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Full-spectrum cannabidiol reduces UVB damage through the inhibition of TGF-β1 and the NLRP3 inflammasome. 全谱大麻二酚通过抑制 TGF-β1 和 NLRP3 炎性体减少 UVB 损伤。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-01-01 Epub Date: 2024-07-03 DOI: 10.1111/php.13993
I M Urrutia-Ortega, I Valencia, O Ispanixtlahuatl-Meraz, J C Benítez-Flores, A M Espinosa-González, E A Estrella-Parra, C M Flores-Ortiz, Y I Chirino, J G Avila-Acevedo

The thermodynamic characteristics, antioxidant potential, and photoprotective benefits of full-spectrum cannabidiol (FS-CBD) against UVB-induced cellular death were examined in this study. In silico analysis of CBD showed antioxidant capacity via proton donation and UV absorption at 209.09, 254.73, and 276.95 nm, according to the HAT and SPLET methodologies. FS-CBD protected against UVB-induced bacterial death for 30 min. FS-CBD protected against UVB-induced cell death by 42% (1.5 μg/mL) and 35% (3.5 μg/mL) in an in vitro keratinocyte cell model. An in vivo acute irradiated CD-1et/et mouse model (UVB-irradiated for 5 min) presented very low photoprotection when FS-CBD was applied cutaneously, as determined by histological analyses. In vivo skin samples showed that FS-CBD regulated inflammatory responses by inhibiting the inflammatory markers TGF-β1 and NLRP3. The docking analysis showed that the CBD molecule had a high affinity for TGF-β1 and NLRP3, indicating that protection against inflammation might be mediated by blocking these proinflammatory molecules. This result was corroborated by the docking interactions between CBD and TGF-β1 and NLRP3, which resulted in a high affinity and inhibition of both proteins The present work suggested a FS-CBD moderate photoprotective agent against UVB light-induced skin damage and that this effect is partially mediated by its anti-inflammatory activity.

本研究考察了全谱大麻二酚(FS-CBD)的热力学特性、抗氧化潜力以及对紫外线诱导的细胞死亡的光保护作用。根据 HAT 和 SPLET 方法,CBD 通过质子捐赠和在 209.09、254.73 和 276.95 纳米波长的紫外线吸收显示出抗氧化能力。FS-CBD 可在 30 分钟内防止紫外线诱导的细菌死亡。在体外角质细胞模型中,FS-CBD 对紫外线诱导的细胞死亡的保护率分别为 42%(1.5 μg/mL)和 35%(3.5 μg/mL)。组织学分析表明,在体内急性辐照 CD-1et/et 小鼠模型(紫外线照射 5 分钟)中,皮肤涂抹 FS-CBD 的光保护作用非常低。体内皮肤样本显示,FS-CBD 可通过抑制炎症标志物 TGF-β1 和 NLRP3 来调节炎症反应。对接分析表明,CBD 分子与 TGF-β1 和 NLRP3 有很高的亲和力,这表明抗炎保护可能是通过阻断这些促炎分子来实现的。CBD 与 TGF-β1 和 NLRP3 的对接相互作用证实了这一结果,CBD 对这两种蛋白都有很高的亲和力和抑制作用。
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引用次数: 0
The mitigating effect of street trees, urban flora, and the suburban environment on seasonal peak UV indices: A case study from Brisbane, Australia. 行道树、城市植物群和郊区环境对季节性紫外线峰值指数的缓解作用:澳大利亚布里斯班案例研究。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-01-01 Epub Date: 2024-06-26 DOI: 10.1111/php.13988
Nathan James Downs, Abdurazaq Amar, John Dearnaley, Harry Butler, Stijn Dekeyser, Damien Igoe, Alfio V Parisi, Nawin Raj, Ravinesh Deo, Joanna Turner

