Results 81 to 90 of about 4,129 (201)

Density Functional Theory–Spectroscopy Integrated Identification Method Encompassing Experimental and Theoretical Analyses for Designer Drug Stimulants

Advanced Intelligent Systems, Volume 7, Issue 10, October 2025.
A novel approach integrates gas chromatography‐mass spectrometry with infrared, Raman, and nuclear magnetic resonance spectroscopy plus density functional theory to detect synthetic drugs. Quantum hyperpolarization further boosts NMR sensitivity for low‐concentration samples, improving detection accuracy in complex mixtures and offering promising ...
Keunhong Jeong, Youngjoon Jeon, Sein Min, Tae In Ryu, Young Wook Yoon, Yoonjae Cho, Seung‐Ryul Hwang, Hye Jin Jeong, Sung Soo Kim   +8 more
wiley   +1 more source

Quantum diffusion in liquid water from ring polymer molecular dynamics [PDF]

, 2005
We have used the ring polymer molecular-dynamics method to study the translational and orientational motions in an extended simple point charge model of liquid water under ambient conditions.
Manolopolous, David E., Miller, Thomas F., III   +1 more
core  

Consensus recommendations for hyperpolarized [1‐13C]pyruvate MRI multi‐center human studies

Magnetic Resonance in Medicine, Volume 94, Issue 4, Page 1386-1400, October 2025.
Abstract MRI of hyperpolarized (HP) [1‐13C]pyruvate allows in vivo assessment of metabolism and has translated into human studies across diseases at 15 centers worldwide. To determine consensus on best practice for multi‐center studies for development of clinical applications.
Shonit Punwani, Peder E. Z. Larson, Christoffer Laustsen, Jan VanderMeulen, Jan Henrik Ardenkjær‐Larsen, Adam W. Autry, James A. Bankson, Jenna Bernard, Robert Bok, Lotte Bonde Bertelsen, Jenny Che, Albert P. Chen, Rafat Chowdhury, Arnaud Comment, Charles H. Cunningham, Duy Dang, Ferdia A. Gallagher, Adam Gaunt, Yangcan Gong, Jeremy W. Gordon, Ashley Grimmer, James Grist, Esben Søvsø Szocska Hansen, Mathilde Hauge Lerche, Richard L. Hesketh, Jan‐Bernd Hoevener, Ching‐Yi Hsieh, Kayvan R. Keshari, Sebastian Kozerke, Titus Lanz, Dirk Mayer, Mary McLean, Jae Mo Park, Jim Slater, Damian Tyler, Jean‐Luc Vanderheyden, Cornelius von Morze, Fulvio Zaccagna, Vlad Zaha, Duan Xu, Daniel Vigneron, The HP 13C MRI Consensus Group, Lotte Bonde Bertelsen, Nikolaj Bøgh, Esben Søvsø Szocska Hansen, Christoffer Laustsen, Jack Miller, Michael Vaeggemose, Jonas Steinhauser, Ching‐Yi Hsieh, Gigin Lin, Max Fuetterer, Sebastian Kozerke, Albert Chen, Arnaud Comment, Adam Gaunt, Justin Lau, Avi Leftin, Rolf Schulte, Jean‐Luc Vanderheyden, Irene Marco Rius, Jan‐Bernd Hoevener, Thomas C Booth, Mor Mishkovsky, Christopher Michael Walker, Jim Bankson, Kayvan Keshari, Ramona Woitek, Yuhei Takado, Crystal Vasquez, Sebastien Serres, Christoph A. Müller, Joel Floyd, Titus Lanz, Jan Henrik Ardenkjær‐Larsen, Andrea Capozzi, Mathilde Hauge Lerche, Martin Grashei, Franz Schilling, Geoffrey J Topping, Frits van Heijster, Adam Autry, Jenna Bernard, Bob Bok, Myriam Chaumeil, Jenny Che, Duy Dang, Jeremy Gordon, Yaewon Kim, John Kurhanewicz, Peder Larson, Yan Li, Michael Ohliger, Jim Slater, Renuka Sriram, Dan Vigneron, Zhen Jane Wang, Duan Xu, Ashley Grimmer, Mary McLean, Fulvio Zaccagna, Ferdia Gallagher, Rafat Chowdhury, Yangcan Gong, Shonit Punwani, Richard Hesketh, Jeraj Hassan, Andreas Kjaer, Matthew Merritt, Michael Bock, Andreas Schmidt, Dirk Mayer, Myounghee Lee, James Grist, Damian Tyler, Sarah Birkhoelzer, Jordan McGing, Aaron Axford, Oliver Rider, Fatemeh Khashami, Craig Malloy, Jae Mo Park, Vlad Zaha, Sung‐Han Lin, Junjie Ma, Charles Cunningham, Cornelius von Morze   +126 more
wiley   +1 more source

