Article
Microbiology
Sarah Kim, Walter M. Yamada, Brandon Duncanson, Jocelyn Nole, Stephanie Rogers, Sarah Parker, Meredith Bacci, Nino Mtchedlidze, Charles A. Peloquin, Arnold Louie, Stephan Schmidt, George L. Drusano, Michael N. Neely
Summary: The study utilized a model-informed strategy to accelerate discovery of drug combinations against Mycobacterium tuberculosis in acid-phase metabolic state. The combination of pretomanid and moxifloxacin effectively eradicated M. tuberculosis and prevented emergence of less susceptible isolates in the acid growth phase. Adding bedaquiline as a third drug shortened the time to total and less susceptible bacterial suppression significantly faster than the 2-drug regimen.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
(2021)
Article
Computer Science, Interdisciplinary Applications
Shiguang Zhang, Chunlei Li, Lin Cao, Michael A. J. Moser, Wenjun Zhang, Zhiqin Qian, Bing Zhang
Summary: This study modeled the process of liver tissue carbonization with laser ablation and found four stages of liver tissue carbonization during LA. The study also demonstrated an acceptable agreement between computer simulation and ex vivo experiments in predicting the development of liver tissue carbonization.
COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE
(2022)
Article
Microbiology
Sazlyna Mohd Sazlly Lim, Aaron J. Heffernan, Jason A. Roberts, Fekade B. Sime
Summary: The study demonstrated that the fosfomycin-sulbactam combination therapy showed synergistic effects against CR-AB isolates, reducing MIC values and achieving a moderate probability of bacterial burden reduction. This suggests that FOS/SUL may be a potential effective treatment for certain CRAB infections.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
(2021)
Article
Energy & Fuels
Jessica N. Castillo, Verny F. Resabala, Luigi O. Freire, Byron P. Corrales
Summary: Research and algorithms are being developed worldwide to predict and estimate the consumption of electrical energy in buildings and other facilities. This particular study developed a mathematical model to simulate the energy consumption of a building's main electrical loads. By collecting and analyzing data, the researchers proposed a solution to optimize the building's energy consumption profile.
Article
Chemistry, Analytical
Laura Pires da Mata Costa, Amanda L. T. Brandao, Jose Carlos Pinto
Summary: Polystyrene chemical recycling via pyrolysis is an appropriate method for post-consumption material disposal. However, there is a lack of modeling studies on the degradation mechanism. This study developed a detailed mechanistic model to understand the kinetics of polystyrene degradation and validated the model through experimental data.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Geosciences, Multidisciplinary
Jinbi Ye, Mohammadreza Koopialipoor, Jian Zhou, Danial Jahed Armaghani, Xiaoli He
Summary: Novel techniques were developed in this study to predict and simulate the flyrock phenomenon in mines due to blasting, with GP and RF models showing good performance in predicting flyrock distance in different quarry sites in Malaysia. Monte Carlo simulation was used to analyze flyrock risk, showing that only 10% of flyrock events will exceed 290 m, which can help in identifying blast safety areas for blasting operations.
NATURAL RESOURCES RESEARCH
(2021)
Article
Multidisciplinary Sciences
Nicholas Fritz, Daniel Gulick, Mark Bailly, Jennifer M. Blain Christen
Summary: Optogenetics offers a less-invasive alternative to electrical stimulation for interfacing with the nervous system, but faces challenges of light scattering and absorption in tissues. The use of multiple focused light emissions may help overcome these limitations but requires careful design considerations for effective stimulation of nerves.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Physical
Mehdi Ansari-Rad
Summary: The study uses kinetic Monte Carlo simulations to investigate the transport and annihilation of triplet excitons in organic phosphorescent host-guest systems. The results show that triplet transport in this system is dispersive during their lifetime under typical parameters, and a modified rate coefficient is proposed to explain the annihilation process. Valuable insights into the statistics of annihilation and efficiency roll-off are obtained through a probability density function analysis of triplet decay.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Mechanics
Haibing Peng
Summary: Despite the widespread use of Navier-Stokes equations in computational-fluid-dynamics (CFD), there are still unanswered questions due to the absence of considering the statistical nature of discrete air molecules. In this study, we propose a statistical mechanics-based approach called the volume-element method, which allows for the numerical evaluation of aerodynamic lift and drag. We obtained pressure and friction values as a function of the angle of attack for flat-plate airfoils, and this method can be directly applied to convex-shape airfoils and combined with Monte Carlo simulations for concave-shape airfoils. This approach not only has implications for aerodynamic applications, but also opens up possibilities for further applications in Boson or Fermi gases.