Tree shade, particularly shade that obscures direct sunlight near peak periods of midday solar exposure can have a pronounced effect on potentially harmful ultraviolet radiation, and in turn, strongly influence the maximum daily UV index (UVI). In this study, the seasonal influence of tree shade on the UVI is evaluated from 210 hemispherical sky view images collected alongside public walkways and footpaths from 10 residential Brisbane suburbs. The effective sidewalk UV index is calculated underneath planted tree canopies, adjacent residential gardens, buildings and background tree species. Results are presented with respect to seasonal variations in the diurnal solar elevation for each month of the year at Brisbane's latitude. The research also examines the total reduction in UVI due to the presence of individual tree species, showing reductions in the midday UVI of up to 91% of an equivalent unimpeded sky hemisphere when overhead tree canopies are present. Important footpath tree species for peak midday UVI mitigation include Pongamia pinnata, Xanthostemon chrysanthus, Senna siamea, and Libidibia ferrea. The planting and maintenance of existing tree species already growing alongside residential Brisbane streets will improve the shade characteristics of suburbs and enhance UV protection for local residents.

树荫,尤其是遮挡正午太阳照射高峰期附近直射阳光的树荫,会对潜在的有害紫外线辐射产生明显影响,进而强烈影响最大日紫外线指数(UVI)。在这项研究中,我们从布里斯班 10 个郊区的公共人行道和人行道旁收集的 210 幅半球形天空视图图像中,评估了树荫对紫外线指数的季节性影响。计算了种植树冠、邻近住宅花园、建筑物和背景树种下的有效人行道紫外线指数。研究结果表明,在布里斯班纬度地区,每年每月的昼夜太阳高度都有季节性变化。研究还考察了由于个别树种的存在而导致的UVI总减少量,结果表明,当头顶树冠存在时,正午UVI减少量最高可达等效无阻碍天空半球的91%。对减缓正午UVI峰值有重要作用的行道树种包括小叶榕、鹅掌楸、番泻叶和铁线莲。种植和维护布里斯班住宅区街道两旁现有的树种,将改善郊区的遮荫特性,加强对当地居民的紫外线防护。
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引用次数: 0
Red light-activated depletion of drug-refractory glioblastoma stem cells and chemosensitization of an acquired-resistant mesenchymal phenotype. 红光激活难治性胶质母细胞瘤干细胞的耗竭和获得性耐药间质表型的化疗增敏。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-01-01 Epub Date: 2024-06-23 DOI: 10.1111/php.13985
Bryan Q Spring, Kohei Watanabe, Megumi Ichikawa, Srivalleesha Mallidi, Tatsuyuki Matsudaira, Dmitriy Timerman, Joseph W R Swain, Zhiming Mai, Hiroaki Wakimoto, Tayyaba Hasan

Glioblastoma stem cells (GSCs) are potent tumor initiators resistant to radiochemotherapy, and this subpopulation is hypothesized to re-populate the tumor milieu due to selection following conventional therapies. Here, we show that 5-aminolevulinic acid (ALA) treatment-a pro-fluorophore used for fluorescence-guided cancer surgery-leads to elevated levels of fluorophore conversion in patient-derived GSC cultures, and subsequent red light-activation induces apoptosis in both intrinsically temozolomide chemotherapy-sensitive and -resistant GSC phenotypes. Red light irradiation of ALA-treated cultures also exhibits the ability to target mesenchymal GSCs (Mes-GSCs) with induced temozolomide resistance. Furthermore, sub-lethal light doses restore Mes-GSC sensitivity to temozolomide, abrogating GSC-acquired chemoresistance. These results suggest that ALA is not only useful for fluorescence-guided glioblastoma tumor resection, but that it also facilitates a GSC drug-resistance agnostic, red light-activated modality to mop up the surgical margins and prime subsequent chemotherapy.

