Article
Chemistry, Multidisciplinary
YinBo Zhu, YongChao Wang, Bao Wu, ZeZhou He, Jun Xia, HengAn Wu
Summary: The mechanical behavior of disordered graphene networks (DGNs) was studied, revealing prolonged plastic platforms in tension and shear, and special plastic damages in compression, resulting in tension-compression asymmetry. Additionally, out-of-plane topological defects and average angular defects in deformed DGNs exhibit inverse proportional scaling relationship. Ashby charts demonstrate that the mechanical properties of DGNs can surpass those of most conventional materials, reaching theoretical limits.
Article
Environmental Sciences
R. P. Vivek-Ananth, Ajaya Kumar Sahoo, Shanmuga Priya Baskaran, Janani Ravichandran, Areejit Samal
Summary: Androgen mimicking environmental chemicals can bind to Androgen receptor (AR) and can cause severe effects on male reproductive health. Predicting such endocrine disrupting chemicals (EDCs) in the human exposome is crucial for improving chemical regulations. However, the continuous structure-activity relationship (SAR) doesn't always hold, and activity landscape analysis can help identify unique features such as activity cliffs.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Environmental Sciences
Jeffrey S. Kwang, Evan A. Thaler, Brendon J. Quirk, Caroline L. Quarrier, Isaac J. Larsen
Summary: Soil erosion leads to the loss of soil organic carbon and reduces agricultural productivity. This study develops a model that can predict soil loss and SOC distribution in agricultural fields, using topography as an input. The results show that the model accurately reproduces the spatial patterns of soil loss and can be used to estimate carbon burial and evaluate future soil loss.
JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES
(2022)
Article
Chemistry, Medicinal
Dmitrij Rappoport, Adrian Jinich
Summary: This study constructs and evaluates three-dimensional feature representations of protein structures based on space-filling curves (SFCs), with the aim of accurately predicting protein properties and functions. SFCs, such as the Hilbert curve and the Morton curve, enable the encoding of three-dimensional molecular structures in a system-independent manner using a few adjustable parameters. The performance of the SFC-based feature representations is assessed in predicting enzyme substrate properties, yielding high accuracies and AUC values for the classification tasks.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Multidisciplinary
Hui Li, Fengqian Chen, Xinyu Guan, Jiali Li, Cuiyan Li, Bin Tang, Valentin Valtchev, Yushan Yan, Shilun Qiu, Qianrong Fang
Summary: This study presents the design and synthesis of 3D triptycene-based COFs with specific topologies, which exhibit excellent gas adsorption performance. The materials show potential for diversifying 3D COFs based on complex building blocks and hold promise for applications in energy storage and environmental fields.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Engineering, Marine
Duoc Tan Nguyen, A. J. H. M. Reniers, Dano Roelvink
Summary: This paper investigates the effects of waves on currents in numerical ocean models using vortex-force and radiation stress representations. The study compares the differences and similarities between the two representations under conditions of conservative and nonconservative waves, as well as different sets of equations of mean motion incorporating wave-induced forcing terms. These comparisons aid in the selection of a suitable numerical ocean model for simulating mean currents in combined wave and current conditions.
JOURNAL OF MARINE SCIENCE AND ENGINEERING
(2021)
Article
Neurosciences
George P. Cribaro, Elena Saavedra-Lopez, Leire Romarate, Izaskun Mitxitorena, Laura R. Diaz, Paola V. Casanova, Meritxell Roig-Martinez, Jose M. Gallego, Ana Perez-Valles, Carlos Barcia
Summary: This study provides an in-depth analysis of the cellular composition and microenvironment of human glioblastoma, revealing its structural and biological characteristics. The critical association between tumor cells and neo-vascular niche, as well as the relationship between T cell infiltration and tumor proliferation, were highlighted. The research also discovered distinct cell phenotypes in tumor nests and surrounding tissues.
ACTA NEUROPATHOLOGICA COMMUNICATIONS
(2021)
Article
Urban Studies
Wenning Li, Ranhao Sun, Hongbin He, Liding Chen
Summary: This study proposes a novel landscape pattern three-dimensional metric (LP3DM) to quantitatively represent residents' perceptibility of street landscapes. Using Baidu street view images and Weibo social media data in Beijing, the results show that LP3DM is more significantly correlated with residents' sentiments compared to LP2DM. Notably, the greenness metric plays a crucial role in residents' sentiments. The study emphasizes the importance of considering not only the quantity but also the perceptibility of natural landscape elements in urban construction to enhance residents' emotional well-being.
