Article
Engineering, Mechanical
Shaoyu Zhao, Yingyan Zhang, Yihe Zhang, Jie Yang, Sritawat Kitipornchai
Summary: Graphene origami (GOri)-enabled metallic metamaterials with highly tunable negative Poisson's ratio (NPR) and improved mechanical properties demonstrate a significant potential for auxetic behavior at room temperature, with the NPR of the nanocomposite being further enhanced under pressure and temperature.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2021)
Article
Chemistry, Physical
Efstratios M. Kritikos, Aditya Lele, Adri C. T. van Duin, Andrea Giusti
Summary: Reactive molecular dynamics and density functional theory are used to study the effects of external electrostatic fields on hydrocarbon reaction kinetics. The results show that the MD method is suitable for modeling electrodynamics. External electric fields can cause catalysis or inhibition of oxidation reactions, but have no effect on pyrolysis reactions. The reaction kinetics is also affected by applied external forces, and electric fields can affect the alignment of polar species. Under strong electric fields, fuel, oxidizer, and product molecules experience acceleration and reduced vibrational energy. This study improves the current methods used in MD and develops novel methodologies for modeling reacting flows under electrostatic fields.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Amrutdyuti Swamy, Daniel Dolce, Pabitra Choudhury
Summary: In this study, the impact of solid-melt interfacial energy anisotropy on the microstructure of components was investigated. It was found that as the Cu concentration in the melt increases, the dendrite growth orientation shifts, and a displaced atomic density profile between Al and Cu atoms near the interface was observed. It suggests that the weakened anisotropy between (100) and (110) interfacial energies leads to the transition in dendrite growth orientation.
MATERIALS TODAY COMMUNICATIONS
(2023)
Review
Chemistry, Multidisciplinary
Yang Wang, Yunqi Liu
Summary: Organic electrochemical transistors (OECTs) have the unique ability to simultaneously tune the ionic and electronic transporting properties, making them promising technology for low-voltage and high-sensitivity bioelectronics. This review focuses on the design and synthesis of OECT polymers, discussing the general design principles for OECT polymers and the correlations of structure and property. The perspective on future trends in material design for high-performance and high-stability OECT polymers is also proposed.
TRENDS IN CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Laszlo Berencei, William Barford, Stephen R. Clark
Summary: We present a hybrid quantum-classical simulation of charge-polaron transport in conjugated polymers. The charge and monomers are modeled using the time-dependent Schrodinger equation and the Ehrenfest equations of motion, respectively. The system is thermalized with Brownian fluctuations modeled by the Langevin equation. The study investigates different types of dynamics for low temperatures, including activationless polaron diffusion and hopping between diabatic states.
Article
Polymer Science
Tengfei Qu, Yukun Li, Linling Li, Chen Zhang, Xiaoliang Wang, Wei Chen, Gi Xue, Evgeny Zhuravlev, Shaochuan Luo, Dongshan Zhou
Summary: The conformational transition of molecular ordering in PBTTT is strongly influenced by the isothermal temperature. At 333 K, the twist motion of thienothiophene and thiophene rings results in a decrease in packed side chains and the growth of the thermotropic mesophase. At 353 and 363 K, the competition between main-chain crystallization and thermotropic mesophase formation affects the molecular ordering. Crystallization at 413 K leads to increased mobility and more perfect crystallization of the main chain without thermotropic mesophase formation.
Article
Biochemistry & Molecular Biology
Markus Koch, Marina Saphiannikova, Olga Guskova
Summary: Our study investigates the structure and non-covalent interactions of supramolecular aggregates formed by three-arm azobenzene stars with a benzene-1,3,5-tricarboxamide core in water using fully atomistic molecular dynamics simulations. We analyze the binding energies, non-covalent interactions, and structural properties of columnar stacks, confirming that pi-pi interactions and hydrogen bonds play essential roles in maintaining the stability and arrangement of the aggregates.
