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Connecting polymer collapse and the onset of jamming

Physical Review E 2024年第3期109卷 034406-034406页

作者： Alex T. Grigas Aliza Fisher Mark D. Shattuck Corey S. O'Hern Graduate Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA Integrated Graduate Program in Physical and Engineering Biology Yale University New Haven Connecticut 06520 USA Department of Mechanical Engineering and Materials Science Yale University New Haven Connecticut 06520 USA Benjamin Levich Institute and Physics Department The City College of New York New York New York 10031 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA

Previous studies have shown that the interiors of proteins are densely packed, reaching packing fractions that are as large as those found for static packings of individual amino-acid-shaped particles. How can the interiors of proteins take on such high packing fractions given that amino acids are connected by peptide bonds and many amino acids are hydrophobic with attractive interactions? We investigate this question by comparing the structural and mechanical properties of collapsed attractive disk-shaped bead-spring polymers to those of three reference systems: static packings of repulsive disks, of attractive disks, and of repulsive disk-shaped bead-spring polymers. We show that the attractive systems quenched to temperatures below the glass transition T≪Tg and static packings of both repulsive disks and bead-spring polymers possess similar interior packing fractions. Previous studies have shown that static packings of repulsive disks are isostatic at jamming onset, i.e., the number of interparticle contacts Nc matches the number of degrees of freedom, which strongly influences their mechanical properties. We find that repulsive polymer packings are hypostatic at jamming onset (i.e., with fewer contacts than degrees of freedom) but are effectively isostatic when including stabilizing quartic modes, which give rise to quartic scaling of the potential energy with displacements along these modes. While attractive disk and polymer packings are often considered hyperstatic with excess contacts over the isostatic number, we identify a definition for interparticle contacts for which they can also be considered as effectively isostatic. As a result, we show that the mechanical properties (e.g., scaling of the potential energy with excess contact number and low-frequency contribution to the density of vibrational modes) of weakly attractive disk and polymer packings are similar to those of isostatic repulsive disk and polymer packings. Our results demonstrate that static

关键词： Jamming Polymer folding Protein folding Single polymer chains

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Repurposing transfer learning strategy of computer vision for owl sound classification 7

Repurposing transfer learning strategy of computer vision fo...

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7th International Conference on Computer Science and Computational Intelligence, CSCI 2022

作者： Gunawan, Kevin William Hidayat, Alam Ahmad Cenggoro, Tjeng Wawan Pardamean, Bens Computer Science Department BINUS Graduate Program-Master of Computer Science Bina Nusantara University Jakarta11480 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia Computer Science Department School of Computer Science Bina Nusantara University Jakarta11480 Indonesia

Accurately predicting an owl species based on its sound can be helpful for owl conservation. To build an accurate model for owl sound classification, deep learning is currently the most preferred algorithm, due to its excellent performance for modeling audio data. However, deep learning is generally underperformed for a small dataset, which is the case for recognizing scops owl sound. To overcome the issue, we proposed a transfer learning strategy, which is common for computer vision tasks, that can alleviate overfitting in a deep learning model for the owl sound classification. In our approach, we propose a neural network architecture consisting of the backbone of a EfficientNet model pre-Trained on the massive ImageNet database. The model takes the sound input that has been converted as two image representations: Spectrogram and Mel Frequency Cepstral Coefficients. Our strategy enables the use of a relatively small size of pre-Trained image classification model, which is widely available, for transfer learning in owl sound classification. Deploying the lightweight model in an automatic sound classifier provides a fast and accurate tool for various owl conservation purposes. © 2022 Elsevier B.V.. All rights reserved.

关键词： Deep learning

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Identifying Important Usernames in 'Biofarma' Conversation using Twitter Network Analysis 7

Identifying Important Usernames in 'Biofarma' Conversation u...

