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Publications

Structural and kinetic effects on changes in the CO2 binding pocket of human carbonic anhydrase II

Cornell Affiliated Author(s)
Author
D. West
C.U. Kim
C. Tu
A.H. Robbins
Sol Gruner
D.N. Silverman
R. McKenna
Abstract

This work examines the effect of perturbing the position of bound CO 2 in the active site of human carbonic anhydrase II (HCA II) on catalysis. Variants of HCA II in which Val143 was replaced with hydrophobic residues Ile, Leu, and Ala were examined. The efficiency of catalysis in the hydration of CO2 for these variants was characterized by 18O exchange mass spectrometry, and their structures were determined by X-ray crystallography at 1.7-1.5 Å resolution.

Journal
Biochemistry
Date Published
Research Area
Group (Lab)
Sol M. Gruner Group

Synthesis and formation mechanism of aminated mesoporous silica nanoparticles

Cornell Affiliated Author(s)
Author
T. Suteewong
H. Sai
M. Bradbury
L.A. Estroff
Sol Gruner
U. Wiesner
Abstract

We report the room temperature formation of aminated mesoporous silica nanoparticles (NH 2-MSNs) by means of co-condensation of different molar ratios of tetraethyl orthosilicate (TEOS) and 3-aminopropyl triethoxysilane (APTES) in the synthesis feed. The resulting materials are characterized by a combination of transmission electron microscopy (TEM), small-angle X-ray scattering (SAXS), Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA), and N 2 adsorption/desorption measurements.

Journal
Chemistry of Materials
Date Published
Group (Lab)
Sol M. Gruner Group

High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography

Cornell Affiliated Author(s)
Author
S. Boutet
L. Lomb
G.J. Williams
T.R.M. Barends
A. Aquila
R.B. Doak
U. Weierstall
D.P. DePonte
J. Steinbrener
R.L. Shoeman
M. Messerschmidt
A. Barty
T.A. White
S. Kassemeyer
R.A. Kirian
M.M. Seibert
P.A. Montanez
C. Kenney
R. Herbst
P. Hart
J. Pines
G. Haller
Sol Gruner
H.T. Philipp
M.W. Tate
M. Hromalik
L.J. Koerner
N. Van Bakel
J. Morse
W. Ghonsalves
D. Arnlund
M.J. Bogan
C. Caleman
R. Fromme
C.Y. Hampton
M.S. Hunter
L.C. Johansson
G. Katona
C. Kupitz
M. Liang
A.V. Martin
K. Nass
L. Redecke
F. Stellato
N. Timneanu
D. Wang
N.A. Zatsepin
D. Schafer
J. Defever
R. Neutze
P. Fromme
J.C.H. Spence
H.N. Chapman
I. Schlichting
Abstract

Structure determination of proteins and other macromolecules has historically required the growth of high-quality crystals sufficiently large to diffract x-rays efficiently while withstanding radiation damage. We applied serial femtosecond crystallography (SFX) using an x-ray free-electron laser (XFEL) to obtain high-resolution structural information from microcrystals (less than 1 micrometer by 1 micrometer by 3 micrometers) of the well-characterized model protein lysozyme.

Journal
Science
Date Published
Research Area
Group (Lab)
Sol M. Gruner Group

Protein crowding impedes pressure-induced unfolding of staphylococcal nuclease

Cornell Affiliated Author(s)
Author
S. Wang
M.W. Tate
Sol Gruner
Abstract

Background: In the cellular environment, macromolecules occupy about 30% of a cell's volume. In this crowded environment, proteins behave very differently than in dilute solution where scientists typically study the properties of proteins. For this reason, recent studies have investigated proteins in cell-like crowded conditions so as to understand if this changes their properties. The present study was performed to examine if molecular crowding impedes the protein unfolding process that is known to occur upon the application of high pressure.