Article
Computer Science, Information Systems
Jin Zhao, Zubair Ahmad, Zahra Almaspoor, M. El-Morshedy, Ahmed Z. Afify
Summary: The COVID-19 outbreak began in Wuhan, China, and spread globally, resulting in millions of affected individuals. Urgent evaluation and comparison of disease dynamics is necessary to improve quarantine measures. This article compares pandemic dynamics between Iran and Pakistan to provide a framework for arranging appropriate quarantine activities.
CMC-COMPUTERS MATERIALS & CONTINUA
(2021)
Article
Physics, Multidisciplinary
K. L. Zhang, Z. Song
Summary: The study reveals that applying a nonlocal non-Hermitian perturbation to an Ising chain merges the topological Kramer-like degeneracy in the ferromagnetic phase, with distinct dynamic responses for different quantum phases. The phase diagram at zero temperature is completely preserved at finite temperatures.
PHYSICAL REVIEW LETTERS
(2021)
Article
Engineering, Biomedical
Albert Saporta, Ane Etxebeste, Theo Kaprelian, Jean Michel Letang, David Sarrut
Summary: In this study, a method to model families of particle distributions exiting a phantom in single photon emission computed tomography imaging devices using a condGAN is proposed. The condGAN is trained on a low statistics dataset and can generate particles with specific energy and position, leading to improved computational efficiency.
PHYSICS IN MEDICINE AND BIOLOGY
(2022)
Article
Optics
Ruoyu Chen, Shanbao Tong, Peng Miao
Summary: This study proposes a deep-learning-based strategy for high spatiotemporal resolution three-dimensional (3D) reconstruction from a single transilluminated laser speckle contrast image, providing more structural and functional details without multifocus two-dimensional (2D) imaging or 3D optical imaging with point/line scanning. The method utilizes convolution of vessel masks with depth-dependent point spread functions (PSF) to generate a large training dataset, and employs UNet and ResNet for deblurring and depth estimation. The blood flow in the reconstructed 3D vessels is estimated by a depth-dependent contrast model. The proposed method achieves high-fidelity structural reconstruction with a depth-independent estimation of blood flow, and is suitable for real-time monitoring of thick tissue and the diagnosis of vascular diseases.
Article
Chemistry, Multidisciplinary
Ziwan Xu, Taokun Luo, Jianming Mao, Caroline McCleary, Eric Yuan, Wenbin Lin
Summary: This study reported a metal-based nanoscale metal-organic framework (nMOF) built from thorium and photosensitizing ligands for enhanced radiation damage to tumors. Monte Carlo simulations showed that the thorium lattice outperformed other lattices in radiation dose enhancement. Experimental results demonstrated that the nMOF generated more reactive oxygen species and induced higher cytotoxicity to cancer cells under X-ray or gamma-ray radiation. In mouse models, the nMOF significantly suppressed tumor growth under low-dose X-ray irradiation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Shiyan Wang, Anirudh Venkatesh, Doraiswami Ramkrishna, Vivek Narsimhan
Summary: A Brownian bridge is a continuous random walk guided by an effective drift to control the endpoint of a stochastic process. While widely applicable in chemical science, the main limitation is the difficulty in determining the effective drift and solving the complex Backward Fokker-Planck equation.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Medicine, Research & Experimental
Sarah Kim, Gezim Lahu, Majid Vakilynejad, Theodoros G. Soldatos, David B. Jackson, Lawrence J. Lesko, Mirjam N. Trame
Summary: This study investigates the mechanistic differences between anti-CTLA-4 and anti-PD-1 drugs in causing colitis toxicity. The results show that the anti-CTLA-4 drug is significantly associated with a higher rate of colitis compared to anti-PD-1 drugs. The study suggests that the higher severity of colitis with the anti-CTLA-4 drug may be due to a greater magnitude of T-cell activation.
CTS-CLINICAL AND TRANSLATIONAL SCIENCE
(2022)
Article
Medicine, Research & Experimental
Sarah Kim, Gezim Lahu, Majid Vakilynejad, Theodoros G. Soldatos, David B. Jackson, Lawrence J. Lesko, Mirjam N. Trame
Summary: In this proof-of-concept study, researchers investigated the molecular mechanisms underlying the cardiotoxicity caused by trastuzumab in combination with other drugs. They found that the combination of trastuzumab and doxorubicin may affect mitochondrial dysfunction in cardiomyocytes through different molecular pathways, leading to synergistic cardiotoxicity. However, the concomitant use of tamoxifen, paroxetine, and/or lapatinib may diminish trastuzumab-induced cardiotoxicity.