胶质母细胞瘤干细胞(GSCs)是对放化疗具有抗药性的强效肿瘤启动因子,据推测,这一亚群在接受传统疗法后会因选择而重新填充肿瘤环境。在这里,我们展示了 5-氨基乙酰丙酸(ALA)--一种用于荧光引导癌症手术的亲荧光剂--在患者衍生的 GSC 培养物中导致荧光剂转化水平升高,随后红光激活诱导了替莫唑胺化疗敏感和耐药 GSC 表型的细胞凋亡。红光照射 ALA 处理过的培养物还能靶向具有替莫唑胺耐药性的间质 GSC(Mes-GSC)。此外,亚致死光剂量可恢复间质间充质干细胞对替莫唑胺的敏感性,从而消除间充质干细胞获得的化疗耐药性。这些结果表明,ALA不仅适用于荧光引导下的胶质母细胞瘤肿瘤切除术,而且还能促进一种与GSC耐药性无关的红光激活模式,以清理手术边缘并为随后的化疗做准备。
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引用次数: 0
Does photobiomodulation alter mitochondrial dynamics? 光生物调制会改变线粒体动力学吗?
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-01-01 Epub Date: 2024-05-22 DOI: 10.1111/php.13963
Larissa Alexsandra da Silva Neto Trajano, Priscyanne Barreto Siqueira, Mariana Moreno de Sousa Rodrigues, Bruno Ricardo Barreto Pires, Adenilson de Souza da Fonseca, Andre Luiz Mencalha

Mitochondrial dysfunction is one of the leading causes of disease development. Dysfunctional mitochondria limit energy production, increase reactive oxygen species generation, and trigger apoptotic signals. Photobiomodulation is a noninvasive, nonthermal technique involving the application of monochromatic light with low energy density, inducing non-thermal photochemical effects at the cellular level, and it has been used due to its therapeutic potential. This review focuses on the mitochondrial dynamic's role in various diseases, evaluating the possible therapeutic role of low-power lasers (LPL) and light-emitting diodes (LED). Studies increasingly support that mitochondrial dysfunction is correlated with severe neurodegenerative diseases such as Parkinson's, Huntington's, Alzheimer's, and Charcot-Marie-Tooth diseases. Furthermore, a disturbance in mitofusin activity is also associated with metabolic disorders, including obesity and type 2 diabetes. The effects of PBM on mitochondrial dynamics have been observed in cells using a human fibroblast cell line and in vivo models of brain injury, diabetes, spinal cord injury, Alzheimer's disease, and skin injury. Thus, new therapies aiming to improve mitochondrial dynamics are clinically relevant. Several studies have demonstrated that LPL and LED can be important therapies to improve health conditions when there is dysfunction in mitochondrial dynamics.

线粒体功能障碍是导致疾病发生的主要原因之一。线粒体功能障碍会限制能量的产生,增加活性氧的生成,并触发细胞凋亡信号。光生物调控是一种非侵入性、非热技术,涉及应用低能量密度的单色光,在细胞水平诱导非热光化学效应。本综述侧重于线粒体动力学在各种疾病中的作用,评估低功率激光(LPL)和发光二极管(LED)可能发挥的治疗作用。越来越多的研究表明,线粒体功能障碍与严重的神经退行性疾病有关,如帕金森氏症、亨廷顿氏症、阿尔茨海默氏症和夏科-玛丽-牙病。此外,丝裂蛋白活性紊乱还与代谢紊乱有关,包括肥胖和 2 型糖尿病。利用人体成纤维细胞系和脑损伤、糖尿病、脊髓损伤、阿尔茨海默病和皮肤损伤等体内模型,在细胞中观察到了 PBM 对线粒体动力学的影响。因此,旨在改善线粒体动力学的新疗法具有临床意义。多项研究表明,当线粒体动力学出现功能障碍时,LPL 和 LED 可以成为改善健康状况的重要疗法。
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引用次数: 0
Photobiomodulation of Na,K-ATPase in native membrane fraction and reconstituted in DPPC:DPPE-liposome. 原生膜部分和在 DPPC:DPPE 脂质体中重组的 Na,K-ATP 酶的光生物调节。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-01-01 Epub Date: 2024-06-24 DOI: 10.1111/php.13987
Gustavo Scanavachi, Juliana S Yoneda, Heitor G Sebinelli, Leandro R S Barbosa, Pietro Ciancaglini, Rosangela Itri

