Article
Thermodynamics
Francisco E. Berger Bioucas, Michael H. Rausch, Thomas M. Koller, Andreas P. Froeba
Summary: This study presents a new version of the guarded parallel-plate instrument (GPPI) for the absolute determination of thermal conductivity. By improving the guard system and integrating flow circulation systems, the accuracy and reliability of the measurements are enhanced while reducing the measurement time. The results show good agreement with reference data and demonstrate the applicability of the instrument for determining the effective thermal conductivity of heterogeneous systems.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
History & Philosophy Of Science
Mariela Aguilera
Summary: This paper discusses the inferential relations between cartographic and linguistic representations, proposing the use of heterogeneous inference with ordinary maps and sentences to bridge the gap between cartographic and linguistic thought.
Article
Thermodynamics
Hassan Waqas, Sami Ullah Khan, M. Ijaz Khan, Faris Alzahrani, Sumaira Qayyum
Summary: The study focuses on the potential applications of nano-materials in thermal engineering systems and industrial processes. Numerical simulations and graphs are used to illustrate the effects of microorganisms in nanofluid on velocity, temperature, and concentration, with differences observed under different reaction parameters.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2021)
Review
Chemistry, Multidisciplinary
Ana Sousa-Castillo, Andrea Marino-Lopez, Begona Puertolas, Miguel A. Correa-Duarte
Summary: Bioorthogonal chemistry has provided a powerful tool for performing biocompatible chemospecific reactions in living systems, particularly in the areas of genetic encoding systems, bioimaging, and cancer therapy. This Minireview focuses on recent advances in the use of heterogeneous catalysts for bioorthogonal reactions, discussing the synthetic strategies of Pd-, Au-, and Cu-based materials, their applications in activating caged fluorophores and prodrugs, and the potential of using external stimuli for targeted drug release in diseased tissues. The review also highlights future directions and challenges in this emerging field.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Engineering, Electrical & Electronic
Olga Jaksic, Zoran Jaksic, Koushik Guha, Ivana Jokic, Milos Frantlovic
Summary: Random sequences and maps play a crucial role in cryptography and information technology, requiring reference to natural phenomena for true randomness. This study explores the application of stochastic physico-chemical dynamics to generate truly random sequences and bitmaps, presenting novel AD-simulation based algorithms for random number generation. Results show potential for digital data encryption, communication, and hardware implementation of a full random number generator.
MICROSYSTEM TECHNOLOGIES-MICRO-AND NANOSYSTEMS-INFORMATION STORAGE AND PROCESSING SYSTEMS
(2021)
Review
Chemistry, Multidisciplinary
Man-Bo Li, Jan-E Backvall
Summary: Palladium-catalyzed oxidations involving cascade processes have challenges in achieving high palladium efficiency and selectivity, but using heterogeneous palladium catalysts immobilized on amino-functionalized support materials has shown promising results in addressing these issues. The catalysts exhibit high activity, selectivity, and efficient recycling ability, and have been applied in various oxidative cascade reactions to access important compounds for medicinal chemistry and functional materials.
ACCOUNTS OF CHEMICAL RESEARCH
(2021)
Article
Chemistry, Physical
Viktoriya Poterya, Andriy Pysanenko, Eva Pluharova, Ondrej Votava, Michal Farnik
Summary: Heterogeneous chemistry on atmospheric particles plays a significant role in the Earth's atmosphere. In this study, the reactivity of Cl and CCl3 radicals with methane on argon clusters was investigated using the pickup method. By analyzing mass spectra, various products of the radical reactions and reaction pathways were identified.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Thermodynamics
Muhammad Sami Rashad, Umair Manzoor, Shan Ali Khan, Haihu Liu, Taseer Muhammad
Summary: Nanofluid flow has gained attention for its potential in various industries. Nanofluids have superior heat transfer capability compared to conventional fluids due to the presence of nanoparticles, which enhance thermal conductivity and improve heat dissipation and efficiency. This study numerically investigates the impact of homogeneity and heterogeneity on mixed convection flow of incompressible viscous nanofluids through a vertically permeable cylinder, considering thermal radiation and heat source/sink phenomena. The results show that the velocity field increases with higher nanoparticle volume fraction, while it decreases with increasing magnetic field and increases with increasing thermal radiation parameter.