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7th International Conference on Information Management and Technology, ICIMTech 2022

作者： Rahutomo, Reza Jariyah, Ainun Trinugroho, Joko Pebrianto Pardamean, Bens School of Information Systems Bina Nusantara University Information Systems Department Jakarta11480 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia BINUS Graduate Program-Master of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia

ISBN: (数字)9781665450904

ISBN: (纸本)9781665450904

This study analyzed interactions between Twitter users in conversations regarding Indonesia's state-owned vaccine manufacturer 'Biofarma' in 2021. The primary objective of this study is to identify Key Opinion Leaders (KOL) due to the need of authentic and trustworthy persona in social media. A technique called network centrality was employed in this research alongside four centrality measurements, namely degree of centrality, eigenvector centrality, betweenness centrality, and closeness centrality. Focused on using a reply network interaction dataset, the research discovered several important usernames with different roles that enlivened the conversation and have a potential for social media marketing optimization. © 2022 IEEE.

关键词： Marketing

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BERT-based Topic Modeling Approach for Malaria Research Publication 4

BERT-based Topic Modeling Approach for Malaria Research Publ...

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4th International Conference on Informatics, Multimedia, Cyber and Information System, ICIMCIS 2022

作者： Hidayat, Alam Ahmad Nirwantono, Rudi Budiarto, Arif Pardamean, Bens Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia School of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia Bina Nusantara University Binus Graduate Program - Master of Computer Science Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9781665473279

Malaria is a communicable disease with half of the global population at risk due to its high morbidity and mortality rates. A massive number of studies are dedicated to malaria research, so it plays a key role in formulating the proper prevention strategy and effective malaria treatment. With the overwhelming number of updated publications in the field, an unsupervised text mining approach such as topic modeling may provide an alternative method for the malaria researcher to keep pace with new insights. In this work, we collect metadata of malaria publications from the PubMed database to perform BERT-based topic modeling to find well-defined topics regarding malaria research. The method is largely based on the popular BERTopic pipeline. We compare the performance of three different language models to generate document embeddings from the data. The dimension reduction and the density-based clustering algorithm are used to cluster the embeddings. The topic representation is computed based on the semantic similarity of the class TF-IDF representation. The substance of the resulting topics is then manually annotated based on the top words of each topic. We demonstrate that by merging initial topics into larger topics using hierarchical clustering and manual content-based examination, the evaluated coherence measure can be further improved, thus enhancing the topic's interpretability. Our modeling result is able to extract ten major topics recurring in the malaria research publication published from 2017-2022. The result provides preliminary insight to understand the dynamics and patterns of malaria research over the years © 2022 IEEE.

关键词： Diseases

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Multiomics Reveals Induction of Neuroblastoma SK-N-BE(2)C Cell Death by Mitochondrial Division Inhibitor 1 through Multiple Effects

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Journal of Proteome Research 2024年第1期23卷 301-315页

作者： Wang, Wei-Hsuan Kao, Yi-Chun Hsieh, Chiao-Hui Tsai, Shin-Yu Cheung, Chantal Hoi Yin Huang, Hsuan-Cheng Juan, Hsueh-Fen Genome and Systems Biology Degree Program Academia Sinica and National Taiwan University Taipei 106 Taiwan Department of Life Science National Taiwan University Taipei 106 Taiwan Center for Computational and Systems Biology National Taiwan University Taipei 106 Taiwan Institute of Biomedical Informatics National Yang Ming Chiao Tung University Taipei 112 Taiwan Graduate Institute of Biomedical Electronics and Bioinformatics National Taiwan University Taipei 106 Taiwan Center for Advanced Computing and Imaging in Biomedicine National Taiwan University Taipei 106 Taiwan

