Article
Chemistry, Physical
Leila Mingabudinova, Luca Giordano, Mickael D. Tessier, Zeger Hens, Pieter Schiettecatte
Summary: This study investigates the formation of zinc selenide from zinc chloride and trioctylphosphine selenide in oleylamine. It finds that the formation rate of ZnSe is independent of the presence of InP cores. The reaction products of the ZnSe formation reaction are identified using NMR and mass spectrometry.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Yimin Geng, Hao Lv, Shu Xu, Chong Geng
Summary: Vacancy-ordered Cs2ZrX6 (X = Cl, Br) double perovskite nanocrystals were synthesized through a microfluidic reactor, allowing tunable emission wavelengths by controlling the NC size and hybrid halogen ions. Reaction kinetics study revealed the influence of amine ligand and reaction temperature on the growth and optical performance of the Cs2ZrX6 NCs. The effects of flow rate, precursors, and ligand ratio on the morphology and optical property were also investigated. This study provides insights into the growth kinetics and continuous production of lead-free vacancy-ordered double perovskite NCs through a microfluidic reactor for optical applications.
Article
Chemistry, Multidisciplinary
Haiyang Li, Wenjing Zhang, Yangyang Bian, Tae Kyu Ahn, Huaibin Shen, Botao Ji
Summary: A new method using inorganic salt ZnF2 instead of hydrofluoric acid to synthesize InP/ZnSe/ZnS core/shell/shell quantum dots is proposed in this study. The resulting quantum dots show higher photoluminescence efficiency and thermal stability, and can achieve high brightness emission in large sizes.
Article
Chemistry, Inorganic & Nuclear
K. David Wegner, Ines Hauesler, Xenia Knigge, Vasile-Dan Hodoroaba, Franziska Emmerling, Peter Reiss, Ute Resch-Genger
Summary: In this study, two new families of ZnSe magic-sized clusters (MSCs) were synthesized using the thiol ligand 1-dodecanethiol in a simple one-pot heat-up approach. The sizes of the MSCs were controlled by the concentration of the thiol ligand and the reaction temperature.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Jiakuan Zhang, Chuyue Li, Jiongzhao Li, Xiaogang Peng
Summary: Size- and shape-controlled CdSe/ZnSe core/shell and CdSe/ZnSe/ZnS core/shell/shell nanocrystals with zinc-blende structure are synthesized. The ligand strain between the inorganic crystal surface and organic ligands plays a key role in ZnSe epitaxy. The lattice strain between the CdSe and ZnSe affects the photoluminescence of CdSe/ZnSe/ZnS core/shell/shell QDs.
CHEMISTRY OF MATERIALS
(2023)
Article
Materials Science, Ceramics
Nilanjana Shasmal, Andrea Simone Stucchi de Camargo, Ana Candida Martins Rodrigues
Summary: This study investigated the effect of heat treatment on the spectroscopic properties of borosilicate glasses doped with ZnSe quantum dots (QDs) and co-doped with Er3+/ZnSe. TEM analysis revealed the gradual growth of ZnSe QDs during heat treatment. The emission intensity of ZnSe-doped glasses initially increased due to the formation and development of ZnSe QDs, but gradually decreased as non-radiative loss between enlarged particles became dominant. The co-doped glasses showed enhanced emission up to 20 hours of heat treatment, indicating energy transfer from QDs to Er3+ ions.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Review
Chemistry, Physical
Yanjuan Huang, Chao Liu, Qiang Feng, Jiashu Sun
Summary: The field of nanomaterials has made significant contributions to biomedicine, and microfluidic technology has played a crucial role in the synthesis of these materials. This review provides an overview of the fundamental principles and applications of microfluidic technology in fabricating nanomaterials, highlighting the challenges and future directions in microfluidic synthesis.