Review
Materials Science, Multidisciplinary
Wei Lai
Summary: Lithium garnet oxides are promising candidates as electrolytes for all-solid-state batteries due to their appreciable lithium ionic conductivity. The disorder in their structures significantly influences lithium transport properties. Atomistic simulation studies and experimental investigations provide atomic-scale visualization and insight into lithium transport phenomena in lithium garnet oxides.
ANNUAL REVIEW OF MATERIALS RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Petra Bacova, Wei Li, Alireza F. Behbahani, Craig Burkhart, Patrycja Polinska, Manolis Doxastakis, Vagelis Harmandaris
Summary: This study investigated the conformational and dynamical features of unentangled and mildly entangled cis-1,4-polybutadiene melts near an amorphous silica surface through atomistic simulations. The results reveal dynamical heterogeneities on the silica surface and suggest that configurational entropy plays an important role in the dynamic response of polymers confined between silica slabs.
Article
Chemistry, Physical
Lukasz Baran, Konrad Dyk, Daniel Michael Kaminski, Marek Stankevic, Wojciech Rzysko, Dariusz Tarasewicz, Tomasz Zientarski
Summary: In this study, the formation of self-assembled structures of tetraphenyl derivatives with different substitutions was investigated using classical molecular dynamics and quantum calculations. The results indicate that certain functional groups have a significant impact on the self-assembly process, and these molecules can form various ordered phases.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Renai Chen, Mohammadhasan Dinpajooh, Abraham Nitzan
Summary: This study presents an atomistic simulation methodology for molecular heat conduction that incorporates quantum statistics and a modified Langevin equation to consider quantum effects. The results show that this quasi-classical method is suitable for the full temperature range and can simulate the effects of anharmonicity and high-frequency modes on heat conduction.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Linyu Chen, Fangfang Fan, Meiyuan Yang, Linquan Wang, Yushuo Bai, Shuai Qiu, Changjiang Lyu, Jun Huang
Summary: Poly(ethylene terephthalate) (PET) is widely used but it poses a long-term environmental burden. The discovery of PETase from Ideonella sakaiensis 201-F6 (IsPETase) provides potential for degradable PET industrialization. By studying the enzyme-substrate complexes, this work reveals the self-regulation mechanism of IsPETase and identifies key residues for substrate binding. This knowledge is significant for understanding enzyme function and designing high-performance degradation enzymes for industrial applications.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
V Filinov, P. Levashov, A. Larkin
Summary: A new path integral representation of the density matrix in the canonical ensemble at finite temperatures has been developed to address the interference effects of the Coulomb and exchange interactions of electrons, reducing the 'fermionic sign problem' in Monte Carlo simulations. The results obtained for pair distribution functions in plasma and uniform electron gas demonstrate short-range quantum ordering of electrons associated with exchange-correlation excitons in the literature. Comparisons with available literature also show that the short-range ordering does not significantly contribute to integral thermodynamic characteristics.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2022)
Article
Chemistry, Physical
B. P. Prajwal, James M. Blackwell, Patrick Theofanis, Fernando A. Escobedo
Summary: This work introduces a computational framework to study the molecular inhomogeneities in chemically amplified photoresists. Molecular dynamics simulations were used to investigate the effect of ionic and steric interactions on the dispersibility of photoacid generators (PAGs) in polymer medium. The results show that the dispersibility of PAGs varies depending on their ionic nature and the polymer used.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Liang Song, Si-Yu Xu, Feng-Qi Zhao, Xue-Hai Ju
Summary: This study investigated the oxidation mechanism of highly active aluminum hydride nanoparticles (AHNPs) by gaseous oxides using reactive force field molecular dynamics. It was found that H2 bubbles formed in the core of AHNPs act as micro-explosion promoters, accelerating the dissociation of gaseous oxides. This provides an in-depth understanding of the dehydrogenation and oxidation of metal hydride nanoparticles.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Materials Science, Multidisciplinary
Rosemary R. Cranston, Benjamin King, Chloe Dindault, Trevor M. Grant, Nicole A. Rice, Claire Tonnele, Luca Muccioli, Frederic Castet, Sufal Swaraj, Benoit H. Lessard
Summary: This study investigated the charge transport properties of (3PS)(2)-SiPc and its polymorphic forms in n-type OTFTs fabricated by different methods. The results demonstrated consistent charge transport properties of (3PS)(2)-SiPc OTFTs achieved under different fabrication conditions, indicating the processing versatility of this material.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Dianming Sun, Rishabh Saxena, Xiaochun Fan, Stavros Athanasopoulos, Eimantas Duda, Ming Zhang, Sergey Bagnich, Xiaohong Zhang, Eli Zysman-Colman, Anna Koehler
Summary: The potential of dendrimers with thermally activated delayed fluorescence (TADF) as emitters in OLEDs has not been fully realized, partly due to a lack of understanding of the structure-property relationship in dendrimers. This study used absorption and solvatochromic photoluminescence studies to probe the excited electronic states in dendrimers with different connecting modes, finding superior performance in meta-linked dendrimers. Comparative solid-state photoluminescence measurements and quantum chemical studies revealed the impact of substitution mode on TADF properties and the RISC mechanism, with the regiochemistry of donor dendrons playing a key role in enhancing RISC.