Studies focusing on how photobiomodulation (PBM) can affect the structure and function of proteins are scarce in the literature. Few previous studies have shown that the enzymatic activity of Na,K-ATPAse (NKA) can be photo-modulated. However, the variability of sample preparation and light irradiation wavelengths have not allowed for an unequivocal conclusion about the PBM of NKA. Here, we investigate minimal membrane models containing NKA, namely, native membrane fraction and DPPC:DPPE proteoliposome upon laser irradiation at wavelengths 532, 650, and 780 nm. Interestingly, we show that the PBM on the NKA enzymatic activity has a bell-shaped profile with a stimulation peak (~15% increase) at around 20 J.cm-2 and 6 J.cm-2 for the membrane-bound and the proteoliposome samples, respectively, and are practically wavelength independent. Further, by normalizing the enzymatic activity by the NKA enzyme concentration, we show that the PBM response is related to the protein amount with small influence due to protein's environment. The stimulation decays over time reaching the basal level around 6 h after the irradiation for the three lasers and both NKA samples. Our results demonstrate the potential of using low-level laser therapy to modulate NKA activity, which may have therapeutic implications and benefits.

关于光生物调制(PBM)如何影响蛋白质结构和功能的研究在文献中很少见。之前的一些研究表明,Na,K-AtPAse(NKA)的酶活性可被光调节。然而,由于样品制备和光照波长的不同,无法对 NKA 的 PBM 得出明确的结论。在此,我们研究了含有 NKA 的最小膜模型,即在波长为 532、650 和 780 纳米的激光照射下的原生膜部分和 DPPC:DPPE 蛋白脂质体。有趣的是,我们发现 PBM 对 NKA 酶活性的影响呈钟形分布,膜结合样品和蛋白脂质体样品的刺激峰值(约增加 15%)分别为 20 J.cm-2 和 6 J.cm-2 左右,且实际上与波长无关。此外,通过用 NKA 酶浓度对酶活性进行归一化处理,我们发现 PBM 响应与蛋白质量有关,而蛋白质环境的影响很小。对于三种激光和两种 NKA 样品,刺激作用都会随时间衰减,在照射后 6 小时左右达到基础水平。我们的研究结果证明了使用低强度激光治疗来调节 NKA 活性的潜力,这可能具有治疗意义和益处。
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引用次数: 0
Methods for assessing and removing non-specific photoimmunotherapy damage in patient-derived tumor cell culture models. 评估和消除源自患者的肿瘤细胞培养模型中的非特异性光免疫疗法损伤的方法。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-01-01 Epub Date: 2024-05-10 DOI: 10.1111/php.13957
Sudip Timilsina, Mohammad Ahsan Saad, Ryan T Lang, Tayyaba Hasan, Bryan Q Spring

Tumor-targeted, activatable photoimmunotherapy (taPIT) has been shown to selectively destroy tumor in a metastatic mouse model. However, the photoimmunoconjugate (PIC) used for taPIT includes a small fraction of non-covalently associated (free) benzoporphyrin derivative (BPD), which leads to non-specific killing in vitro. Here, we report a new treatment protocol for patient-derived primary tumor cell cultures ultrasensitive to BPD photodynamic therapy (BPD-PDT). Based on free BPD efflux dynamics, the updated in vitro taPIT protocol precludes non-specific BPD-PDT by silencing the effect of free BPD. Following incubation with PIC, incubating cells with PIC-free medium allows time for expulsion of free BPD whereas BPD covalently bound to PIC fragments is retained. Administration of the light dose after the intracellular free BPD drops below the threshold for inducing cell death helps to mitigate non-specific damage. In this study, we tested two primary ovarian tumor cell lines that are intrinsically chemoresistant, yet ultrasensitive to BPD-PDT such that small amounts of free BPD (a few percent of the total BPD dose) lead to potent induction of cell death upon irradiation. The modifications in the protocol suggested here improve in vitro taPIT experiments that lack in vivo mechanisms of free BPD clearance (i.e., lymph and blood flow).

