Results 31 to 40 of about 491,908 (250)

Initial Chemical Events in the Energetic Material RDX under Shock Loading: Role of Defects [PDF]

, 2004
We use the recently developed reactive force field ReaxFF with molecular dynamics (MD) to study the role of voids on the initial chemical events in the high-energy material RDX under shock loading.
Goddard, William A., III, Strachan, Alejandro, van Duin, Adri C. T.   +2 more
core   +1 more source

Calpain small subunit homodimerization is robust and calcium‐independent

FEBS Letters, EarlyView.
Calpains dimerize via penta‐EF‐hand (PEF) domains. Using single‐molecule force spectroscopy, we measured the strength and kinetics of PEF–PEF homodimer binding. The interaction is robust, shows a transient conformational step before dissociation, and remains largely insensitive to Ca2+.
Nesha May O. Andoy, Trina Dykstra‐MacPherson, Mathias A. Bell, Peter L. Davies, Ruby May A. Sullan   +4 more
wiley   +1 more source

Cluster-induced crater formation

, 2008
Using molecular-dynamics simulation, we study the crater volumes induced by energetic impacts ($v= 1- 250$ km/s) of projectiles containing up to N=1000 atoms.
Aderjan, Anders, Anders, Andersen, Andersen, Bouneau, Brunelle, Brunelle, Christian Anders, Colla, Colla, Colla, Daw, Gades, Gerolf Ziegenhain, Hansen, Herbert M. Urbassek, Insepov, Michels, Salonen, Schäfer, Shapiro, Steffen Zimmermann, Upadhyay, Wilson, Yamaguchi, Ziegler, Zimmermann, Zimmermann   +28 more
core   +1 more source

Modeling and analysis of a phase field system for damage and phase separation processes in solids [PDF]

, 2013
In this work, we analytically investigate a multi-component system for describing phase separation and damage processes in solids. The model consists of a parabolic diffusion equation of fourth order for the concentration coupled with an elliptic system ...
Bonetti, Elena, Heinemann, Christian, Kraus, Christiane, Segatti, Antonio   +3 more
core   +3 more sources

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Mathematical modeling of the dynamics of a shovel with flexible coupling [PDF]

, 2015
To study the possible ergonomic and energetic advantages on the use of a shovel with a flexible coupling, a dynamic analysis of the motion of the blade together with the lifted raw material was conducted.
Friso, Dario, Haller, Hans Peter, Zingerle, Martin   +2 more
core   +1 more source

A methionine‐lined active site governs carbocation stabilization and product specificity in a bacterial terpene synthase

FEBS Letters, EarlyView.
This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel, Carl P. O. Helmer, Shani Zev, Ronja Driller, Emily Buhr, Markus Reinbold, Renana Schwartz, Gabriel Foley, Mikael Boden, Daniel Garbe, Gerhard Schenk, Dan Thomas Major, Bernhard Loll, Thomas Brück   +13 more
wiley   +1 more source

Valosin‐containing protein counteracts ATP‐driven dissolution of FUS condensates through its ATPase activity in vitro

FEBS Letters, EarlyView.
Biomolecular condensates formed by fused in sarcoma (FUS) are dissolved by high ATP concentrations yet persist in cells. Using a reconstituted system, we demonstrate that valosin‐containing protein (VCP), an AAA+ ATPase, counteracts ATP‐driven dissolution of FUS condensates through its D2 ATPase activity.
Hitomi Kimura, Shin‐ichi Tate, Kyota Yasuda   +2 more
wiley   +1 more source

Ultra-fast self-assembly and stabilization of reactive nanoparticles in reduced graphene oxide films. [PDF]

, 2016
Nanoparticles hosted in conductive matrices are ubiquitous in electrochemical energy storage, catalysis and energetic devices. However, agglomeration and surface oxidation remain as two major challenges towards their ultimate utility, especially for ...
Bao, Wenzhong, Chen, Yanan, Dai, Jiaqi, Danner, Valencia A, Egan, Garth C, Fu, Kun, Hu, Liangbing, Jacob, Rohit Jiji, Li, Teng, Wan, Jiayu, Wang, Yanbin, Wang, Yibo, Yao, Yonggang, Zachariah, Michael R, Zhou, Wenbo, Zhu, Shuze   +15 more
core   +2 more sources

Aggressive prostate cancer is associated with pericyte dysfunction

Molecular Oncology, EarlyView.
Tumor‐produced TGF‐β drives pericyte dysfunction in prostate cancer. This dysfunction is characterized by downregulation of some canonical pericyte markers (i.e., DES, CSPG4, and ACTA2) while maintaining the expression of others (i.e., PDGFRB, NOTCH3, and RGS5).
Anabel Martinez‐Romero, Ane Martinez‐Larrinaga, Joaquim Grego‐Bessa, Saioa Garcia‐Longarte, Hielke van Splunder, Ianire Astobiza, Amaia Ercilla, Laura Bozal‐Basterra, Isabel Mendizabal, Pilar Villacampa, Arkaitz Carracedo, Mariona Graupera   +11 more
wiley   +1 more source