Results 71 to 80 of about 297,066 (279)

The crystalline sponge method updated

open access: yesIUCrJ, 2016
Crystalline sponges are porous metal complexes that can absorb and orient common organic molecules in their pores and make them observable by conventional X-ray structure analysis (crystalline sponge method).
Manabu Hoshino   +4 more
doaj   +1 more source

Critical assessment of quantum mechanics based energy restraints in protein crystal structure refinement [PDF]

open access: yesProtein Science, 2006
AbstractA critical evaluation of the performance of X‐ray refinement protocols using various energy functions is presented using the bovine pancreatic trypsin inhibitor (BPTI) protein. The four potential energy functions we explored include: (1) fully quantum mechanical calculations; (2) one based on an incomplete molecular mechanics (MM) energy ...
Ning, Yu   +4 more
openaire   +2 more sources

Utility of the APE2 Score as a Diagnostic Tool for Autoimmune Encephalitis

open access: yesAnnals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective To retrospectively evaluate the diagnostic performance of the Antibody Prevalence in Epilepsy and Encephalopathy (APE2) score relative to clinician‐adjudicated autoimmune encephalitis (AE) and the Graus criteria in a tertiary neuroimmunology referral cohort, including antibody‐negative AE.
Bijoya Basu   +3 more
wiley   +1 more source

New AI‐Assisted Approach for Expanding the Solution Space: Application to Lattice Structure Design

open access: yesAdvanced Engineering Materials, EarlyView.
This work introduces an innovative framework for designing structured materials by ex panding the design space through reparameterization of qualitative variables into continuous structural descriptors. Combined with machine‐learning‐based prediction and multi‐objective optimization, the approach enables the discovery of novel lattice architectures ...
G. H. Gahimbare   +5 more
wiley   +1 more source

Optimizing structural modeling for a specific protein scaffold: knottins or inhibitor cystine knots

open access: yesBMC Bioinformatics, 2010
Background Knottins are small, diverse and stable proteins with important drug design potential. They can be classified in 30 families which cover a wide range of sequences (1621 sequenced), three-dimensional structures (155 solved) and functions (> 10).
Chiche Laurent, Gracy Jérôme
doaj   +1 more source

Adaptive Foam 3D Printing of Ultralight and Multifunctional Materials

open access: yesAdvanced Engineering Materials, EarlyView.
Adaptive foam 3D printing, enabled by expandable microspheres, imparts cellular structures to thermoplastic and thermosetting polymers, manufactured through a variety of processes including fused filament fabrication, direct ink writing, digital light processing, and inkjet printing.
Nariman Rajabifar, Amir Ameli
wiley   +1 more source

Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K

open access: yesChemistry Central Journal, 2017
The crystal structure of a commercially available form of human recombinant (HR) insulin, Insugen (I), used in the treatment of diabetes has been determined to 0.92 Å resolution using low temperature, 100 K, synchrotron X-ray data collected at 16,000 keV
David R. Lisgarten   +11 more
doaj   +1 more source

High‐Entropy Alloy Interlayers Toward Advanced Joining for High‐Performance Structural Applications: Current Progress and Emerging Challenges

open access: yesAdvanced Engineering Materials, EarlyView.
HEA interlayers offer a versatile route for joining high‐performance structural materials. Their compositional and structural design regulates interfacial reactions, suppresses brittle IMCs, and improves metallurgical bonding. Sandwich interlayers further integrate defect healing with precipitation strengthening, enabling improved strength–ductility ...
Lin Yuan   +4 more
wiley   +1 more source

Wearable Smart Patches on Sustainable Chitosan With Reversible Microbial Growth‐Inhibitory Properties

open access: yesAdvanced Functional Materials, EarlyView.
ABSTRACT Chitosan, a polysaccharide upcycled from biowaste, has long promised sustainable, biocompatible, and antimicrobial films and devices, an appeal reinforced by its recent regulatory recognition, with several chitosan‐based antibacterial dressings gaining clearance through the Food and Drug Administration's 510(k) pathway.
Jacopo Nicoletti   +16 more
wiley   +1 more source

Price and Non-Price Restraints When Retailers are Vertically Differentiated [PDF]

open access: yes
This paper considers vertical restraints in the context of an intrabrand competition model in which a single manufacturer deals with two vertically differentiated retailers. We establish two main results.
Yaron Yehezkel, Yossef Spiegel
core  

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