Extensive recent progress has been made on the design and applications of organic photothermal agents for biomedical applications because of their excellent biocompatibility comparing with inorganic materials. One major hurdle for the further development and applications of organic photothermal agents is the rarity of high‐performance materials in the second near‐infrared (NIR‐II) window, which allows deep tissue penetration and causes minimized side effects. Up till now, there have been few reported NIR‐II‐active photothermal agents and their photothermal conversion efficiencies are relatively low. Herein, optical absorption of π‐conjugated small molecules from the first NIR window to the NIR‐II window is precisely regulated by molecular surgery of substituting an individual atom. With this technique, the first demonstration of a conjugated oligomer (IR‐SS) with an absorption peak beyond 1000 nm is presented, and its nanoparticle achieves a record‐high photothermal conversion efficiency of 77% under 1064 nm excitation. The nanoparticles show a good photoacoustic response, photothermal therapeutic efficacy, and biocompatibility in vitro and in vivo. This work develops a strategy to boost the light‐harvesting efficiency in the NIR‐II window for cancer theranostics, offering an important step forward in advancing the design and application of NIR‐II photothermal agents.

We developed a biodegradable photothermal therapeutic (PTT) agent, π-conjugated oligomer nanoparticles (F8-PEG NPs), for highly efficient cancer theranostics. By exploiting an oligomer with excellent near-infrared (NIR) absorption, the nanoparticles show a high photothermal conversion efficiency (PCE) up to 82%, surpassing those of reported inorganic and organic PTT agents. In addition, the oligomer nanoparticles show excellent photostability and good biodegradability. The F8-PEG NPs are also demonstrated to have excellent biosafety and PTT efficacy both in vitro and in vivo. This contribution not only proposes a promising oligomer-based PTT agent but also provides insight into developing highly efficient nanomaterials for cancer theranostics.

Extensive recent efforts have been put on the design of high‐performance organic near‐infrared (NIR) photothermal agents (PTAs), especially over NIR‐II bio‐window (1000–1350 nm). So far, the development is mainly limited by the rarity of molecules with good NIR‐II response. Here, we report organic nanoparticles of intermolecular charge‐transfer complexes (CTCs) with easily programmable optical absorption. By employing different common donor and acceptor molecules to form CTC nanoparticles (CT NPs), absorption peaks of CT NPs can be controllably tuned from the NIR‐I to NIR‐II region. Notably, CT NPs formed with perylene and TCNQ have a considerably red‐shifted absorption peak at 1040 nm and achieves a good photothermal conversion efficiency of 42 % under 1064 nm excitation. These nanoparticles were used for antibacterial application with effective activity towards both Gram‐negative and Gram‐positive bacteria. This work opens a new avenue into the development of efficient PTAs.

Solar water evaporation has been considered as a promising technique to harvest solar energy for practicable water evaporation. While different classes of materials have been exploited as solar absorbers, to date there is no report on using small organic molecules because of their narrow optical absorption spectra. We show here for the first time that full solar spectrum absorption can be conveniently achieved with commercially available small molecules via the formation of charge-transfer complex (CTC) cocrystals between the suitable donor and acceptor molecules. We demonstrate that a porous polymer scaffold loaded with suitable CTC cocrystal can show efficient full solar photothermal conversion leading to a high water evaporation rate of 1.67 kg m–2 h–1 via 90.3% solar conversion under 1 Sun, with practical multiple wastewater purification. This is the first report of a high-performance solar absorber using small organic molecules, suggesting CTC is a promising new class of solar absorbers deserving more attention.

Effective multimodality phototheranostics under deep-penetration laser excitation is highly desired for tumor medicine, which is still at a deadlock due to lack of versatile photosensitizers with absorption located in the long-wavelength region. Herein, we demonstrate a stable organic photosensitizer nanoparticle based on molecular engineering of benzo[c]thiophene (BT)-based photoactivated molecules with strong wavelength-tunable absorption in the near-infrared region. Via molecular design, the absorption and singlet oxygen generation of BT molecules would be reliably tuned. Importantly, the nanoparticles with a red-shifted absorption peak of 843 nm not only show over 10-fold reactive oxygen species yield compared with indocyanine green but also demonstrate a notable photothermal effect and photoacoustic signal upon 808 nm excitation. The in vitro and in vivo experiments substantiate good multimodal anticancer efficacy and imaging performance of BT theranostics. This work provides an organic photosensitizer nanoparticle with long-wavelength excitation and high photoenergy conversion efficiency for multimodality phototherapy.

A plasmonic solar absorber, featuring broadband light harvesting by manipulating the structural anisotropy at the single nanoparticle level, enables absorption over the entire solar spectrum.

A recent breakthrough in the discovery of thermally activated delayed fluorescence (TADF) emitters characterized by small single-triplet energy offsets (ΔE ST) offers a wealth of new opportunities to exploit high-performance metal-free photosensitizers. In this report, two intrinsically cancer-mitochondria-targeted TADF emitters-based nanoparticles (TADF NPs) have been developed for two-photon-activated photodynamic therapy (PDT) and fluorescence imaging. The as-prepared TADF NPs integrate the merits of (1) high 1O2 quantum yield of 52%, (2) sufficient near-infrared light penetration depth due to two-photon activation, and (3) excellent structure-inherent mitochondria-targeting capabilities without extra chemical or physical modifications, inducing remarkable endogenous mitochondria-specific reactive oxygen species production and excellent cancer-cell-killing ability at an ultralow light irradiance. We believe that the development of such intrinsically multifunctional TADF NPs stemming from a single molecule will provide new insights into exploration of novel PDT agents with strong photosensitizing ability for various biomedical applications.

Hypoxic microenvironment severely reduces therapeutic efficacy of oxygendependent photodynamic therapy in solid tumor due to the hampered cytotoxic oxygen radicals generation. Herein, a biocompatible nanoparticle (NP) is developed by combining bovine serum albumin, indocyanine green (ICG), and an oxygen-independent radicals generator (AIPH) for efficient sequential cancer therapy, denoted as BIA NPs. Upon near-infrared irradiation, the photothermal effect generated by ICG will induce rapid decomposition of AIPH to release cytotoxic alkyl radicals, leading to cancer cell death in both normoxic and hypoxic environments. Moreover, such nanosystem provides the highest AIPH loading capacity (14.9%) among all previously reported radical nanogenerators (generally from 5-8%). Additionally, the aggregation-quenched fluorescence of ICG molecules in the NPs can be gradually released and recovered upon irradiation enabling real-time drug release monitoring. More attractively, these BIA NPs exhibit remarkable anticancer effects both in vitro and in vivo, achieving 100% tumor elimination and 100% survival rate among 50 days treatment. These results highlight that this albumin-based nanoplatform is promising for high-performance cancer therapy circumventing hypoxic tumor environment and possessing great potential for future clinical translation.