肿瘤靶向可激活光免疫疗法(taPIT)已被证明能在转移性小鼠模型中选择性地摧毁肿瘤。然而,用于 taPIT 的光免疫结合剂(PIC)中含有一小部分非共价结合(游离)的苯并卟啉衍生物(BPD),这会导致体外非特异性杀伤。在此,我们报告了一种对 BPD 光动力疗法(BPD-PDT)超敏感的患者原代肿瘤细胞培养物的新治疗方案。基于游离 BPD 的外流动力学,更新后的体外 taPIT 方案通过抑制游离 BPD 的作用来排除非特异性 BPD-PDT。在与 PIC 培养后,用不含 PIC 的培养基培养细胞,使游离的 BPD 有时间排出体外,而与 PIC 片段共价结合的 BPD 则被保留下来。在细胞内游离的 BPD 降到诱导细胞死亡的阈值以下后再施用光剂量,有助于减轻非特异性损伤。在这项研究中,我们测试了两种原发性卵巢肿瘤细胞系,它们具有内在的化疗抗性,但对 BPD-PDT 超敏感,因此少量游离 BPD(占 BPD 总剂量的百分之几)就能在照射时有效诱导细胞死亡。本文建议对实验方案进行修改,以改进缺乏体内游离 BPD 清除机制(即淋巴和血液流动)的体外 taPIT 实验。
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引用次数: 0
Efficacy of photobiomodulation therapy on pain perception reduction associated with dental anesthetic infiltration injection: A systematic review and meta-analysis. 光生物调节疗法对减轻牙科麻醉剂浸润注射相关痛觉的疗效:系统回顾与荟萃分析。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-01-01 Epub Date: 2024-06-06 DOI: 10.1111/php.13977
Neda Hakimiha, Pantea Amiri, Fatemeh Sheibani, Zahra Razzaghi

Dental anesthetic injections, a common source of patient discomfort, often deter individuals from seeking dental care. Recently, there has been a growing focus on photobiomodulation therapy (PBMT) and its potential role in pain reduction. This systematic review explored the efficacy of PBMT in alleviating pain associated with dental anesthetic infiltration injections. A systematic literature search of different databases was performed up to December, 2023 using specific search strategy to find eligible studies that assessed the impact of PBMT on pain during local anesthesia injections. Data extraction was done based on the inclusion/exclusion criteria. A total of 13 studies, involving 972 patients were included. The studies employed various PBMT parameters, including wavelengths, and energy densities. Meta-analyses revealed a significant reduction in pain with PBMT compared to controls (MD = -0.90, 95% CI: -1.36 to -0.44, and p = 0.0001), with notable heterogeneity (I2 = 91.79%). Stratified analyses by age demonstrated consistent pain reduction in both adults (MD = -0.59, 95% CI: -1.11 to -0.08, and p < 0.0001) and children (MD = -0.59, 95% CI: -1.11 to -0.08, and p = 0.025). In conclusion, it seems that PBMT using infrared diode lasers can effectively reduce injection pain in both pediatric and adult populations. Further research should focus on optimizing PBMT parameters for enhanced pain management during dental procedures.