NANOSCALE HORIZONS
(2023)
Review
Chemistry, Multidisciplinary
Yu Cheng, Si Da Ling, Yuhao Geng, Yundong Wang, Jianhong Xu
Summary: Microfluidic technology offers a controllable and efficient method for producing high-quality quantum dots, which can be used for bio-sensing and bio-imaging applications. It also serves as an effective platform to understand the synthetic mechanism and optimize reaction parameters for quantum dot production.
NANOSCALE ADVANCES
(2021)
Article
Chemistry, Physical
Emanuele Marino, Oleg A. Vasilyev, Bas B. Kluft, Milo J. B. Stroink, Svyatoslav Kondrat, Peter Schall
Summary: Nanocrystal assembly is crucial in developing next-generation optoelectronic devices. By utilizing critical Casimir attraction and electrostatic repulsion, the deposition process can be biased towards forming 2D layers or 3D islands, enabling control over the morphology of the deposited superstructure from crystalline to amorphous. This demonstrates the potential of critical Casimir interaction in directing the growth of future artificial solids based on nanocrystals.
NANOSCALE HORIZONS
(2021)
Article
Engineering, Environmental
Hyunbin Kim, Do Hyun Kim, Shin-Hyun Kim
Summary: Microreactors are crucial in nanoparticle synthesis, allowing for better control over reaction conditions and improving heat and mass transfer. However, traditional fabrication methods can be complex and expensive. The Bolt-nut microreactor offers a practical and cost-effective alternative, allowing for adjustable volume and easy cleaning, and achieving better size distribution and light output for quantum dots synthesis.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Fariba Mohebichamkhorami, Mehrdad Faizi, Matin Mahmoudifard, Arman Hajikarim-Hamedani, Seyedeh Sarvenaz Mohseni, Amirhossein Heidari, Yekta Ghane, Mona Khoramjouy, Maryam Khayati, Rasoul Ghasemi, Hakimeh Zali, Simzar Hosseinzadeh, Ebrahim Mostafavi
Summary: The combination of chitosan nanoparticles (CS NPs) and graphene quantum dots (GQDs) in ultrasmall NP form shows promising potential as theranostic agents for Alzheimer's disease. The CS/GQD NPs, synthesized through microfluidics, can be efficiently delivered to the brain and enter glioma cells in vitro. In vivo bioimaging confirms their localization in the brain and their noncytotoxicity. However, further research is needed to understand the mechanism behind their positive effects on memory recovery in AD rats.
Article
Chemistry, Physical
Iurii Alekseevich Babkin, Aniket Pradip Udepurkar, Hannes Van Avermaet, Rodrigo de Oliveira-Silva, Dimitrios Sakellariou, Zeger Hens, Guy van den Mooter, Simon Kuhn, Christian Clasen
Summary: Quantum dots (QDs) are semiconductor nanocrystals used in optoelectronic applications. Most modern QDs are based on toxic metals and do not comply with EU regulations. However, there are promising developments in safer QD alternatives based on elements from the III-V group. This study focuses on encapsulating InP-based QDs in polymer microbeads for improved photostability.
Article
Chemistry, Physical
Jannik Rebmann, Hans Werners, Florian Johst, Marcel Dohrmann, Yannic U. Staechelin, Christian Strelow, Alf Mews, Tobias Kipp
Summary: Cation exchange occurs during the synthesis of colloidal semiconductor heteronanoparticles, affecting their band gap and optoelectronic properties. The role of cation exchange during the growth of anisotropic dot-in-rod structures was studied. The dominant process in the initial stages of the shell-growth reaction was found to be cation exchange from ZnSe to CdSe.
CHEMISTRY OF MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Yang Sheng, Shuai Li, Yixin Sun, Rong Zhang, Xinyu Zhao, Mei Chee Tan
Summary: This study successfully increased the fluorescence intensity of CuInSe2 QDs and explored their heat-coupled photoacoustic signal for the first time; lower levels of Zn doping helped enhance fluorescence intensity, but excessive Zn caused a blue shift in emission peak. Cu-In-Zn-Se/ZnSe QDs coated with PMAO-g-PEG were prepared for dual-modal fluorescence and PA imaging applications.