Next Steps for Hydrogen - physics, technology and the future [PDF]

, 2016
Hydrogen has been proposed as a future energy carrier for more than 40 years. In recent decades, impetus has been given by the need to reduce global greenhouse gas emissions from vehicles.
Glowacki, Bartek, Krishnamurthy, Satheesh, Nuttall, William   +2 more
core  

A pathway toward clinical translation of hyperpolarized [1,4‐13C2,2,3‐d2]fumarate as an imaging biomarker for early cellular necrosis in vivo

Magnetic Resonance in Medicine, Volume 94, Issue 3, Page 1202-1217, September 2025.
Abstract Purpose The detection of hyperpolarized carbon‐13 (HP 13C)‐fumarate conversion to 13C‐malate using 13C‐MRSI is a biomarker for early detection of cellular necrosis. Here, we describe the translation of HP 13C‐fumarate as a novel human imaging agent, including the evaluation of biocompatibility and scaling up of the hyperpolarization methods ...
Jonathan R. Birchall, Pascal Wodtke, Ashley Grimmer, Esben S. S. Hansen, Lotte B. Bertelsen, Nikolaj Bøgh, Marta Wylot, Maria J. Zamora‐Morales, Otso Arponen, Ines Horvat‐Menih, Elizabeth C. Latimer, Fung Tan, Evita Pappa, Johann Graggaber, Joseph Cheriyan, Kelly Holmes, Matthew J. Locke, Helen Sladen, Joan Boren, Mikko I. Kettunen, Anita Chhabra, Ian B. Wilkinson, Christoffer Laustsen, Kevin Brindle, Mary A. McLean, Ferdia A. Gallagher   +25 more
wiley   +1 more source

Directional Radiation and Photodissociation Regions in Molecular Hydrogen Clouds

, 2008
Some astrophysical observations of molecular hydrogen point to a broadening of the velocity distribution for molecules at excited rotational levels. This effect is observed in both Galactic and high redshift clouds. Analysis of H_2, HD, and CI absorption
A. Dalgarno, A. Ivanchik, A. V. Ivanchik, B. L. Rachford, B. T. Draine, B.D. Savage, C. Ledoux, D. A. Varshalovich, D. A. Varshalovich, D. J. Hollenbach, D. J. Hollenbach, E. B. Jenkins, F. Petit Le, H. Abgrall, H. Abgrall, H. Abgrall, H. Bluhm, J. Ge, J. M. Shull, J. M. Shull, J. Tumlinson, L. J. Spitzer, M. Jura, M. Jura, P. Noterdaeme, P. Noterdaeme, P. Petitjean, R. Srianand, R. Srianand, S. A. Balashev, S. A. Levshakov, S. Lacour, T. P. Stecher   +32 more
core   +2 more sources

Assessing a hyperpolarized [1-13C]-labeled alanine derivative enhanced via parahydrogen for in vivo studies

Journal of Magnetic Resonance Open
Magnetic Resonance Imaging (MRI) is a valuable non-invasive technique widely used in clinical diagnostics; however, its sensitivity is limited, posing challenges in various medical conditions.
Lisa M. Fries, Denis Moll, Ruhuai Mei, Theresa L․ K․ Hune, Josef Elsaßer, Stefan Glöggler   +5 more
doaj   +1 more source

Hydrogenation Reaction on Pd-Cu Bimetallic Catalysts: A Parahydrogen-Induced Polarization Study

Chinese Journal of Magnetic Resonance, 2018
Hydrogenation reaction of propyne on Pd-Cu bimetallic catalysts was studied using the heterogeneous parahydrogen-induced polarization (PHIP) nuclear magnetic resonance (NMR) technique.
WANG Wei-yu, HU Han, XU Jun, DENG Feng
doaj   +1 more source

Measurement of the weak nucleon-nucleon interaction by polarized cold neutron capture on protons

EPJ Web of Conferences, 2014
The NPDGamma Experiment at the Spallation Neutron Source at Oak Ridge National Laboratory is measuring the parity-odd correlation between the neutron spin and the direction of the emitted photon in the capture of polarized cold neutrons on protons.
Alarcon R., Blyth D.
doaj   +1 more source

Prandtl-Meyer flow tables for parahydrogen at total temperatures from 30K to 290K and for nitrogen at total temperatures from 100K to 300K at total pressures from 1 ATM to 10 ATM [PDF]

The dependency of Mach number on the Prandtl-Meyer function was numerically determined by iterating the Prandtl-Meyer function and applying the Muller method to converge on the Mach number for flows in cryogenic parahydrogen and nitrogen at various total
Adcock, J. B., Haut, R. C.
core   +1 more source