Article
Mechanics
Suruj Kalita, Rajaraman Ganesh
Summary: The dynamics of a three-dimensional plane Couette flow subjected to a 3D finite amplitude particle velocity perturbation is studied using classical first principles molecular dynamics simulation with screened Coulomb or Yukawa potential. It is found that the system exhibits unique quench behavior of the Reynolds number as a function of time for fixed system size and flow speed. The formation and spreading of turbulent spots in the otherwise laminar flow are influenced by the range of interaction of the Yukawa potential, with potential implications for systems undergoing sub-critical transition to turbulence.
Article
Operations Research & Management Science
Guoqiang Wang, He Luo, Xiaoxuan Hu, Shanlin Yang
Summary: This paper addresses the communication topology optimization problem for a three-dimensional persistent formation with leader constraint, aiming to minimize communication cost while maintaining its shape. An optimization model is established by analyzing the formation shape, network topology, communication topology, and leader constraint. An exact algorithm with three kernel sub-algorithms is proposed to solve the model, and its effectiveness is theoretically proven through a numerical example.
OPTIMIZATION LETTERS
(2021)
Article
Mathematics, Applied
Lian Duan
Summary: This paper proves that a 3-dimensional self-dual Galois representation constructed by van Geemen and Top is isomorphic to a quadratic twist of the symmetric square of the Tate module of an elliptic curve. The proof makes use of the refinement of the Faltings-Serre method to 3-dimensional l-adic self-dual representations with the ground field not equal to Q, utilizing Burnside groups.
MATHEMATICS OF COMPUTATION
(2021)
Article
Polymer Science
Zhixin Guo, Shouke Yan, Guenter Reiter
Summary: 3D single crystals with uniquely oriented hexagonal shape were obtained by isothermal crystallization of isotactic polystyrene. The cracks tended to form along the diagonals of hexagonal stack due to mismatch in coefficients of thermal expansion during quenching. The growth mechanisms leading to 3D single crystals can be observed for all crystallizable polymers.
Article
Gastroenterology & Hepatology
Zhao Yang, Mengran Shi, Youfeng Liang, Fuhan Zhang, Cong Li, Yinying Lu, Taian Yin, Zhaohai Wang, Yongchao Li, Mingxuan Hao, Rui Guo, Hao Yang, Guanglin Lei, Fang Sun, Yu Zhang, Zhuoya Deng, Yuying Tian, Linxiang Yu, Changqing Bai, Lei Wang, Chuanxing Wan, Haifeng Wang, Penghui Yang
Summary: This study reveals the crucial role of chromosomal structure variation in HCC oncogenesis and identifies potential novel biomarkers of HCC, laying a foundation for the development of cancer precision medicine.
JOURNAL OF GASTROENTEROLOGY
(2023)
Article
Neurosciences
Jaroslav Bendl, Mads E. Hauberg, Kiran Girdhar, Eunju Im, James M. Vicari, Samir Rahman, Michael B. Fernando, Kayla G. Townsley, Pengfei Dong, Ruth Misir, Steven P. Kleopoulos, Sarah M. Reach, Pasha Apontes, Biao Zeng, Wen Zhang, Georgios Voloudakis, Kristen J. Brennand, Ralph A. Nixon, Vahram Haroutunian, Gabriel E. Hoffman, John F. Fullard, Panos Roussos
Summary: By generating ATAC-seq libraries from AD cases and controls, we characterized the dysregulation of chromatin accessibility in AD and identified cell-type-specific enhancer-promoter interactions. We utilized interindividual variability in chromatin accessibility to identify cis-regulatory domains capturing the three-dimensional structure of the genome. Additionally, we discovered AD-associated effects on chromatin accessibility, the 3D genome, and transcription factor regulatory networks.
NATURE NEUROSCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Daiki Umeyama, Atsuro Takai, Kazutaka Sonobe
Summary: This study presents a systematic investigation on postsynthetic defect formation in Hofmann-type coordination polymers. The results show that the defect concentration is highly dependent on the combination of metal ions and solvent species, and the solvent-dependent character of defect formation can be used to control the catalytic activity of active compounds.
INORGANIC CHEMISTRY
(2022)