Article
Chemistry, Inorganic & Nuclear
Tong Li, Cong Liu, Ruyi Li, Xiaohua Huang, Xiaofei Qi, Xiaohan Mi, Tianyu Bai, Shanghua Xing
Summary: High-quality tetragonal AgGaSe2 nanocrystals were successfully synthesized within 2 minutes through a facile colloidal method. The photoluminescence properties of the nanocrystals were optimized and the water-soluble AgGaSe2 nanocrystals showed potential for biological applications.
DALTON TRANSACTIONS
(2023)
Article
Engineering, Environmental
Camille Bilodeau, Andrei Kazakov, Sukrit Mukhopadhyay, Jillian Emerson, Tom Kalantar, Chris Muzny, Klavs Jensen
Summary: Viscosity is a crucial parameter in process engineering and various industries, such as coatings, lubricants, personal care, and pharmaceuticals. The lack of reliable methods for predicting mixture viscosities hampers process engineering and product design. This study developed a graph-based neural network architecture to predict the viscosity of binary liquid mixtures based on composition and temperature. A curated dataset was created using an automated curation pipeline and collected literature from NIST. The resulting model achieved high accuracy in viscosity prediction and a classifier was developed to assess prediction reliability.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Chantalle J. Krajewska, Alexander E. K. Kaplan, Matthias Kick, David B. Berkinsky, Hua Zhu, Tara Sverko, Troy Van Voorhis, Moungi G. Bawendi
Summary: Using different evaporation rates of the dispersion solvent, controlled assembly of CsPbBr3 nanoplatelets was achieved. Electron microscopy, X-ray scattering, and diffraction confirmed the superlattice structures in both the face-down and edge-up configurations. Polarization-resolved spectroscopy revealed significantly polarized emission in the edge-up superlattices compared to the face-down counterparts. Variable temperature X-ray diffraction revealed a uniaxial negative thermal expansion in ultrathin nanoplatelets, explaining the anomalous temperature dependence of the emission energy. Additional structural aspects were investigated by multilayer diffraction fitting, showing a decrease in superlattice order and an expansion of the organic sublattice and lead halide octahedral tilt with decreasing temperature.
Letter
Chemistry, Multidisciplinary
Weiwei Sun, Chantalle J. Krajewska, Alexander E. K. Kaplan, Tara Sverko, David B. Berkinsky, Matthias Ginterseder, Hendrik Utzat, Moungi G. Bawendi
Summary: Cesium lead halide perovskite nanocrystals (PNCs) have been identified as a potential material for next-generation single quantum emitters (QEs) in quantum optics and quantum information science. Using photon-correlation Fourier spectroscopy (PCFS), we investigated the optical coherence times of single PNCs as a function of temperature and found that 20 nm CsPbBr3 PNCs emit predominantly into a narrow zero-phonon line at temperatures between 4 and 13 K. Our results suggest that exciton dephasing in this temperature range is mainly caused by elastic scattering from phonon modes with characteristic frequencies of 1-3 meV, while inelastic scattering is minimal due to weak exciton-phonon coupling.
Article
Chemistry, Inorganic & Nuclear
Caique Diego de Abreu Lima, Roniel dos Santos Sousa, Antonio Werbeson Miranda, Joao Victor Barbosa Moura, Gardenia de Sousa Pinheiro, Bartolomeu Cruz Viana, Iara Souza Lima, Thiago Mielle Brito Ferreira Oliveira, Oswaldo Baffa, Jefferson Ferraz Damasceno Felix Araujo, Cleanio da Luz Lima
Summary: This study investigated the synthesis, characterization, and thermal stability of pure and Al ion-exchange titanate nanotubes (Na2Ti3O7 and NaxAlyTi3O7, respectively). The results revealed the obtainment of sodium titanate and aluminum titanate nanotubes with different average lengths and diameters. The presence of Al ions in the crystal lattice affected the energy exchange between the unpaired species and the lattice. The thermal stability of sodium titanate nanotubes was influenced by sodium ions, while the incorporation of Al3+ ions into the nanotube lamellae decreased the thermal stability of aluminum titanate nanotubes.
