{"title":"Understanding the complete bioluminescence cycle from a multiscale computational perspective: A review","authors":"Ya-Jun Liu","doi":"10.1016/j.jphotochemrev.2022.100537","DOIUrl":"https://doi.org/10.1016/j.jphotochemrev.2022.100537","url":null,"abstract":"<div><p><span>Bioluminescence (BL) is an amazing natural phenomenon whose visible light is produced by living organisms. BL phenomenon is quite pervasive and has been observed in 17 phyla of 4 kingdoms. This fascinating natural phenomenon has unceasingly attracted people’s curiosity from ancient era to today. For a very long time, we can only receive some sporadic and static information from experimental observations, the mechanism of most BL remains is unclear. How the chemical reaction of BL process is initiated? Where the energy for light emission comes from? How does the light emitter produce? What is the light emitter for a wild bioluminescent organism? How to regain luciferin for next bioluminescence when it is used up? The luciferin is utilized forthwith or stored and release for subsequent light emission? What factors affect the color and strength of a bioluminescence? How to artificially tune the bioluminescence for special application? Computational BL plays unreplaceable role in answering these mechanistic questions. In contrast with experimental BL, computational BL came very late. In the past two decades, computational BL has touched nearly all the bioluminescent systems with chemical bases via the method of multiscale simulation. In this review, the author firstly introduced the history, types and general chemical process of BL. Then, the computational scheme on BL was briefly epitomized. Using firefly BL as a paradigmatic case, the author summarized theoretical investigation on the six stages of general chemical process in a BL cycle: luciferin </span>oxidation, peroxide thermolysis, light emission, luciferin regeneration, luciferin storage and luciferin release. At each stage, the available theoretical studies of other bioluminescent organisms are briefly introduced and compared with the firefly system. Basing on the mechanistic understanding, the author reviewed the up-to-date theoretical design on bioluminescent systems. Again, the firefly was mainly focused on, and the other possible systems were just briefly introduced. This review summarized the theoretical studies to date on BL and addressed the status, critical challenges and future prospects of computational BL.</p></div>","PeriodicalId":376,"journal":{"name":"Journal of Photochemistry and Photobiology C: Photochemistry Reviews","volume":"52 ","pages":"Article 100537"},"PeriodicalIF":13.6,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1612399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Masahiko Taniguchi , David F. Bocian , Dewey Holten , Jonathan S. Lindsey
{"title":"Beyond green with synthetic chlorophylls – Connecting structural features with spectral properties","authors":"Masahiko Taniguchi , David F. Bocian , Dewey Holten , Jonathan S. Lindsey","doi":"10.1016/j.jphotochemrev.2022.100513","DOIUrl":"https://doi.org/10.1016/j.jphotochemrev.2022.100513","url":null,"abstract":"<div><p><span><span>The distinct features of chlorophylls in photosynthesis have led to the formation of numerous derivatives for applications encompassing solar energy conversion, molecular photonics, photodynamic therapy, and molecular imaging. Synthetic </span>chlorins created </span><em>de novo</em> and bearing a geminal dimethyl group in the reduced ring have proved invaluable for fundamental studies. Four decades of research have led to accumulation of tabulated spectra for > 400 such synthetic chlorins with distinct structural frameworks (17-oxochlorins, 13<sup>1</sup><span>-oxophorbines, chlorinimides) and substituents (alkyl, aryl, ethynyl<span><span>, phenylethynyl, acetyl, formyl) located at specific (meso, β) positions. In this review, spectral traces (324 absorption, 247 fluorescence) are assembled along with photophysical data including the molar absorption coefficient (ε), </span>fluorescence quantum yield (Φ</span></span><sub>f</sub>) and singlet excited-state lifetime (τ<sub>s</sub><span>). The review uses the accumulated spectral data derived from chlorins all containing a uniform molecular scaffold to (1) highlight the effects of molecular structure on spectral features, and (2) identify trends including how ε, Φ</span><sub>f</sub> and τ<sub>s</sub><span><span> vary with wavelength and other features. Use of a common geminal-dimethyl-substituted chlorin scaffold – beginning with no substituents, to one substituent at designated sites, and to 2 or more substituents – provides a systematic Aufbau approach for understanding the absorption spectra of chlorins on a path to and beyond the native chlorophylls. The review provides insights concerning the rational design of potent analogues of Nature’s preeminent red-region absorbers for potential utilization in diverse applications and is aimed at multiple audiences: those interested in spectral properties, tetrapyrrole </span>photophysics<span>, and the molecular design of new chromophores.