CTS-CLINICAL AND TRANSLATIONAL SCIENCE
(2022)
Article
Microbiology
Mohammad H. Alshaer, Nicole Maranchick, Chen Bai, Kelly L. Maguigan, Bethany Shoulders, Timothy W. Felton, Sumith K. Mathew, Mamoun T. Mardini, Charles A. Peloquin
Summary: This study aimed to evaluate the association of early and cumulative beta-lactam pharmacokinetic/pharmacodynamic (PK/PD) parameters with therapy outcomes in pneumonia. The study found that beta-lactam exposure had a significant impact on pneumonia outcomes, and therefore should be optimized early and maintained throughout therapy.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
(2022)
Article
Microbiology
Walter Yamada, Sarah Kim, Mohammed Almoslem, Soyoung Kim, Jenny Myrick, Jocelyn Nole, Brandon Duncanson, Arnold Louie, Charles A. Peloquin, Stephan Schmidt, George L. Drusano, Michael Neely
Summary: The study utilized a model-informed strategy to test the efficacy of drug combinations against nonreplicating persister (NRP) phenotype of Mycobacterium tuberculosis. The results showed that the two-drug combination of pretomanid and moxifloxacin effectively eradicated Mtb, while the addition of bedaquiline as a third drug significantly shortened the time to total bacterial suppression.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
(2022)
Article
Infectious Diseases
Mohammad H. Alshaer, Nicole Maranchick, Kaitlin M. Alexander, Kayihura Manigaba, Bethany R. Shoulders, Timothy W. Felton, Sumith K. Mathew, Charles A. Peloquin
Summary: The aim of this study was to evaluate the association between early and cumulative β-lactam pharmacokinetic/pharmacodynamic (PK/PD) parameters and therapy outcomes in bloodstream infection (BSI). Multiple regression analysis revealed that achieving a higher percentage of free concentration above the four times the minimum inhibitory concentration (fT/4 xMIC ) at both 0-24 hours and 0-7 days significantly predicted negative blood culture results on day 7.
INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS
(2023)
Editorial Material
Pharmacology & Pharmacy
Jackson Burton, Bilal Abuasal, Sagar Bachhav, Jamie Connarn, Josh Cosman, Neeraj Gupta, Jing Jing, Sarah Kim, Tao Long, Nadia Terranova, Karthik Venkatakrishnan, Jian Wang, Qi Liu
Summary: Significant opportunities are emerging for clinical pharmacology to improve drug development through the use of rapidly evolving innovations in biomedical research. Current and upcoming innovations in the field can be classified into three major categories: new therapeutic modalities, expanding data types, and new analytical tools. The Pharmacometrics and Pharmacokinetics (PMK) community within the American Society for Clinical Pharmacology and Therapeutics (ASCPT) aims to facilitate collaboration, communication, and scientific advancement in these areas, addressing both the opportunities and challenges they present. This perspective seeks to encourage scientific collaboration across a wide range of ASCPT networks and communities, focusing on opportunities and challenges in the field of clinical pharmacology and beyond.
CLINICAL PHARMACOLOGY & THERAPEUTICS
(2023)
Article
Cardiac & Cardiovascular Systems
Jason Brandon Katz, Purav Shah, Cesar A. Trillo, Mohammad H. Alshaer, Charles Peloquin, Jorge Lascano
Summary: Cystic fibrosis patients with pulmonary exacerbations who received therapeutic drug monitoring of beta-lactams experienced decreased exacerbations, longer intervals to exacerbation, and a lower decline in lung function (FEV1% predicted).
RESPIRATORY MEDICINE
(2023)
Review
Pharmacology & Pharmacy
David B. Jackson, Rebecca Racz, Sarah Kim, Stephan Brock, Keith Burkhart
Summary: In the pharmaceutical industry, the challenge lies in leveraging data for improved research and development efficiency and the development of new drugs. This article reviews the counterintuitive innovation crisis and suggests that traditional preclinical research is hindering the success of drug candidates. By adopting a Human Data-driven Discovery (HD3) paradigm, which integrates existing data and technology assets strategically, innovators can overcome these issues and enhance drug discovery and research. The power of HD3 is demonstrated through proof-of-concept applications in drug safety analysis, drug repositioning, combination therapy design, and the global response to the COVID-19 pandemic.