Mitochondrial division inhibitor 1 (Mdivi-1) is a well-known synthetic compound aimed at inhibiting dynamin-related protein 1 (Drp1) to suppress mitochondrial fission, making it a valuable tool for studying mitochondrial dynamics. However, its specific effects beyond Drp1 inhibition remain to be confirmed. In this study, we employed integrative proteomics and phosphoproteomics to delve into the molecular responses induced by Mdivi-1 in SK-N-BE(2)C cells. A total of 3070 proteins and 1945 phosphorylation sites were identified, with 880 of them represented as phosphoproteins. Among these, 266 proteins and 97 phosphorylation sites were found to be sensitive to the Mdivi-1 treatment. Functional enrichment analysis unveiled their involvement in serine biosynthesis and extrinsic apoptotic signaling pathways. Through targeted metabolomics, we observed that Mdivi-1 enhanced intracellular serine biosynthesis while reducing the production of C24:1-ceramide. Within these regulated phosphoproteins, dynamic dephosphorylation of proteasome subunit alpha type 3 serine 250 (PSMA3-S250) occurred after Mdivi-1 treatment. Further site-directed mutagenesis experiments revealed that the dephosphorylation-deficient mutant PSMA3-S250A exhibited a decreased cell survival. This research confirms that Mdivi-1’s inhibition of mitochondrial division leads to various side effects, ultimately influencing cell survival, rather than solely targeting Drp1 inhibition. © 2023 American Chemical Society.

关键词： Mdivi-1 multiomics neuroblastoma phosphoproteome proteome targeted metabolome

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Machine Learning Approach for Single Nucleotide Polymorphism Selection in Genetic Testing Results

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Procedia Computer Science 2023年 227卷 46-54页

作者： Joko Pebrianto Trinugroho Alam Ahmad Hidayat Mahmud Isnan Bens Pardamean Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta 11480 Indonesia Department of Mathematics School of Computer Science Bina Nusantara University Jakarta 11480 Indonesia Computer Science Department BINUS Graduate Program Bina Nusantara University Jakarta 11480 Indonesia

Lactose intolerance is a type of digestive problem that may threaten the population because milk and dairy products compose of nutrients that are essential for human body. Genetic tests possess a great potential to detect lactose intolerance as it can be used in children and even infants. However, a new approach to analyze the genetic test results is needed to elucidate the Single Nucleotide Polymorphisms (SNPs) that are related to lactose intolerance. In this work, we utilized the machine learning based feature selection to select the SNPs associated with lactose tolerance trait from genotyping samples of direct-to-customer (DTCG genetic tests, obtained from the public database. Recursive Feature Elimination (RFE) with XGBoost model was used to perform feature selection. We also compared three different models, such as XGBoost, support vector machine (SVM), and random forest (RF) for training the selected features. Our findings revealed that 20 SNPs (out of 3501) were chosen, with rs4394668 as the most important variables (F-score 0.009). Furthermore, when compared to the RF and SVM models, the XGBoost model had the highest accuracy (0.87). Further studies should be undertaken to elucidate how the selected SNPs may lead to the lactose intolerance trait.

关键词： lactose intolerance SNP genetic test feature selection

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The Technology behind Genomic Database 4

The Technology behind Genomic Database

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4th International Conference on Cybernetics and Intelligent System, ICORIS 2022

作者： Trinugroho, Joko Pebrianto Perbangsa, Anzaludin Samsinga Pardamean, Bens Bina Nusantara University Bioinformatics and Data Science Research Center Jakarta11480 Indonesia School of Information Systems Bina Nusantara University Information Systems Department Jakarta11480 Indonesia Bina Nusantara University BINUS Graduate Program - Master of Computer Science Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9781665453950

In this digital era, we are exposed to a large amount of data. This includes biological data, which stores information about living organisms, including Deoxyribonucleic acid (DNA), genes, and proteins. With the development of information technology and information system, most of available biological data are stored in an online public database. Many of the databases are free-access and easily used, which helps the users, especially researchers, to make use of the data. Among the known public biological databases are the University of California Santa Cruz (UCSC) Genome Browser Database and the Rat Genome Database (RGD). These two databases provide access to the biological data from different organisms. This paper aims to describe the technology of public biological databases. Also elucidated in this paper are the differences features between UCSC Genome Browser Database and the RGD. Our results showed that the UCSC contains much more biological data and features than the RGD. However, the genome browser of UCSC has a complex display, while the RGD has a simple display. Overall, both databases give the users the option to choose the most suitable database for them. © 2022 IEEE.

关键词： Rats

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Database Management System Design Improvement for Child Stunting Data Collection in Multiple Observation Areas 7

Database Management System Design Improvement for Child Stun...