Article
Chemistry, Physical
Ashish Sharma, Stavros Athanasopoulos, Yun Li, Samuel N. Sanders, Elango Kumarasamy, Luis M. Campos, Girish Lakhwani
Summary: This study investigates interchromophoric interactions in pentacene dimers using magnetic circular dichroism (MCD) spectroscopy. By analyzing experimental MCD spectra, the molecular structure of the bridging units was found to affect the through-space Coulombic and through-bond exchange interactions. The results demonstrate the significant through-bond interactions in dimers with conjugated molecules as bridging units, which promote the overall electronic coupling in the system.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Review
Chemistry, Multidisciplinary
Frederic Castet, Claire Tonnele, Luca Muccioli, Benoit Champagne
Summary: Computational chemistry has played an important role in understanding the nonlinear optical responses of organic chromophores in the past 30 years. Recent studies have shown the significant impact of structural fluctuations on the nonlinear optical responses, affecting their distribution and variation. This article presents case studies that highlight the importance of these effects in simulating second-order nonlinear optical properties.
ACCOUNTS OF CHEMICAL RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Hossein Goudarzi, Loukas Koutsokeras, Ahmed H. Balawi, Chen Sun, Giorgos K. Manolis, Nicola Gasparini, Yuan Peisen, Giannis Antoniou, Stavros Athanasopoulos, Charalampos C. Tselios, Polycarpos Falaras, Constantinos Varotsis, Frederic Laquai, Juan Cabanillas-Gonzalez, Panagiotis E. Keivanidis
Summary: This study investigates a solution-processed model green-to-blue triplet-triplet annihilation induced photon energy up-conversion (TTA-UC) binary composite. The solid-state microstructure of the composite is examined by a set of complementary characterization techniques. The results reveal the correlation between the composition of the composite and its photophysical properties, providing insights for the effective integration of functional TTA-UC interlayers.
