Results 111 to 120 of about 777,399 (277)

Automated Chemical Reaction Network Generation and Its Application to Exoplanet Atmospheres

The Astrophysical Journal
With the advent of JWST and the spectroscopic characterization of exoplanet atmospheres in unprecedented detail, there is a demand for more complete pictures of chemical and photochemical reactions and their impacts on atmospheric composition ...
Jeehyun Yang, Renyu Hu
doaj   +1 more source

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

Nature Communications, 2019
Computational modelling of chemical systems requires a balance between accuracy and computational cost. Here the authors use transfer learning to develop a general purpose neural network potential that approaches quantum-chemical accuracy for reaction ...
Justin S. Smith, Benjamin T. Nebgen, Roman Zubatyuk, Nicholas Lubbers, Christian Devereux, Kipton Barros, Sergei Tretiak, Olexandr Isayev, Adrian E. Roitberg   +8 more
doaj   +1 more source

Law of Localization in Chemical Reaction Networks

Physical Review Letters, 2016
18 pages 5 figures; v2: minor corrections (accepted for publication in Physical Review Letters)
Okada, Takashi, Mochizuki, Atsushi
openaire   +4 more sources

Engineered extracellular vesicles enriched with the miR‐214/199a cluster enhance the efficacy of chemotherapy in ovarian cancer

Molecular Oncology, EarlyView.
Loss of the miR‐214/199a cluster is associated with recurrence in ovarian cancer. Engineered small extracellular vesicles (m214‐sEVs) elevate miR‐214‐3p/miR‐199a‐5p in tumor cells, suppress β‐catenin, TLR4, and YKT6 signaling, reprogram tumor‐derived sEV cargo, reduce chemoresistance and migration, and enhance carboplatin efficacy and survival in ...
Weida Wang, Ayesha Alvero, Yi Qin, Mingjin Wang, Alexandra Fox, Yanfeng Li, Michael Millman, Amy Kemper, Gil Mor, Xian Shuang Liu, Michael Chopp, Zheng Gang Zhang, Yi Zhang   +12 more
wiley   +1 more source

Vertex-degree-based topological indices of uniform directed hypergraphs

Arab Journal of Basic and Applied Sciences
Modelling a chemical network is crucial for understanding the complex interactions and dynamics within a chemical system, allowing for precise predictions of reaction behaviour under various conditions.
Shashwath S. Shetty, K. Arathi Bhat
doaj   +1 more source

Non-equilibrium dissipative supramolecular materials with a tunable lifetime

Nature Communications, 2017
Biological systems vital functions are based on non-equilibrium states driven by consumption of chemical fuels. Here the authors show a spatiotemporal control over the formation of hydrophobic colloids, hydrogels or inks through a chemical reaction ...
Marta Tena-Solsona, Benedikt Rieß, Raphael K. Grötsch, Franziska C. Löhrer, Caren Wanzke, Benjamin Käsdorf, Andreas R. Bausch, Peter Müller-Buschbaum, Oliver Lieleg, Job Boekhoven   +9 more
doaj   +1 more source

Keratin 19 as a prognostic marker and contributing factor of metastasis and chemoresistance in high‐grade serous ovarian cancer

Molecular Oncology, EarlyView.
Keratin 19 (KRT19) is overexpressed in high‐grade serous ovarian cancer with high levels of Kallikrein‐related peptidases (KLK) 4–7 and is associated with poor survival. In vivo analyses demonstrate that elevated KRT19 increases peritoneal tumour burden.
Sophia Bielesch, Isabel Vogel, Sina Nokodian, Johanna Moeller, Antonia Blechschmidt, Vicky Hecht, Vanessa Kuentzel, Katharina Thiedig, Melissa Schwab, Oliver Schilling, Holger Bronger, Marion Kiechle, Viktor Magdolen, Tobias Dreyer   +13 more
wiley   +1 more source

A human-machine interface for automatic exploration of chemical reaction networks

Nature Communications
Autonomous reaction network exploration algorithms offer a systematic approach to explore mechanisms of complex chemical processes. However, the resulting reaction networks are so vast that an exploration of all potentially accessible intermediates is ...
Miguel Steiner, Markus Reiher
doaj   +1 more source

Establishment of a humanized patient‐derived xenograft mouse model of high‐grade serous ovarian cancer for preclinical evaluation of combination immunotherapy

Molecular Oncology, EarlyView.
We have established a humanized orthotopic patient‐derived xenograft (Hu‐oPDX) mouse model of high‐grade serous ovarian cancer (HGSOC) that recapitulates human tumor–immune interactions. Using combined anti‐PD‐L1/anti‐CD73 immunotherapy, we demonstrate the model's improved biological relevance and enhanced translational value for preclinical ...
Luka Tandaric, Line Bjørge, Martine Rott Lode, Cecilie Fredvik Torkildsen, Pia Aehnlich, Rammah Elnour, Daniela Elena Costea, Lars Andreas Akslen, Liv Cecilie Vestrheim Thomsen, Emmet McCormack, Katrin Kleinmanns   +10 more
wiley   +1 more source

Deciphering transcriptional plasticity in pancreatic ductal adenocarcinoma reveals alterations in sensory neuron innervation

Molecular Oncology, EarlyView.
Pancreatic sensory neurons innervating healthy and PDAC tissue were retrogradely labeled and profiled by single‐cell RNA sequencing. Tumor‐associated innervation showed a dominant neurofilament‐positive subtype, altered mitochondrial gene signatures, and reduced non‐peptidergic neurons.
Elena Genova, Michele Montrone, Uday Rangaswamy, Francesco Diversi, Irene Schiavo, Denise Ferrarini, Roberta Di Florio, Irene Longo, Michele Coscia, Nicola Zamboni, Giorgia Demontis, Lisa Veghini, Vincenzo Corbo, Remo Sanges, Paul Heppenstall   +14 more
wiley   +1 more source