SOLID STATE SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Dylan J. Walsh, Weizhong Zou, Ludwig Schneider, Reid Mello, Michael E. Deagen, Joshua Mysona, Tzyy-Shyang Lin, Juan J. de Pablo, Klavs F. Jensen, Debra J. Audus, Bradley D. Olsen
Summary: This article presents the design of a general material data model that supports the application of polymer materials in nearly every aspect of modern life.
ACS CENTRAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Christian P. Haas, Maximilian Luebbesmeyer, Edward H. Jin, Matthew A. McDonald, Brent A. Koscher, Nicolas Guimond, Laura Di Rocco, Henning Kayser, Samuel Leweke, Sebastian Niedenfu, Rachel Nicholls, Emily Greeves, David M. Barber, Julius Hillenbrand, Giulio Volpin, Klavs F. Jensen
Summary: This study introduces an open-source Python project called MOCCA for the analysis of HPLC-DAD raw data, showcasing its broad applicability in data analysis. MOCCA features an automated peak deconvolution routine that can identify known signals and distinguish overlapped signals from unexpected impurities or side products. By releasing MOCCA as a Python package, the researchers aim to foster an open-source community project, advancing its scope and capabilities.
ACS CENTRAL SCIENCE
(2023)
Article
Medicine, General & Internal
Gabriela P. P. Tardelli, Tan Phan, Janette Strasburger, Oswaldo Baffa, Ronald Wakai
Summary: Fetal magnetocardiography (fMCG) is a valuable tool for prenatal monitoring, but the high cost of equipment limits its use in routine clinical practice. This study aimed to reduce environmental magnetic interference in fMCG signals by using a small ferrite shield. The results showed that the ferrite shield reduced interference and significantly improved signal-to-noise ratio and waveform resolution, especially in the axial direction. This is particularly beneficial for triaxial optically pumped magnetometers (OPMs).
JOURNAL OF CLINICAL MEDICINE
(2023)
Article
Engineering, Biomedical
Renan H. Matsuda, Victor H. Souza, Petrus N. Kirsten, Risto J. Ilmoniemi, Oswaldo Baffa
Summary: In this study, a Python markerless head tracker neuronavigation software called MarLe is introduced and released, which uses computer-vision techniques and low-cost cameras to estimate the head pose and track the patient's head and TMS coil based on individual brain images. MarLe achieves real-time tracking of the patient's head without the need for any markers, and the combination of face detection and a coregistration algorithm overcomes the concerns caused by marker displacement in nTMS. MarLe improves the reliability, simplifies the protocol and reduces the intervention time of brain techniques like nTMS.