Article
Chemistry, Multidisciplinary
Daniel Kroh, Stavros Athanasopoulos, Vojtech Nadazdy, Frank-Julian Kahle, Heinz Bassler, Anna Kohler
Summary: By measuring energy-resolved impedance and intrinsic photoconduction, this study investigates the dissociation of charge-transfer (CT) states in a PM6:Y6 solar cell. It finds that the Coulomb binding energy of the CT state is lower than expected due to hole delocalization and electron sharing among Y6 molecules. The temperature dependence of the photocurrent is not reflective of the CT state's binding energy because the dissociation process has a different activation energy and the saturation of dissociation yield occurs when the rate of dissociation exceeds the rate of intrinsic decay.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Physics, Applied
Will Clarke, Matthew V. Cowley, Matthew J. Wolf, Petra Cameron, Alison Walker, Giles Richardson
Summary: By analyzing a drift-diffusion model of a planar three-layer perovskite solar cell using asymptotic techniques, we uncover the cause of inverted hysteresis and obtain a simple approximate model that shows excellent agreement with numerical simulations. This provides fundamental insights into the phenomenon and reconciles the alternative explanations found in the literature.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Chemistry, Physical
Otello Maria Roscioni, Matteo Ricci, Claudio Zannoni, Gabriele D'Avino
Summary: The quality of amorphous molecular morphologies obtained with a new coarse-grained model is compared with reference atomistic data. The study focuses on small-molecule organic semiconductors in their pristine and doped forms, analyzing their structural features and electronic properties. The results demonstrate that the accurate coarse-grained model produces molecular glasses that are highly similar to atomistic samples, with even better agreement after back-mapping. The electronic properties of the back-mapped morphologies are almost indistinguishable from the atomistic reference, supporting the feasibility of large-scale simulations of complex molecular systems at a reduced computational cost.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Biochemistry & Molecular Biology
Giacomo Fanciullo, Silvia Orlandi, Andrey S. Klymchenko, Luca Muccioli, Ivan Rivalta
Summary: The aggregation of charged dyes in a solution, such as Rhodamine B (RB), is affected by the type of counterion, which determines the self-assembled structure and optical properties. Hydrophobic and bulky fluorinated tetraphenylborate counterions, like F5TPB, can enhance RB aggregation and form nanoparticles, affecting the fluorescence quantum yield (FQY) depending on the degree of fluorination. A classical force field (FF) based on the generalized Amber parameters was developed to model the self-assembling process of RB/F5TPB systems, consistent with experimental evidence. The simulations demonstrated the formation of nanoparticles in the RB/F5TPB system and only RB dimeric species in the presence of iodide counterions. This research provides atomistic details on the role of F5TPB counterions as spacers and represents progress towards reliable modeling of dye aggregation in RB-based materials.
Article
Multidisciplinary Sciences
Emilio Lorini, Lorenzo Soprani, Luca Muccioli
Summary: This article uses a computational approach to simulate and study three types of thin films on graphite to understand the relationship between crystal formation and surface diffusion. The final morphologies are rationalized by analyzing the contributions of intermolecular interactions and molecular rearrangements during deposition. The energy barriers preventing molecular diffusion and the reorganization of the films upon high-temperature annealing are evaluated using the generated structures. The proposed approach, which shows broad agreement with experimental observations and the ability to evaluate potential energy surfaces at the molecular level, is a promising tool for making predictions for other systems.
ADVANCED THEORY AND SIMULATIONS
(2023)
Article
Energy & Fuels
Will Clarke, Matthew J. Wolf, Alison Walker, Giles Richardson
Summary: We present a drift-diffusion model of a perovskite solar cell (PSC) where carrier transport in the charge transport layers (TLs) deviates from the Boltzmann approximation. The form of the density of states function and its influence on carrier transport are discussed. Comparisons between full FD and Boltzmann models show significant differences in power conversion efficiency and dynamic simulations. The study suggests the inadequacy of the standard Boltzmann-based approach and demonstrates that the full FD treatment gives a more accurate representation of steady-state performance.
JOURNAL OF PHYSICS-ENERGY
(2023)
Article
Materials Science, Multidisciplinary
Gregor Skacej, Lara Querciagrossa, Claudio Zannoni
Summary: We investigated the properties of main-chain liquid crystal elastomers (LCEs) with different populations of trans and cis conformers using Monte Carlo simulations. Increasing the fraction of cis conformers shifted the nematic-isotropic transition to a lower temperature and generated internal stress. Comparing nematic and smectic LCEs, actuation was less effective in the smectic phase but preserved the orientational order of the azobenzene moieties.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Renato F. de Souza, Claudio Zannoni
Summary: Many studies on the orientational dynamics of molecules in liquid crystals rely on stochastic models for their time evolution. We have proposed a model to describe the rotational diffusion of shape-changing particles dissolved in fluids, and extended it to accommodate biaxial symmetry in the host medium.