CASE STUDIES IN THERMAL ENGINEERING
(2023)
Article
Engineering, Environmental
Dmitry Yu Murzin
Summary: A theoretical framework has been developed to analyze heterogeneous catalytic reactions on metal clusters, taking into account the sensitivity to cluster shape. The study compared the turnover frequency for catalytic reactions on different shaped clusters and provided insights into the differences in reaction mechanisms.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Mathematics, Applied
Yoshitaka Saiki, Hiroki Takahasi, James A. Yorke
Summary: Chaotic dynamics can exhibit instability in different directions in different regions, with different numbers of unstable dimensions near each periodic point. While it is believed that physical systems are often hetero-chaotic, few explicit examples have been proven. The study presents two simple and computationally tractable dynamical systems as examples, highlighting the complexity that can arise even in simple systems.
Article
Engineering, Environmental
Shaker Haji, Mohamed R. Sabea, Turki Aljawder, Mohammed H. Al-Aradi, Waseem M. Al-Khateeb, Elamin Elkanzi, Shakeel Ahmed
Summary: One of the key challenges in catalysis is the loss of catalytic activity, which must be considered when analyzing or designing reactive systems. This study successfully modeled the observed reaction rates in systems with deactivating catalysts, using a combination of Langmuir-Hinshelwood kinetics and decaying rate constants to describe the concentration-time trajectories in various reactions.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Thermodynamics
Hadi Bordbar, Felipe R. Coelho, Guilherme C. Fraga, Francis H. R. Franca, Simo Hostikka
Summary: The development of a new WSGG model considering the total pressure effect of gas mixture was based on a previous formulation by Bord-bar et al. High-resolution absorption spectra were used for model validation, showing good agreement with line-by-line solutions for spectral thermal radiation under various conditions. This new model efficiently solves the radiation problems in combustion systems under different pressures and gas compositions.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Biochemistry & Molecular Biology
Bruno Vinicius Manzolli Rodrigues, Roberta Teixeira Polez, Omar A. El Seoud, Elisabete Frollini
Summary: The dependence of DS on the (RCO)2O/AGU molar ratio was investigated and found to follow a second-order polynomial correlation. In heterogeneous acylation reactions, acid anhydrides and butyryl chloride were employed as acylating agents, with iodine as a catalyst, and DMF, pyridine, and triethylamine as solvents and catalysts. The values of DS in acylation using acetic anhydride plus iodine were found to correlate with reaction time through a second-order polynomial equation. Pyridine, due to its polar solvent and nucleophilic catalyst properties, was identified as the most effective base catalyst regardless of the acylating agent employed.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Physical
Rachel L. Pindar, Christopher Batchelor-McAuley, Minjun Yang, Richard G. Compton
Summary: This study explores the electrochemical reactions in seawater, focusing on the coupled chemistry with the components of seawater, especially the role of the carbonate-bicarbonate buffer system in proton-coupled electron transfer reactions. The presence or absence of various buffer systems, such as phosphate, formate, or bicarbonate, influences the voltammetric response of reversible hydrogen oxidation reactions. The research findings are supported by numerical simulations based on a simple Nernstian model, showing excellent agreement with experimental results.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Review
Chemistry, Multidisciplinary
Lujiao Mao, Jinjie Qian
Summary: This review primarily focuses on elucidating the factors that influence the interfacial growth of MOF-on-MOF composite materials and their applications in various fields. The review discusses the challenges and complexities of the rational design and synthesis of these materials, and provides a forward-looking perspective on future research directions.
Article
Biochemical Research Methods
Zhiling Zheng, Ha L. Nguyen, Nikita Hanikel, Kelvin Kam-Yun Li, Zihui Zhou, Tianqiong Ma, Omar M. Yaghi
Summary: This article presents a detailed protocol for the green, water-based preparation of MOF-303 on both gram and kilogram scales, showing high yield and quality. It also demonstrates that the synthetic procedure can produce MOF within a short period of time.
