shutdown-while-giving-presentation}, author={Terán, Julio E.}, year={2018}, month={Aug} }
 @inproceedings{terán_2018, title={Novel 3D descriptors for protein codification based on bi-linear algebraic forms}, booktitle={PCCP Workshop 2018}, author={Terán, J.E.}, year={2018}, month={Jun} }
 @inproceedings{terán_2018, title={Novel 3D descriptors for protein codification based on multi-linear algebraic forms}, booktitle={11th Chemical Engineering Students’ National Meeting CONEIQ 2018}, author={Terán, J.E.}, year={2018}, month={Oct} }
 @article{terán_zambrano_mora_rincón_torres_2018, title={Theoretical investigation of the mechanism for the reductive dehalogenation of methyl halides mediated by the CoI-based compounds cobalamin and cobaloxime}, volume={24}, ISSN={1610-2940 0948-5023}, url={http://dx.doi.org/10.1007/s00894-018-3844-z}, DOI={10.1007/s00894-018-3844-z}, abstractNote={Theoretical calculations focusing on the cleavage of the C-X bond in methyl halides (CH 3 X; X = Cl, Br, I) as mediated by Co I -based systems have been carried out using the hybrid functional ωB97-XD together with the basis set 6-311++G(2d,2p). A total of seven Co I -based compounds were evaluated: cob[I]alamin (Co I Cbl) in its base-on form and cobaloxime (Co I Cbx) with either no ligand or different ligands (either pyridine (PYR), tributylphosphine (TBP), dimethyl sulfide (DMS), cyclohexylisocyanide (CI), or 5,6-dimethylbenzimidazole (DMB)) at the lower axial position. For the large Co I Cbl system, an ONIOM scheme was employed, where the high layer was described at the DFT level and the low layer was computed using the semi-empirical method PM6. A full DFT model was employed for the Co I Cbx cases. An S N 2-like mechanism was evaluated in all cases. The intrinsic reaction coordinate profiles suggested early transition states with activation energies of ≈ 12 kcal/mol, ≈ 10 kcal/mol, and ≈ 5 kcal/mol for C-Cl, C-Br, and C-I cleavage, respectively, which is consistent with the leaving group abilities of these halides. The evolutions of the atomic charges in and the bond orders of Co-C and C-X were computed, and the results confirmed the existence of early transition states (δB av ≈ 40%), where the polarization C δ+ -X δ-  (%E v  ≈ 43%) is the determining factor in the reaction process. Finally, a comparison of all the determined parameters showed that the reaction in the DMB-Co I Cbx system resembles the process that occurs in the larger Co I Cbl, suggesting that the former system could be a reliable model for the study of reductive dehalogenation mediated by vitamin B 12 , which is key to the anaerobic microbiological treatment of halocarbon contaminants.}, number={11}, journal={Journal of Molecular Modeling}, publisher={Springer Science and Business Media LLC}, author={Terán, Julio E. and Zambrano, Cesar H. and Mora, Jose R. and Rincón, L. and Torres, F. J.}, year={2018}, month={Oct} }
 @inproceedings{terán_2017, title={Multi Metric 3D Protein Descriptors: The Correlation Impact of Algebraic Forms and Its Analysis}, booktitle={2017 AIChE Annual Meeting}, author={Terán, J.E.}, year={2017}, month={Oct} }