Journal
Biochimica et Biophysica Acta - General Subjects
Date Published
Funding Source
DMR-0225180
DEFG02-97ER62443
Research Area
Group (Lab)
Sol M. Gruner Group

High-speed in situ X-ray scattering of carbon nanotube film nucleation and self-organization

Cornell Affiliated Author(s)
Author
E.R. Meshot
E. Verploegen
M. Bedewy
S. Tawfick
A.R. Woll
K.S. Green
M. Hromalik
L.J. Koerner
H.T. Philipp
M.W. Tate
Sol Gruner
A.J. Hart
Abstract

Figure Persented: The production of high-performance carbon nanotube (CNT) materials demands understanding of the growth behavior of individual CNTs as well as collective effects among CNTs. We demonstrate the first use of grazing incidence small-angle X-ray scattering to monitor in real time the synthesis of CNT films by chemical vapor deposition. We use a custom-built cold-wall reactor along with a high-speed pixel array detector resulting in a time resolution of 10 msec.

Journal
ACS Nano
Date Published
Research Area
Group (Lab)
Sol M. Gruner Group

Solving structure with sparse, randomly-oriented x-ray data

Cornell Affiliated Author(s)
Author
H.T. Philipp
K. Ayyer
M.W. Tate
V. Elser
Sol Gruner
Abstract

Single-particle imaging experiments of biomolecules at x-ray free-electron lasers (XFELs) require processing hundreds of thousands of images that contain very few x-rays. Each low-fluence image of the diffraction pattern is produced by a single, randomly oriented particle, such as a protein. We demonstrate the feasibility of recovering structural information at these extremes using low-fluence images of a randomly oriented 2D x-ray mask.

Journal
Optics Express
Date Published
Group (Lab)
Sol M. Gruner Group
Veit Elser Group

Asynchronous and synchronous implementations of the autocorrelation function for the FPGA X-ray pixel array detector

Cornell Affiliated Author(s)
Author
M.S. Hromalik
K. Green
H. Philipp
M.W. Tate
Sol Gruner
Abstract

The design of the FPGA Pixel Array Detector (PAD) prototype and initial experimental results of real-time implementations of its autocorrelation function are presented. This is a pixelated 2D silicon device for detecting X-rays in X-ray Diffraction Experiments and is comprised of three layers: the diode detection and ASIC analog electronics layers connected by a massively parallel interface to a third FPGA layer consisting of a Xilinx XC6VLX550T device. A high-speed labor intensive asynchronous interface as well as a more traditional synchronous interface will be presented.

Conference Name
.
Date Published
Group (Lab)
Sol M. Gruner Group

Single-crystal CVD diamonds as small-angle X-ray scattering windows for high-pressure research

Cornell Affiliated Author(s)
Author
S. Wang
Y.-F. Meng
N. Ando
M. Tate
S. Krasnicki
C.-S. Yan
Q. Liang
J. Lai
H.-K. Mao
Sol Gruner
R.J. Hemley
Abstract

Small-angle X-ray scattering (SAXS) was performed on single-crystal chemical vapor deposition (CVD) diamonds with low nitrogen concentrations, which were fabricated by microwave plasma-assisted chemical vapor deposition at high growth rates. High optical quality undoped 500 m-thick single-crystal CVD diamonds grown without intentional nitrogen addition proved to be excellent as windows on SAXS cells, yielding parasitic scattering no more intense than a 7.5 m-thick Kapton film. A single-crystal CVD diamond window was successfully used in a high-pressure SAXS cell.

Journal
Journal of Applied Crystallography
Date Published
Group (Lab)
Sol M. Gruner Group

Networked and chiral nanocomposites from ABC triblock terpolymer coassembly with transition metal oxide nanoparticles

Cornell Affiliated Author(s)
Author
M. Stefik
S. Wang
R. Hovden
H. Sai
M.W. Tate
D.A. Muller
U. Steiner
Sol Gruner
U. Wiesner
Abstract

Multicomponent materials with ordered nanoscale networks are critical for applications ranging from microelectronics to energy conversion and storage devices which require charge transport along 3-dimensional (3D) continuous pathways. The network symmetry can facilitate additional properties such as macroscopic polarization for piezoelectric, pyroelectric, and second-order nonlinear optical properties in non-centrosymmetric morphologies. Although pure block copolymers are able to form multiple network morphologies, network tunability remains a challenge for coassembled systems.

Journal
Journal of Materials Chemistry
Date Published
Group (Lab)
Sol M. Gruner Group