牙科麻醉注射是造成患者不适的常见原因之一,通常会阻碍患者寻求牙科治疗。最近,人们越来越关注光生物调节疗法(PBMT)及其在减轻疼痛方面的潜在作用。本系统性综述探讨了光生物调节疗法在减轻牙科麻醉浸润注射相关疼痛方面的疗效。截至 2023 年 12 月,我们使用特定的检索策略对不同的数据库进行了系统性文献检索,以找到符合条件的研究,这些研究评估了 PBMT 对局部麻醉注射过程中疼痛的影响。根据纳入/排除标准进行数据提取。共纳入 13 项研究,涉及 972 名患者。这些研究采用了不同的 PBMT 参数,包括波长和能量密度。元分析显示,与对照组相比,PBMT 能显著减轻疼痛(MD = -0.90,95% CI:-1.36 至 -0.44,p = 0.0001),但存在明显的异质性(I2 = 91.79%)。按年龄进行的分层分析表明,两种成人的疼痛均有一致的减轻(MD = -0.59,95% CI:-1.11 至 -0.08,p = 0.0001)。
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引用次数: 0
Photochemistry of N-aryl and N-alkyl dibenzothiophene sulfoximines. N- 芳基和 N- 烷基二苯并噻吩亚磺酰亚胺的光化学。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-01-01 Epub Date: 2024-06-24 DOI: 10.1111/php.13978
John C Throgmorton, Alexis J Iverson, Ryan D McCulla

N-phenyl dibenzothiophene sulfoximine has been demonstrated to produce phenyl nitrene and dibenzothiophene S-oxide upon irradiation with UV-A light, and dibenzothiophene S-oxide upon further irradiation releases triplet atomic oxygen. Thus, N-phenyl dibenzothiophene sulfoximine exhibits a rare dual-release capability in its photochemistry. In this work, N-substituted dibenzothiophene sulfoximine derivatives are irradiated with UV-A light to compare their photochemistry and quantum yield of dibenzothiophene S-oxide production with that of N-phenyl dibenzothiophene sulfoximine. Both N-aryl and N-alkyl derivatives of dibenzothiophene sulfoximine are examined to observe their effects on the quantum yield of the photolysis reaction. Adding electron withdrawing N-aryl substituents is shown to increase the quantum yield of dibenzothiophene S-oxide production, while adding electron donating N-aryl substituents is shown to decrease the quantum yield. The quantum yield was slightly lowered or not increased by most N-alkyl substituents. Furthermore, the quantum yield was not augmented by branching and steric hindrance effects associated with the N-alkyl substituents. These results suggest that electronic modulation of the sulfoximine bonds affects the observed photolysis reaction.

实验证明,N-苯基二苯并噻吩亚磺酰亚胺在紫外线-A 光照射下会产生苯基芘和二苯并噻吩 S-氧化物,而二苯并噻吩 S-氧化物在进一步照射下会释放出三重原子氧。因此,N-苯基二苯并噻吩亚磺酰亚胺在光化学中表现出罕见的双重释放能力。在这项研究中,N-取代的二苯并噻吩亚磺酰亚胺衍生物被紫外线-A 光照射,以比较它们与 N-苯基二苯并噻吩亚磺酰亚胺的光化学性质和产生二苯并噻吩 S-氧化物的量子产率。研究了二苯并噻吩亚磺酰亚胺的 N-芳基和 N-烷基衍生物,以观察它们对光解反应量子产率的影响。结果表明,加入取电子的 N-芳基取代基会提高二苯并噻吩 S-氧化物生成的量子产率,而加入供电子的 N-芳基取代基则会降低量子产率。大多数 N-烷基取代基都会轻微降低量子产率或不提高量子产率。此外,N-烷基取代基的分支效应和立体阻碍效应也不会提高量子产率。这些结果表明,亚磺酰亚胺键的电子调制影响了观察到的光解反应。
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引用次数: 0
Photodynamic therapy of cancer-associated infections. 癌症相关感染的光动力治疗。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-12-31 DOI: 10.1111/php.14038
Giulia Kassab, Juan Chen, Gang Zheng

Pathogens can be involved in tumor initiation, promotion, and progression through different mechanisms, and their treatment can prevent new cancer cases, improve outcomes, and revert poor-prognostic phenotypes. Photodynamic therapy (PDT) successfully treats different types of cancers and infections and, therefore, has a unique potential to address their combination. However, we believe this potential has been underutilized, and few researchers have investigated the impacts of PDT of both infection-related and cancer-related outcomes at once. This review presents the main agents behind cancer-associated infections (CAIs), the PDT protocols that have been tested on them, and their key findings. Additionally, we discuss the key aspects of PDT that make it ideal for CAI treatment, and what knowledge gaps need to be filled in order to make it successful.

