Engineering topics

Tian, Chuan

Publications and source records attributed to Tian, Chuan.

4 records

DOE OSTI2024

phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids

Phosphorylated amino acids are involved in many cell regulatory networks; proteins containing these post-translational modifications are widely studied both experimentally and computationally. Simulations are used to investigate a wide range of structural and dynamic properties of biomolecules, such as ligand binding, enzyme-reaction mechanisms, and protein folding. However, the development of force field parameters for the simulation of proteins containing phosphorylated amino acids using the Amber program has not kept pace with the development of parameters for standard amino acids, and it is challenging to model these modified amino acids with accuracy comparable to proteins containing only standard amino acids. In particular, the popular ff14SB and ff19SB models do not contain parameters for phosphorylated amino acids. Here, the dihedral parameters for the side chains of the most common phosphorylated amino acids are trained against reference data from QM calculations adopting the ff14SB approach, followed by validation against experimental data. Finally, library files and corresponding parameter files are provided, with versions that are compatible with both ff14SB and ff19SB.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Methods for attaching transmitters to animals

Methods for attaching a radio frequency (RF) transmitter to an animal are provided. The methods can include providing an RF transmitter and providing an injection device having a needle of gauge of 9 or smaller; providing the RF transmitter into the injection device; and providing the RF transmitter through the 9 gauge or smaller needle and into the animal.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

An implantable biomechanical energy harvester for animal monitoring devices

Insufficient service life and the resulting need for battery replacements have been a great challenge for implantable electronic devices. This is particularly true for animal tracking applications, because recapturing animals is often unlikely once they are released to the wild. To tackle this problem, we developed a biomechanical energy harvester that uses a Macro Fiber Composite™ (MFC) piezoelectric beam to harvest the mechanical energy from animals’ body bending movements as the power source for implantable and wearable devices. Prototypes of an underwater acoustic transmitter using this technology were subdermally implanted into juvenile white sturgeon and their energy harvesting performance was evaluated through the device’s transmissions. Additionally, the fish successfully recovered from the implantation surgery and freely swam inside a tank. The transmitter prototypes in the fish continually transmitted signals for a period up to 5 weeks. A benchtop test setup was also created to emulate the fish’s body bending, estimate the device’s energy harvesting performance in the live fish, and perform accelerated fatigue testing of the energy harvester by applying test parameters learned from a video study of the fish’s body movement and behavior characteristics. The gradual depolarization of the piezoelectric ceramic material in the MFC under cyclic mechanical loading was the main limiting factor for the life span of the energy harvester. Pathways for improvement are proposed to achieve long-term efficacy of powering implantable and wearable electronic devices.

42 ENGINEERING↗

DOE OSTI2022

Transmitters for animals and methods for transmitting from animals

Animal transmitters are provided that can include: a transducer configured to transmit a signal; process circuitry coupled to the transducer; and an energy harvesting element coupled to the process circuitry. Animals having a transmitter coupled thereto are also provided with the transmitter including an energy harvesting element in operational alignment with the animal's musculoskeletal system. Methods for transmitting the location of an animal are also provided with the methods including: coupling a transmitter powered by an energy harvesting element to the animal; and monitoring the transmissions of the transmitter.

Deng, Z. Daniel↗