Results 81 to 90 of about 321,930 (219)

C2PO: an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modification

Journal of Cheminformatics
Peptide drug development is currently receiving due attention as a modality between small and large molecules. Therapeutic peptides represent an opportunity to achieve high potency, selectivity, and reach intracellular targets.
Roy Aerts, Joris Tavernier, Alan Kerstjens, Mazen Ahmad, Jose Carlos Gómez-Tamayo, Gary Tresadern, Hans De Winter   +6 more
doaj   +1 more source

Iterative Selection of DNA Nanostructures for Cellular Uptake

Advanced Materials, EarlyView.
DNA nanostructures are promising cell targeting delivery vehicles for therapeutics, but the targeting behavior is not fully understood. In this study, libraries of DNA nanostructures that can be amplified and sequenced are combined with cellular uptake as a selection pressure to iteratively refine DNA structures taken up in cells to better understand ...
Anjali Rajwar, Lisa Eichhorn, Jakub Palacka, Sandra Ly, Erik Benson   +4 more
wiley   +1 more source

Isolation and characterization of novel hydrocarbon-degrading bacteria from oil polluted soil near Nacharam, Hyderabad, India

Scientific Reports
Petroleum is a vital and strategic energy resource for boosting a country’s GDP. Despite its high economic value, it is considered a primary factor in environmental deterioration.
Syed Arshi Uz Zaman, Anushka Bhrdwaj, Anuraj Nayarisseri, Kamal A. Khazanehdari, Rajabrata Bhuyan   +4 more
doaj   +1 more source

In silico workflow for validation of patient-specific 3D-printed casts in forearm fracture immobilization

Frontiers in Surgery
BackgroundThis paper aims to establish an in silico workflow for biomechanical assessment of patient-specific 3D-printed forearm casts using finite element analysis, and to apply this workflow to compare a novel computationally designed point-of-care ...
Marton Bartos, Marton Bartos, Agoston Jakab Pokorni, Agoston Jakab Pokorni, Benjamin Hajnal, Benjamin Hajnal, Mate Turbucz, Laszlo Horvath-Szekely, Laszlo Horvath-Szekely, Karsa Ferenc Molnár, Karsa Ferenc Molnár, Nándor Orosz, Sebastian Frederick Bigdon, Peter Endre Eltes, Peter Endre Eltes, Peter Endre Eltes   +15 more
doaj   +1 more source

How “Green” is Your Functional Material? Assessing Environmental Impacts of Multi‐Step Synthetic Protocols in Material Sciences at Various Technology Levels

Advanced Materials, EarlyView.
Environmental Synthesis Radar (ESR) evaluates the environmental impact of (early‐stage) multi‐step chemical syntheses, providing a holistic view by using 18 midpoint impact categories. Unlike conventional life‐cycle assessment (LCA) approaches, ESR reveals three complementary metrics: overall impact Vtotal, environmental hotspots VEF, and critical ...
Laura Plein, Alexander Schommer, Florian Dietrich, Moritz Gutsch, Heike Klesper, Kevin Schuller, Lars Jahnke, Jens Leker, Klaus Meerholz   +8 more
wiley   +1 more source

Whole genome of petroleum hydrocarbon degrading Rhodococcus indonesiensis isolated from Nacharam, Hyderabad, India

Scientific Reports
Petroleum pollution poses a critical environmental concern. Bioremediation has gained prominence as an eco-friendly approach for mitigating hydrocarbon pollution.
Syed Arshi Uz Zaman, Khushboo Sharma, Anuraj Nayarisseri, Kamal A. Khazanehdari, Rajabrata Bhuyan   +4 more
doaj   +1 more source

Wavelength‐Multiplexed 2D Beam Steering via a Passive Diffractive Network

Advanced Optical Materials, EarlyView.
Illustration of a wavelength‐multiplexed diffractive beam steering system, which is composed of K cascaded diffractive layers, each containing phase‐modulating elements that are jointly optimized using deep learning–based optimization. When illuminated with a set of wavelengths {λ1,λ2,…,λNw}$\{ {{{\lambda }_1},{{\lambda }_2},\ldots ,{{\lambda }_{{{N}_w}
Che‐Yung Shen, Yuhang Li, Çağatay Işıl, Tianyi Gan, Mona Jarrahi, Aydogan Ozcan   +5 more
wiley   +1 more source

A Pentaradial and Bilateral Combined Photoreception System in the Sea Cucumber is Mediated by a Blue Light‐Sensitive R‐Opsin

Advanced Science, EarlyView.
The sea cucumber Holothuria leucospilota detects blue and adjacent wavelengths of light via an r‐opsin with a maximum absorption at 459 nm. In the oral tentacles, papillae, and tube feet, distinct light‐sensing structures with specialized morphologies are formed, constituting a unique pentaradial and bilateral combined photoreception system.
Jiasheng Huang, Chunhua Ren, Zhou Qin, Yimeng Cui, Bingbing Zhang, Peng Luo, Xuan Wang, Yaoqi Xie, Xin Zhang, Aifen Yan, Yang Zhang, Dingding Fan, Yang Liu, Wenjie Pan, Xiao Jiang, Lihong Yuan, Haipeng Qin, David M. Irwin, Chaoqun Hu, Yang Liu, Ting Chen   +20 more
wiley   +1 more source

Deep Contrastive Learning for High‐Throughput Prediction of Drug Resistance Mutations from Sequences

Advanced Science, EarlyView.
This study presents DeepMutDTA, a deep learning framework aimed at predicting mutation‐induced changes in protein‐drug interactions and prioritizing variants potentially linked to drug resistance. Trained on large‐scale data, it incorporates SimSiam‐MuTF, a label‐aware contrastive fine‐tuning strategy that encourages separation between WT and MT ...
Xiaowen Hu, Pan Zhang, Shangqian Wu, Hao Sun, Minwei Li, Sophia Tsoka, Zizhang Sheng, Lei Deng   +7 more
wiley   +1 more source

Copper‐Driven Epithelial Barrier Disruption: A Novel Mechanism of COPD Acute Exacerbations Mediated by the TNF‐α/ATP7A Axis

Advanced Science, EarlyView.
This study reveals a copper‐driven mechanism of COPD acute exacerbations mediated by the TNF‐α/ATP7A axis. TNF‐α suppresses the copper transporter ATP7A via competitive NF‐κB/CREB1/CBP signaling, resulting in intracellular copper accumulation, mitochondrial oxidative stress, and epithelial barrier disruption.
Xinru Xiao, Yongzhe Hao, Ziqi Ding, Zhipeng Wang, Yujia Shi, Yanhua Huang, Chunjian Qi, Qian Zhang   +7 more
wiley   +1 more source