病原体可以通过不同的机制参与肿瘤的发生、促进和进展,它们的治疗可以预防新的癌症病例,改善预后,并恢复预后不良的表型。光动力疗法(PDT)成功地治疗了不同类型的癌症和感染,因此,在解决它们的组合方面具有独特的潜力。然而,我们认为这种潜力尚未得到充分利用,很少有研究人员同时研究PDT对感染相关和癌症相关结果的影响。这篇综述介绍了癌症相关感染(CAIs)背后的主要因素,已经在它们身上测试的PDT方案,以及它们的主要发现。此外,我们讨论了PDT使其成为CAI治疗的理想选择的关键方面,以及为了使其成功,需要填补哪些知识空白。
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引用次数: 0
From femtoseconds to minutes: Spectroscopic study of optically induced thermal diffusion in aqueous solution of rhodamine B. 从飞秒到分:罗丹明B水溶液中光诱导热扩散的光谱研究。
IF 2.6 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-12-31 DOI: 10.1111/php.14042
René A Nome, Alexandre H Oliveira

Given that non-equilibrium molecular motion in thermal gradients is influenced by both solute and solvent, the application of spectroscopic methods that probe each component in a binary mixture can provide insights into the molecular mechanisms of thermal diffusion for a large class of systems. In the present work, we use an all-optical setup whereby near-infrared excitation of the solvent leads to a steady-state thermal gradient in solution, followed by characterization of the non-equilibrium system with electronic spectroscopy, imaging, and intensity. Using rhodamine B in water as a case study, we perform measurements as a function of solute concentration, temperature, wavelength, time, near-infrared laser power, visible excitation wavelength, and isotope effect. We find that spectroscopic excitation of solute and solvent as a function of temperature can be used to understand the thermal diffusion signal. Non-equilibrium molecular dynamics simulations and analysis of infrared spectra and heat diffusion, and stochastic dynamics simulations of the coupled Brownian/spectroscopic non-equilibrium dynamics. The stochastic/spectroscopic model shows how near-infrared excitation of the solvent influences lifetime dynamics on the picosecond timescale as well as Brownian dynamics in real time. Overall, the results presented here exemplify how spectroscopic probing of solute and solvent can be useful for understanding molecular mechanisms of optically induced thermal diffusion in aqueous solution of rhodamine B.

鉴于热梯度中的非平衡分子运动受到溶质和溶剂的影响,应用光谱方法探测二元混合物中的每个组分可以为一大类系统的热扩散分子机制提供见解。在目前的工作中,我们使用全光学装置,其中溶剂的近红外激发导致溶液中的稳态热梯度,然后用电子光谱,成像和强度表征非平衡系统。以水中的罗丹明B为例,我们测量了溶质浓度、温度、波长、时间、近红外激光功率、可见激发波长和同位素效应的函数。我们发现溶质和溶剂的光谱激发作为温度的函数可以用来理解热扩散信号。红外光谱和热扩散的非平衡分子动力学模拟与分析,以及布朗/光谱耦合非平衡动力学的随机动力学模拟。随机/光谱模型显示了溶剂的近红外激发如何实时影响皮秒时间尺度上的寿命动力学以及布朗动力学。总的来说,本文的结果说明了溶质和溶剂的光谱探测如何有助于理解罗丹明B水溶液中光诱导热扩散的分子机制。
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引用次数: 0
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Photochemistry and Photobiology
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