Microbial sunscreens for better life

药妆品干扰海洋生物的案例现在很普遍。这在很大程度上是由于越来越多的社会趋势暴露于来自阳光的紫外线辐射（UVR）。防晒霜提供紫外线保护;然而，这通常是有代价的，因为所需的防晒系数（SPF）是通过混合物中高浓度的UVR过滤剂来实现的。这可能导致严重的环境问题。例如，已知某些防晒霜会对海洋生物造成损害[1，2];事实上，由于珊瑚白化，夏威夷将禁止在防晒霜混合物中使用某些UVR过滤剂（例如氧苯酮）[3]。因此，关键是开发下一代更安全的防晒霜，以保护水生生物的质量。拟议的CENTA 2项目旨在回答首要问题：微生物（例如藻类，蓝细菌等）-基于UVR的过滤器进行化学改性，供人类使用，联合收割机结合的弹性，以UVR暴露，重要的是NERC的精神，是更安全的环境？沃里克大学（UoW）的三名研究人员横跨化学、生命科学和科学计算中心，沿着还有护肤行业的领先企业路博润，建议运用他们在实验和理论上的互补技能，培养一个非常有才华的早期职业研究人员，以面对多这个问题带来的挑战。拟议的方案提供了一个潜在的变革性贡献，海洋（和健康）护理至关重要，防晒科学领域。目前的CENTA 2是支持这项研究的理想平台，因为NERC研究领域之间的联系密切，包括：（1）污染，废物和资源（密切一致）;（2）海洋环境;和（3）环境微生物学，以及与CENTA 2的科学主题之一密切一致，即气候和环境可持续性。最后，本项目提供了一个与路博润护肤部门建立联系的理想机会，该部门由沃里克大学名誉教授、路博润全球护肤经理Laurent Blasco教授领导。方法论：理论和计算：稳态计算将使用TD-DFT [4，5]/CASPT 2 [6，7]来产生UVR过滤器的分子结构的细节，而动力学模拟将使用轨道表面跳跃方法和溶剂化模型来计算溶液/凝聚相中的光弛豫动力学。2生物合成：紫外线过滤器将涉及细菌的表达、纯化和表征。这些天然衍生系统的细菌生产将基于参考文献[8]和[9]中讨论的成熟程序。光谱学：瞬态吸收光谱学[10]将用于跟踪吸收UVR后这些分子中的能量流。这些技术对于使我们能够在10-15-10-3 s的时间窗口内构建能量流的分子电影至关重要。分析化学：最有前途的UVR过滤器将被转化为防晒混合物（UVR过滤器/保湿剂）并沉积在皮肤模型VITRO-SKIN上[11]。在UVR暴露后，用水冲洗混合物，并分析潜在光生/光毒性产物的含量

Cases of cosmeceuticals interfering with marine life are now widespread. This is largely due to increasing societal trends towards exposure to ultraviolet radiation (UVR) from sunlight. Sunscreens provide UVR-protection; however, this often comes at a cost as the desired sun protection factor (SPF) is achieved with high concentrations of UVR filters within a blend. This can lead to serious environmental issues. For example, some sunscreens are known to be damaging to marine life [1,2]; indeed Hawaii, will ban the use of certain UVR filters (e.g. oxybenzone) in sunscreen blends due to coral bleaching [3]. It is therefore key to develop next generation, safer sunscreens which preserve the quality of aquatic life.The proposed CENTA2 project seeks to answer the overarching question: Can microorganism (e.g. algae, cyanobacteria etc.)-based UVR filters be chemically modified for human use, that combine the resilience to UVR exposure and, importantly to the ethos of NERC, are much safer to the environment? Three researchers within the University of Warwick (UoW) spanning Chemistry, Life Sciences and Centre for Scientific Computing, along with Lubrizol, a leading skin-care industry, propose to apply their complementary skills in experiment and theory to train a highly talented early career researcher to confront the multi-facetted challenges imposed by this question.The proposed programme offers a potentially transformative contribution to the photophysically fascinating, and marine (and health)-care vital, field of sunscreen science. The present CENTA2 is an ideal platform to support this research, given the closely aligned links between NERC Research Areas including: (1) Pollution, Waste and Resources (closely aligned); (2) Marine Environments; and (3) Environmental Microbiology, as well as being intimately aligned with one of the Sciences Themes of CENTA2, that of Climate and Environmental Sustainability. Lastly, the present project provides an ideal opportunity to link with Lubrizol's division of Skin Care, led by Professor Laurent Blasco, Honorary Professor at the University of Warwick and Lubrizol's global skin care manager.Methodology:Theory and computation: steady-state calculations will employ TD-DFT [4,5]/CASPT2 [6,7] to yield details of molecular structure of UVR filters, while dynamics simulations will use trajectory surface hopping methods and solvation models to compute photorelaxation dynamics in solution/condensed- phases.Biosynthesis: The UVR filters will involve bacterial expression, purification and characterisation. Bacterial production of these nature-derived systems will be based on well established procedures as discussed in REFS [8] and [9].Spectroscopy: Transient absorption spectroscopy [10] will be used to track energy flow in these molecules following absorption of UVR. These techniques are crucial in enabling us to build molecular- movies of energy flow over the time window of 10-15-10-3 s.Analytical chemistry: The most promising UVR filters will be converted to a sunscreen blend (UVR-filter/moisturizer) and deposited on skin model VITRO-SKIN [11]. Following UVR exposure, the blend will be washed off in water and contents analysed for potential photogenerated/phototoxic products