</span></span></p></div>","PeriodicalId":376,"journal":{"name":"Journal of Photochemistry and Photobiology C: Photochemistry Reviews","volume":"52 ","pages":"Article 100513"},"PeriodicalIF":13.6,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3210082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Optical trapping in micro- and nanoconfinement systems: Role of thermo-fluid dynamics and applications","authors":"Tetsuro Tsuji , Kentaro Doi , Satoyuki Kawano","doi":"10.1016/j.jphotochemrev.2022.100533","DOIUrl":"https://doi.org/10.1016/j.jphotochemrev.2022.100533","url":null,"abstract":"<div><p>In this mini-review, recent advances on the role of a focused laser in micro- and nanofluidic systems is widely introduced with special interest in thermo-fluid dynamical aspects and their importance in optical manipulation. As a brief introduction to microfluidic systems, we describe the advantages and challenges of the use of micro- and nanoscale confinement in optical trapping, as well as standard fabrication techniques for micro- and nanofluidic systems. From thermo-fluid dynamical viewpoints, various phenomena that accompany a laser irradiation to fluidic devices, are explained in detail. These phenomena can affect the optical trapping of target materials significantly, and are classified into two categories: one that induces the fluid flow around the target and another that directly acts on it as an external force. These classes are reviewed by shedding light on some recent cutting-edge researches for optical manipulation. Some applications using thermo-fluid dynamics in microfluidic systems for the measurement of optical forces and for the separation, measurement, and detection of target materials are also introduced.</p></div>","PeriodicalId":376,"journal":{"name":"Journal of Photochemistry and Photobiology C: Photochemistry Reviews","volume":"52 ","pages":"Article 100533"},"PeriodicalIF":13.6,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2891929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Junsuke Yamanishi , Yan Jun Li , Yoshitaka Naitoh , Yasuhiro Sugawara
{"title":"Nanoscale optical imaging with photoinduced force microscopy in heterodyne amplitude modulation and heterodyne frequency modulation modes","authors":"Junsuke Yamanishi , Yan Jun Li , Yoshitaka Naitoh , Yasuhiro Sugawara","doi":"10.1016/j.jphotochemrev.2022.100532","DOIUrl":"https://doi.org/10.1016/j.jphotochemrev.2022.100532","url":null,"abstract":"<div><p>In this review, we introduce the operating principle of photoinduced force microscopy<span> (PiFM) and its applications. First, we introduce that the photoinduced force includes the gradient force and the scattering force. Next, we explain how to eliminate the effects of photothermal effects on the metal tip and sample surface caused by light irradiation<span>. Then, we introduce a PiFM operating in air based on the tapping mode and present images of SiNc clusters. Furthermore, we introduce a PiFM operating in vacuum based on the frequency modulation (FM) mode, and present the results of three-dimensional photo-induced force vector measurements of semiconductor quantum dots.</span></span></p></div>","PeriodicalId":376,"journal":{"name":"Journal of Photochemistry and Photobiology C: Photochemistry Reviews","volume":"52 ","pages":"Article 100532"},"PeriodicalIF":13.6,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3021424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Optical manipulation with nanoscale chiral fields and related photochemical phenomena","authors":"Hiromi Okamoto","doi":"10.1016/j.jphotochemrev.2022.100531","DOIUrl":"https://doi.org/10.1016/j.jphotochemrev.2022.100531","url":null,"abstract":"<div><p><span>Chiral light-matter interaction occurs when the system consists of the matter and the light has a chiral structure, which is generically called the chiro-optical effect. Circular dichroism and optical rotation<span><span> are representative spectroscopic methods based on chiro-optical effects. Chiro-optical effects have been widely utilized to detect chiral materials in the system. The chiro-optical effect also has the potential to create chiral materials from achiral materials and chiral optical fields, and to generate chiral optical fields from chiral matter systems. To achieve that, the design and observation of chiral optical field structures are essential. In this article, we describe local chiral optical fields generated in the peripheries of nanomaterials (typically metal nanostructures) irradiated with light. We summarize basic characteristics of nanoscale local chiral optical fields, methods to observe/control the chiral optical field structures at nanomaterials. Then some chemical, optical, and mechanical effects of designed chiral optical fields are described. Chiral nanostructures were created from achiral nanomaterials combined with circularly </span>polarized light. Nucleation of chiral crystals of achiral molecules was achieved by circularly polarized light with the aid of plasmonic materials. Circularly </span></span>polarized luminescence<span> was observed from achiral fluorescent molecules conjugated with chiral plasmonic nanostructures. On mechanical characteristics, optical forces exerted on chiral materials were found to be dependent on the handedness of incident circularly polarized light, which can be utilized to discriminate the chirality of the material. The concept can be further generalized to the spin-dependent asymmetric light-matter interactions, which will create not only the molecular- and nano-scale chiral structures but also various novel functions of materials that are correlated with the handedness degree of freedom.