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7th International Conference on Information Management and Technology, ICIMTech 2022

作者： Rahutomo, Reza Elwirehardja, Gregorius Natanael Dominic, Nicholas Caesario, Benedict Pardamean, Bens School of Information Systems Bina Nusantara University Information Systems Department Jakarta11480 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia BINUS Graduate Program - Master of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia

ISBN: (数字)9781665450904

ISBN: (纸本)9781665450904

The launch of StuntingDB is believed to enliven the role of database management systems (DBMS) in Indonesia's stunting research. However, a novelty in stunting data management that enables parallel project activation in multiple observation areas is necessary. Several improved functionalities in StuntingDB must be designed to prevent the high demand for accessibility in the middle of stunting research. Connolly and Begg's principle of database design is adopted along with Software Development Life Cycle's Waterfall model for creating a continuous development of the system. This research produces a new database design in the form of Entity Relationship Diagram (ERD) and Use Case Diagram to help system developers realizing a new version of StuntingDB for stunting research in several observation areas. © 2022 IEEE.

关键词： Database systems

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Database Design for Pre-Eclampsia Case Administration 8

Database Design for Pre-Eclampsia Case Administration

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8th International Conference on Information Technology and Digital Applications, ICITDA 2023

作者： Asadi, Faisal Elwirehardja, Gregorius Natanael Trinugroho, Joko Pebrianto Rahutomo, Reza Pardamean, Bens School of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia Bina Nusantara University Bioinformatics and Data Science Research Center Jakarta11480 Indonesia School of Information Systems Bina Nusantara University Information System Department Jakarta11480 Indonesia Bina Nusantara University Binus Graduate Program Master of Computer Science Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9798350344691

The Ministry of Health of Indonesia has referred to pre-eclampsia as one of the most severe diseases affecting women. As an urgency, it is crucial to administrate pre-eclampsia cases for disease prevention as a long-term national healthcare strategy. Regarding health science, case data was significant in developing research and innovation. However, the main problem regarding pre-eclampsia case administration is data handling, recording, and management incompetence. Hence, this research proposed a conceptual design of a database for pre-eclampsia case administration. The proposed design covered conceptual, logical, and physical design. We elaborate the concept into three concepts of pre-eclampsia disease: pre-treatment, treatment, and post-treatment. This study proposed a solution to gain more data and study pre-eclampsia disease in Indonesia. © 2023 IEEE.

关键词： Medical informatics

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Machine Learning Implementations in Childhood Stunting Research: A Systematic Literature Review 8

Machine Learning Implementations in Childhood Stunting Resea...

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8th International Conference on Information Management and Technology, ICIMTech 2023

作者： Rahutomo, Reza Elwirehardja, Gregorius Natanael Isnan, Mahmud Asadi, Faisal Pardamean, Bens School of Information Systems Bina Nusantara University Information Systems Department Jakarta11480 Indonesia School of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta11480 Indonesia Binus Graduate Program - Master of Computer Science Bina Nusantara University Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9798350326093

Childhood stunting is a condition anticipated to affect the growth potential of children under the age of five. With numerous stunting researches that have been conducted, stunting datasets are now widely available to facilitate stunting research. This provides an opportunity to implement machine learning (ML) principles to produce a broader insight or a novel technique in stunting prediction. A systematic literature review is necessary to discover the landscape of machine learning implementation in the application domain as a preliminary study for creating an effective research roadmap. This paper presents a systematic literature review (SLR) of 22 curated manuscripts that focuses on identifying the ML models applied in stunting research, as well as the datasets used in such studies that were published during 2017-2022. The SLR process found that ML principles have been applied in stunting research since 2017, and the diversity of ML implementation has become more varied in 2021-2022. In terms of ML models, XGBoost and Random Forest are recognized as the two most utilized models, and stunting prediction is the most common ML implementation. The majority of stunting research utilizing ML has been conducted in Indonesia. Although national survey data has been the most commonly utilized dataset in stunting research, researchers in Indonesia have shown a preference for utilizing data from regional or independent surveys. This study will be followed by developing a classifier model for stunted children using XGBoost and Random Forest algorithms. The model will be trained on a dataset generated from StuntingDB. © 2023 IEEE.

关键词： Machine learning

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