Review
Nanoscience & Nanotechnology
Stefano Canossa, Zhe Ji, Cornelius Gropp, Zichao Rong, Evelyn Ploetz, Stefan Wuttke, Omar M. Yaghi
Summary: This article discusses one of the most advanced and challenging topics in modern reticular chemistry – structure multivariation. It defines the fundamentals of multivariation by considering sequences of chemical species as its true essence and proposes new concepts for their analysis and application.
NATURE REVIEWS MATERIALS
(2023)
Article
Engineering, Electrical & Electronic
Khalid Youssef, Greg Schuette, Yubin Cai, Daisong Zhang, Yikun Huang, Yahya Rahmat-Samii, Louis-S. Bouchard
Summary: Unlike areas such as computer vision and speech recognition, deep learning lacks a general approach suitable for radiofrequency systems. Existing approaches face problems in robustness, consistency, efficiency, repeatability, and scalability. In this article, a new deep learning approach based on multistage training is proposed and it shows significant improvement in radiofrequency sensing signal classification.
IEEE ANTENNAS AND PROPAGATION MAGAZINE
(2023)
Article
Engineering, Biomedical
Fatemeh S. Majedi, Mohammad Mahdi Hasani-Sadrabadi, Timothy J. Thauland, Sundeep G. Keswani, Song Li, Louis-S. Bouchard, Manish J. Butte
Summary: A biodegradable macroporous scaffold implanted peritumourally releases inhibitors to suppress T-reg cells and attract and stimulate effector T cells, resulting in enhanced immune response, clearance of tumour cells, and prevention of recurrence. The scaffold can also deliver tumour-antigen-specific T cells into the tumour. This strategy offers a potential alternative to systemic therapies with reduced toxicities.
NATURE BIOMEDICAL ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Wentao Xu, Nikita Hanikel, Kirill A. Lomachenko, Cesare Atzori, Alicia Lund, Hao Lyu, Zihui Zhou, C. Austen Angell, Omar M. Yaghi
Summary: We developed a synthetic strategy to link Ti-oxo clusters into MOF glasses using carboxylate linkage, resulting in high porosity. A new series of MOF glasses were fabricated by evaporating a solution containing Ti-oxo clusters, linkers, and m-cresol. The formation of carboxylate linkages was confirmed by FT-IR spectroscopy, and the structural integrity of Ti-oxo clusters was demonstrated by XANES and O-17 MAS NMR. After ligand exchange and activation, the Ti-Fum MOF glass exhibited a significantly higher BET surface area compared to previously reported phenolate-linked MOF glasses.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Zhiling Zheng, Zichao Rong, Oscar Iu-Fan Chen, Omar M. M. Yaghi
Summary: We have synthesized a novel hydroxamate-based yttrium MOF, named MOF-419, with rod-shaped SBUs. The use of benzene-1,4-hydroxamate (BDH2-) linkers and formic acid as a modulator was crucial for the formation of rod-shaped SBUs. MOF-419 exhibits permanent porosity, with a BET surface area of 1130 m(2)/g. Its hydrophobic pore environment and gas sorption properties were confirmed through various experiments. These findings will contribute to the study and understanding of rod MOFs with chelating linkages.
ISRAEL JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Arek Melkonian, Tal Gilboa, David R. Walt
Summary: Recent developments in single-molecule enzymology have revealed subpopulations in enzyme ensembles. Tissue-nonspecific alkaline phosphatase (TNSALP), a model enzyme for these studies, has disulfide bonds critical for its dimerization. Mutations in these bonds have been found in patients with hypophosphatasia, a rare disease affecting bone and tooth mineralization. However, this study shows that these mutations do not significantly affect the enzymatic function of TNSALP, suggesting that the symptoms of hypophosphatasia may not be primarily due to impaired enzyme function, but rather reduced enzyme expression and trafficking.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Multidisciplinary
Adrian Fuchs, Fabian Knechtel, Haoze Wang, Zhe Ji, Stefan Wuttke, Omar M. Yaghi, Evelyn Ploetz
Summary: Metal-organic frameworks (MOFs) are porous materials that can easily absorb and release water, making them ideal for atmospheric water harvesting applications. In this study, a new method using Raman spectroscopy was used to investigate the behavior of MOF-801 at the single-crystal level, providing valuable insights into its water adsorption capabilities. The results revealed significant differences in water uptake between the single-crystal and bulk material.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Nikita Hanikel, Daria Kurandina, Saumil Chheda, Zhiling Zheng, Zichao Rong, S. Ephraim Neumann, Joachim Sauer, J. Ilja Siepmann, Laura Gagliardi, Omar M. Yaghi
Summary: A linker extension strategy is proposed to generate metal-organic frameworks (MOFs) with enhanced moisture-capturing properties. The design approach results in MOF-LA2-1 {[Al(OH)(PZVDC)], featuring a 50% increase in water capacity compared to MOF-303, the state-of-the-art water-harvesting material. The strategy not only increases the pore volume of the MOF, but also retains its ability to capture and release water in arid environments, while reducing regeneration heat and temperature.