Article
Chemistry, Multidisciplinary
Xiangkun Jia, Lorenzo Soprani, Giacomo Londi, Seyed Mehrdad Hosseini, Felix Talnack, Stefan Mannsfeld, Safa Shoaee, Dieter Neher, Sebastian Reineke, Luca Muccioli, Gabriele D'Avino, Koen Vandewal, David Beljonne, Donato Spoltore
Summary: This article investigates the impact of interfacial energetics and molecular arrangement on charge separation and radiative recombination in organic solar cells. It finds that an ordered molecular packing at the donor-acceptor interface is beneficial for efficient charge separation and higher fill factors in photovoltaic devices.
MATERIALS HORIZONS
(2023)
Article
Chemistry, Physical
Emmanouil Orfanos, Kalliopi Ladomenou, Panagiotis A. Angaridis, Theodoros Papadopoulos, Georgios Charalambidis, Maria Vasilopoulou, Athanassios G. Coutsolelos
Summary: A stable system containing a Pt metalated porphyrin as a molecular solid photocatalyst in acidic aqueous solution is able to efficiently produce hydrogen, under visible light irradiation.
SUSTAINABLE ENERGY & FUELS
(2022)
Article
Chemistry, Multidisciplinary
Alexander M. Prophet, Kritanjan Polley, Gary J. Van Berkel, David T. Limmer, Kevin R. Wilson
Summary: The oxidation kinetics of iodide by ozone at the air-water interface is studied in single microdroplets. Molecular simulations and kinetic modeling are used to understand the underlying multiphase mechanism.
Article
Chemistry, Multidisciplinary
Rong Zhang, Jiajing Lan, Fei Wang, Shumei Chen, Jian Zhang
Summary: By utilizing 1,1'-ferrocene dicarboxylic acid as a chelating and surface protection ligand, we have synthesized multi-nuclear indium oxide clusters with varying nuclear sizes, including heptanuclear and thirteen-nuclear clusters. These clusters possess labile coordination sites, allowing for structural modification and self-assembly, resulting in the formation of various cluster structures.
Article
Chemistry, Multidisciplinary
Hui Wang, Hui Liu, Mingsen Wang, Jiaheng Hou, Yongjun Li, Yuancheng Wang, Yingjie Zhao
Summary: Two supramolecular complexes were prepared using CBs and M1, and their single-crystal structures were analyzed by SCXRD. The unexpected 1:2 self-assembly structure between M1 and CB[8] was discovered for the first time. These complexes exhibit unique photophysical properties and provide valuable information about the structure and photophysical properties of supramolecular complexes.
Article
Chemistry, Multidisciplinary
Chang-Hee Lee, Sookil Park, Sanggil Kim, Ji Young Hyun, Hyun Soo Lee, Injae Shin
Summary: The epidermal growth factor receptor (EGFR) is a cell-surface glycoprotein involved in cell proliferation and tumor development. This study used a fluorescently labeled EGFR to investigate its time-dependent endocytosis in live cells and found that appended glycans affect EGFR internalization. Additionally, the study detected sialic acid residues attached to EGFR on the live cell surface using FRET-based imaging. This research provides valuable insights into the cellular functions of EGFR.
Article
Chemistry, Multidisciplinary
Subhankar Sahu, Lokesh Kumar, Sumita Das, Dipti Gupta, Ruchi Anand
Summary: This study proposes a strategy that combines organic electronics with biosensor scaffolds to create a compact device for monitoring environmental aromatic pollution. By coupling biosensing protein MopR with an organic electrochemical transistor (OECT), a sensor module capable of efficient detection of phenol was designed. Exclusive phenol detection with minimal loss of sensitivity could be achieved in complex pollutant mixtures and real environmental samples.
Review
Chemistry, Multidisciplinary
Changseok Lee, Hyung-Joon Kang, Sungwoo Hong
Summary: The formation of C-N bonds through hydroamination reactions catalyzed by nickel hydrides has been a topic of recent interest. This approach offers a way to efficiently transform a variety of alkene and alkyne substrates into compounds enriched with C-N bonds. The review provides a concise overview of the underlying reaction mechanisms and aims to stimulate further progress in NiH-catalytic techniques and catalyst design.