PHYSICAL AND ENGINEERING SCIENCES IN MEDICINE
(2023)
Article
Materials Science, Multidisciplinary
Lais Pereira Buranello, Gabriel Gustavo de Albuquerque Biasotti, Andre Goncalves Prospero, Erick Guilherme Stoppa, Guilherme Augusto Soares, Oswaldo Baffa, Frank Wiekhorst, Jose Ricardo de Arruda Miranda
Summary: Micro and nanostructured magnetic materials (MNMMs) have significant potential for biomedical applications due to their magnetic properties and small size. However, techniques for detecting, locating, and imaging MNMMs within the body are necessary for better targeting efficiency. Alternating Current Biosusceptometry (ACB) is proposed as an alternative biomagnetic technique capable of detecting and quantitatively imaging MNMMs in different settings. By adding pick-up coils in an octagonal pattern, it was possible to generate quantitative tomographic images of the distribution of magnetic materials using ACB for the first time.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Chemistry, Physical
Kailai Lin, Dipti Jasrasaria, Jason J. Yoo, Moungi Bawendi, Hendrik Utzat, Eran Rabani
Summary: Single-molecule photoluminescence spectroscopy is used to study the exciton-phonon interactions in semiconductor nanocrystals. A detailed model is developed to explain the PL spectrum, taking into account excitonic effects, phonon dispersion relations, and exciton-phonon couplings. The model is validated with experimental measurements on CdSe/CdS nanocrystals, revealing the presence of a narrow zero-phonon line and acoustic phonon sidebands in the slightly asymmetric main peak at low temperatures. The dependence of the spectral line width on temperature is shown to be correlated with higher order exciton-phonon couplings.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Applied
Daniel J. Griffin, Connor W. Coley, Scott A. Frank, Joel M. Hawkins, Klavs F. Jensen
Summary: The goals of this Perspective are to inform the audience about synthetic drug substance process development, break down the task into subtasks, and highlight potential applications of machine learning and artificial intelligence. While computer-aided synthesis planning tools have been developed for retrosynthetic analysis, opportunities for aiding the process chemist or engineer in commercial drug substance process development remain largely untapped.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2023)
Article
Engineering, Biomedical
I. S. Lima, M. A. Silveira, J. Pavoni, J. E. Guidelli, E. C. S. Garrido, O. Baffa
Summary: Metallic nanoparticles, such as gold and silver nanoparticles, were inserted into a gel matrix to enhance dosimeter sensitivity, with gold nanoparticles showing a significant increase in sensitivity compared to silver nanoparticles. Optical absorption increased with the presence of gold nanoparticles, leading to a dose enhancement factor of 1.37 and improved visualization of dose distribution through optical tomography and 3D reconstruction maps.
PHYSICS IN MEDICINE AND BIOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Aniket P. Udepurkar, Kakasaheb Y. Nandiwale, Klavs F. Jensen, Simon Kuhn
Summary: A new ultrasonic microreactor has been developed to overcome the limitations of reactor clogging and yield reduction caused by the presence of solids in flow photochemical reactions. The performance of the ultrasonic photochemical microreactor is evaluated based on the residence time distribution of liquid and solid, as well as the absorbed photon flux in the reactor. The solid-handling capability of the microreactor is demonstrated by a silyl radical-mediated metallaphotoredox cross-electrophile coupling using a solid base as a reagent.
REACTION CHEMISTRY & ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Leonardo V. S. Franca, Elisabeth Muller, Eduardo G. G. Yukihara, Oswaldo Baffa
Summary: This article reports the luminescent and dosimetric properties of a radiation sensitive phosphor based on CaB6O10:Tb3+,Ag+ compounds. The phosphor exhibited strong UV-OSL under blue stimulation, with a minimum detectable dose of 2.3 mu Gy. It also showed dose linearity in the whole dose range analyzed and no signs of saturation. The study also sheds light on how lanthanide and silver ions influence the charge trapping and radiative processes in borate compounds.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Christian P. Haas, Maximilian Luebbesmeyer, Edward H. Jin, Matthew A. McDonald, Brent A. Koscher, Nicolas Guimond, Laura Di Rocco, Henning Kayser, Samuel Leweke, Sebastian Niedenfuehr, Rachel Nicholls, Emily Greeves, David M. Barber, Julius Hillenbrand, Giulio Volpin, Klavs F. Jensen
Summary: This paper presents an open-source Python project called MOCCA for the analysis of HPLC-DAD raw data. MOCCA provides a comprehensive set of data analysis features, including an automated peak deconvolution routine. The authors highlight the broad applicability of MOCCA in various studies and envision its further development as an open-source community project.
ACS CENTRAL SCIENCE
(2023)