Article
Immunology
Alex Ashkin, Afe Alexis, Megan Ninneman, Rene Rico Tresgallo, David Ashkin, Charles A. Peloquin
Summary: This study demonstrates that concurrent treatment of chronic hepatitis C virus (HCV) and tuberculosis (TB) is feasible and effective. By using therapeutic drug monitoring to adjust dosing, stable liver enzyme levels were achieved, leading to successful treatment outcomes. These findings suggest that concomitant use of LDV/SOF and rifabutin is possible in patients with HCV/TB coinfection.
OPEN FORUM INFECTIOUS DISEASES
(2023)
Article
Pharmacology & Pharmacy
Juan Francisco Morales, Rhoda Muse, Jagdeep T. Podichetty, Jackson Burton, Sarah David, Patrick Lang, Stephan Schmidt, Klaus Romero, Inish O'Doherty, Frank Martin, Martha Campbell-Thompson, Michael J. Haller, Mark A. Atkinson, Sarah Kim
Summary: This study developed a quantitative disease progression model for type 1 diabetes using individual-level data. The model successfully quantified how patient features measured at baseline alter the timing of type 1 diabetes diagnosis with reasonable accuracy and precision. This model provides a framework to predict and simulate the time to type 1 diabetes diagnosis in individuals at risk of developing the disease.
CPT-PHARMACOMETRICS & SYSTEMS PHARMACOLOGY
(2023)
Article
Pharmacology & Pharmacy
Stephan Schmidt, Valvanera Vozmediano, Rodrigo Cristofoletti, Sarah Kim, Zhoumeng Lin, Natalia de Moraes, Francine Azeredo, Brian Cicali, Hans Leuenberger, Joshua D. Brown, Jin Y. Jin, Cynthia J. Musante, Stacey Tannenbaum, Yaning Wang
CPT-PHARMACOMETRICS & SYSTEMS PHARMACOLOGY
(2023)
Article
Infectious Diseases
Yutong Jin, David Benkeser, Maia Kipiani, Nicole F. Maranchick, Lali Mikiashvili, Ketevan Barbakadze, Zaza Avaliani, Wael A. Alghamdi, Mohammad H. Alshaer, Charles A. Peloquin, Henry M. Blumberg, Russell R. Kempker
Summary: This study investigated the potential prolongation of the QT interval caused by newer anti-tuberculosis drugs. The findings suggest that while these drugs may cause a modest increase in QTc interval, the impact on clinical outcomes is minimal.
INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS
(2023)
Article
Pharmacology & Pharmacy
Niklas Koehler, Hande Karakoese, Hans-Peter Grobbel, Doris Hillemann, Soenke Andres, Christina Koenig, Barbara Kalsdorf, Thomas Theo Brehm, Laura Boettcher, Inna Friesen, Harald Hoffmann, Drazen Strelec, Dagmar Schaub, Charles A. Peloquin, Stefan Schmiedel, Laurent A. Decosterd, Eva Choong, Sebastian G. Wicha, Rob E. Aarnoutse, Christoph Lange, Patricia M. Carballo
Summary: This study developed a multiplex assay for therapeutic drug monitoring (TDM) of drug-resistant tuberculosis patients. The assay demonstrated sufficient sensitivity and accuracy to support clinical decision making and was successfully applied in two patients.
Article
Pharmacology & Pharmacy
Mohammed Almoslem, Sanket D. Shah, Valvanera Vozmediano, Serge Guzy, Sarah Kim, Mark L. Hudak, Stephan Schmidt
Summary: This study established a disease-drug-trial model to characterize and predict the effect of single and combination drug therapy with ibuprofen and/or APAP on closing PDA in children at less than 29 weeks of gestation. The results showed a synergistic effect of ibuprofen and APAP, with better treatment outcomes in younger preterm neonates. A 5-day oral dosing regimen achieved at least 90% PDA closure in all evaluated preterm neonates within 1 month of life.
JOURNAL OF CLINICAL PHARMACOLOGY
(2023)
Article
Clinical Neurology
Rebecca J. Willcocks, Alison M. Barnard, Michael J. Daniels, Sean C. Forbes, William T. Triplett, John F. Brandsema, Erika L. Finanger, William D. Rooney, Sarah Kim, Dah-Jyuu Wang, Donovan J. Lott, Claudia R. Senesac, Glenn A. Walter, H. Lee Sweeney, Krista Vandenborne
Summary: MR measures of muscle quality are highly sensitive to disease progression and predictive of meaningful functional milestones in DMD. In this study, using a large natural history dataset, the reproducibility, responsiveness to disease progression, and minimum clinically important difference of multiple MR biomarkers at different disease stages in DMD were evaluated. The results show that MR measures are reliable and highly responsive to disease progression.
ANNALS OF CLINICAL AND TRANSLATIONAL NEUROLOGY
(2023)