Article
Chemistry, Multidisciplinary
Yueci Wu, Lu-Lu Sun, Hai-Hao Han, Xiao-Peng He, Weiguo Cao, Tony D. James
Summary: Drug-induced liver injury (DILI) is a common cause of acute liver failure in the USA and Europe, but most cases can be recovered or prevented by discontinuing the offending drug. Recent research has found that peroxynitrite (ONOO-) can be used as a potential indicator for early diagnosis of DILI, and there is an urgent need to establish a method to detect and track peroxynitrite in DILI cases. In this study, a FRET-based nano fluorescent probe CD-N-I was developed, which showed high selectivity and sensitivity in detecting peroxynitrite. The probe successfully detected exogenous peroxynitrite in live cells and endogenous peroxynitrite in APAP-induced liver injury of HepG2 cells.
Article
Chemistry, Multidisciplinary
Dmitry L. Lipilin, Mikhail O. Zubkov, Mikhail D. Kosobokov, Alexander D. Dilman
Summary: This article describes a direct photocatalytic method for the thiolation of unprotected acids, which was previously challenging. By using a thionocarbonate reagent with an N-O bond, the efficient conversion of carboxylic acids to thiols is achieved.
Article
Chemistry, Multidisciplinary
Jason Malenfant, Lucille Kuster, Yohann Gagne, Kouassi Signo, Maxime Denis, Sylvain Canesi, Mathieu Frenette
Summary: Raman microscopy can reveal compound-specific vibrational fingerprints without sample preparation. The combination of efficient theoretical calculations and a user-friendly software can accurately predict peak positions and provide match scores to assist with structure determination.
Article
Chemistry, Multidisciplinary
Jayoh A. Hernandez, Paul S. Micus, Sean Alec Lois Sunga, Luca Mazzei, Stefano Ciurli, Gabriele Meloni
Summary: Essential trace metals play crucial roles in the survival and virulence of bacterial pathogens. Helicobacter pylori requires nickel for colonization and persistence in the stomach, and NixA is an essential nickel transporter in this process. This study characterizes the selectivity and electrogenic nature of NixA-mediated nickel transport.
Article
Chemistry, Multidisciplinary
Tarali Devi, Kuheli Dutta, Jennifer Deutscher, Stefan Mebs, Uwe Kuhlmann, Michael Haumann, Beatrice Cula, Holger Dau, Peter Hildebrandt, Kallol Ray
Summary: This study emphasizes the importance of subtle electronic changes and secondary interactions in the stability of biologically relevant metal-dioxygen intermediates. It also shows that the role of the chloride ligand in stabilizing the Fe-III-(OOBu)-Bu-t moiety can extend to other anions, including the thiolate ligand.
Article
Chemistry, Multidisciplinary
Jacqueline R. Santhouse, Jeremy M. G. Leung, Lillian T. Chong, W. Seth Horne
Summary: By studying the folding kinetics and mechanism of the BdpA sequence, researchers found that altering the backbone connectivity can affect protein folding. This suggests that protein mimetic chains have a significant degree of plasticity in transitioning between unfolded and folded states.
Article
Chemistry, Multidisciplinary
Divanshu Gupta, Ralf Einholz, Holger F. Bettinger
Summary: This study presents the first direct spectroscopic evidence of a cyclic seven-membered iminoborane. Compared to linear amino-iminoboranes, this cyclic iminoborane exhibits weakened bond strength and lower Lewis acidity value. The study suggests that the reduced ring strain of cyclic iminoborane prevents nitrogen fixation but allows facile (2 + 2) cycloaddition reaction with C2H4.
Article
Chemistry, Multidisciplinary
Renny Mathew, Aniruddha Mazumder, Praveen Kumar, Julie Matula, Sharmarke Mohamed, Petr Brazda, Mahesh Hariharan, Brijith Thomas
Summary: This study reveals the packing arrangement of partially disordered nitro-perylenediimide (NO2-PDI) using a synergistic approach that combines 3D ED, ssNMR, and DFT techniques. By overcoming these challenges, this methodology opens up new avenues for material characterization, driving exciting advancements in the field.