</span></p></div>","PeriodicalId":376,"journal":{"name":"Journal of Photochemistry and Photobiology C: Photochemistry Reviews","volume":"52 ","pages":"Article 100531"},"PeriodicalIF":13.6,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3021423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Manipulation of nucleation and polymorphism by laser irradiation","authors":"Teruki Sugiyama , Shun-Fa Wang","doi":"10.1016/j.jphotochemrev.2022.100530","DOIUrl":"https://doi.org/10.1016/j.jphotochemrev.2022.100530","url":null,"abstract":"<div><p><span>Recently, laser-induced nucleation (LIN) has been attracting significant attention because of its many advantages, including non-mechanical contact, spatiotemporal controllability, and high nucleation probability. Consequently, there is a high demand for precise control methods for polymorphism, particularly in the pharmaceutical industry. The precise control of nucleation and polymorphism, as well as the expansion of their versatility, is indispensable in elucidating the mechanism of nucleation and polymorphism. If LIN can be exploited to precisely control polymorphism, it will be possible to appropriately control the solubility, bioavailability, and stability of targets. Currently, numerous mechanisms for LIN involving targets, solvents, laser light sources, and additives have been proposed. In this review, the authors summarize the history and current state of the research on nucleation and LIN-controlled polymorphism reported over the past two decades while focusing on the different light sources (pulsed laser </span><em>vs.</em> continuous-wave laser). Furthermore, the authors introduce the classical nucleation and two-step nucleation models and discuss the similarities and differences in the mechanisms of nucleation and polymorphism control based on these two models.</p></div>","PeriodicalId":376,"journal":{"name":"Journal of Photochemistry and Photobiology C: Photochemistry Reviews","volume":"52 ","pages":"Article 100530"},"PeriodicalIF":13.6,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1612396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Molecule in soft-crystal at ground and excited states: Theoretical approach","authors":"Jia-Jia Zheng , Shigeyoshi Sakaki","doi":"10.1016/j.jphotochemrev.2022.100482","DOIUrl":"https://doi.org/10.1016/j.jphotochemrev.2022.100482","url":null,"abstract":"<div><p>This account discusses first two computational methods which can be applied to electronic structure calculations of soft-crystals; one is a method composed of the periodic-density functional theory (DFT) for an infinite crystal and the post-Hartree-Fock method for a cluster model, named here cluster-model/periodic-model combined method (abbreviated as CM/PM-Combined method). The other is a quantum mechanics/periodic-molecular mechanics (named QM/Periodic-MM) method, in which a target molecule is calculated by the DFT or the post-Hartree-Fock method and the other moiety is calculated by the MM method under the periodic boundary condition. Then, the performance of these two methods is discussed. The CM/PM-Combined method exhibited good performance for investigating the gas adsorption into MOF and the QM/Periodic-MM succeeded in reproducing geometry of single crystal of platinum(II) complexes. The QM/periodic-MM method has been applied to theoretical studies of the excited state and the emission spectrum in soft-crystals: In a theoretical study of a gold(I) phenyl phenylisocyanide complex, the geometries of a triplet ligand-to-ligand charger transfer (<sup>3</sup>LLCT) and a triplet metal-metal to ligand charge-transfer (<sup>3</sup>MMLCT) excited states were optimized in the crystal and the dependences of absorption and emission energies on crystal phase were discussed. In a theoretical study of a platinum(II) dicyano bipyridine complex, the geometries of several delocalized <sup>3</sup>MMLCT excited states, emission spectra, and their temperature dependences were investigated in the crystal. In both gold(I) and platinum(II) complexes, the characteristic features of the excited state and the emission spectra were elucidated by the theoretical calculations. Although the CM/PM-Combined method has not been applied to photochemistry issue, brief discussion is presented for its possibility for the application.</p></div>","PeriodicalId":376,"journal":{"name":"Journal of Photochemistry and Photobiology C: Photochemistry Reviews","volume":"51 ","pages":"Article 100482"},"PeriodicalIF":13.6,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"2283669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhe Shi , He Zhang , Karim Khan , Rui Cao , Ye Zhang , Chunyang Ma , Ayesha Khan Tareen , Yuanfei Jiang , Mingxing Jin , Han Zhang
{"title":"Two-dimensional materials toward Terahertz optoelectronic device applications","authors":"Zhe Shi , He Zhang , Karim Khan , Rui Cao , Ye Zhang , Chunyang Ma , Ayesha Khan Tareen , Yuanfei Jiang , Mingxing Jin , Han Zhang","doi":"10.1016/j.jphotochemrev.2021.100473","DOIUrl":"https://doi.org/10.1016/j.jphotochemrev.2021.100473","url":null,"abstract":"<div><p>Two-dimensional (2D) materials have become a worldwide hot topic due to their fascinating properties, including high carrier mobility, tunable bandgap, ultra-broadband optical absorption and response. The versatility of 2D materials enable it hold great potential to achieve high performance Terahertz (THz) optoelectronic devices. However, the THz radiation, range from infrared to microwave, known as the THz gap, much less investigated than that of other electromagnetic wave. Motivated by this lack of knowledge, we reviewed the recent advances of research into 2D materials based THz optoelectronic devices. Firstly, we introduced the background and motivation of this review. Then, the suitable 2D material candidates are exhibited, followed by a comprehensive review of their applications in THz generation devices, modulator, THz shielding, and photodetectors. Finally, the challenges and further development directions are concluded. We believe that some milestone investigations of 2D materials based THz optoelectronic devices will emerge soon, which will bring about great industrial revelations in 2D materials-based nanodevice commercialization.</p></div>","PeriodicalId":376,"journal":{"name":"Journal of Photochemistry and Photobiology C: Photochemistry Reviews","volume":"51 ","pages":"Article 100473"},"PeriodicalIF":13.6,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"1992906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}