ACS CENTRAL SCIENCE
(2023)
Article
Environmental Sciences
K. Youssef, K. Shao, S. Moon, L. -s. Bouchard
Summary: We introduce an interpretable superposable neural network (SNN) optimization method to assess landslide susceptibility, which achieves high accuracy and low model complexity. By training models on landslide inventories from three easternmost Himalaya regions, we confirm the superior performance of our SNN model compared to physically-based and statistical models. We identify slope and precipitation product, as well as hillslope aspect, as important contributors to landslide susceptibility.
COMMUNICATIONS EARTH & ENVIRONMENT
(2023)
Editorial Material
Chemistry, Physical
Laura Gagliardi, Omar M. Yaghi
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
S. Ephraim Neumann, Kallie Neumann, Zhiling Zheng, Nikita Hanikel, Jonathan Tsao, Omar M. Yaghi
Summary: Educational content is continuously adapted to improve the learning experience of students. Student motivation and accessibility are important factors in teaching science. By engaging students with experiments related to global water scarcity, they discover a potential solution using metal-organic frameworks capable of harvesting water from the atmosphere, regardless of humidity levels. The simplified experiments and equipment do not compromise the performance of the materials, as confirmed through characterization tests. Post-lab assessment shows that the cutting-edge nature of the materials sparks student motivation and encourages broader discussions on ongoing scientific research.
JOURNAL OF CHEMICAL EDUCATION
(2023)
Article
Chemistry, Multidisciplinary
Zhiling Zheng, Oufan Zhang, Christian Borgs, Jennifer T. Chayes, Omar M. Yaghi
Summary: We use prompt engineering to guide ChatGPT in automating the text mining of metal-organic framework (MOF) synthesis conditions from scientific literature. This mitigates ChatGPT's tendency to hallucinate information and allows for the extraction of synthesis parameters and the creation of a machine-learning model for predicting experimental outcomes. The ChatGPT Chemistry Assistant, developed through this process, is expected to be highly useful in various chemistry subdisciplines.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Optics
Mohamad Niknam, Robert N. Schwartz, Louis-S. Bouchard
Summary: We study quantum algorithmics with single spins and address technological challenges such as precision fabrication, rapid decoherence, atomic-scale addressing, and readout. By investigating fully polarized mesoscopic spin ensembles (spin-coherent states), we overcome atomic-scale challenges. In the limit where the ensembles are small compared to their separation, they can be treated as qubits with an effective coupling strength scaling with the number of spins. High-fidelity one- and two-qubit gate operations can be implemented if the spins within each ensemble are decoupled.
Article
Chemistry, Multidisciplinary
Zhiling Zheng, Oufan Zhang, Ha L. Nguyen, Nakul Rampal, Ali H. Alawadhi, Zichao Rong, Teresa Head-Gordon, Christian Borgs, Jennifer T. Chayes, Omar M. Yaghi
Summary: By leveraging the power of ChatGPT and Bayesian optimization, we developed a multi-AI-driven system that supports various research activities in a chemistry laboratory. Through collaboration with AI assistants, human researchers achieved enhanced productivity and precise determination of optimal synthesis conditions. This work is a promising proof of concept for the AI-driven revolution in chemistry laboratories.
ACS CENTRAL SCIENCE
(2023)