많은 미생물들이 수용성 망간이온(Mn2+)을 불용성인 산화망간(Mn4+) 광물로 산화 침전시키는데, 이와 같은 생물학적 산화반응은 비생물학적 산화반응보다 훨씬 빠르게 일어난다. 이처럼 미생물에 의해 생성된 바이오 산화망간 광물은 표면의 강한 흡착성과 산화환원 반응을 통해 생지구화학 순환과 환경오염물질의 생물흡수도에 큰 역할을 한다. 본 논평은 양자역학의 밀도범함수 이론에 바탕을 둔 전산모사를 이용하여 산화망간 광물 표면의 독성금속 흡착의 자세한 기작과 망간원자 빈자리의 광화학적 역할을 새롭게 밝힌 최근 연구결과를 소개한다.

Buserties are known to have layer structures with variable C dimension which depended on the nature interlayer catious and contents of water molecular between edge-sharing [MnO6] octabedral layers. Na-, Ca-, Mg-, and Zn-buserties were synthesized in the laboratory and studied for to know the structural states of water molecules and the role of catious in the buserite structures. With lowering the relative humidity(RH), Ca-buserite begins to dehydrate at 27% RH and proceeds further very slowly. Mg- and Zn- buserite also slow dehydration above 2% RH. With gradual ineveasing temperature Ca- and Zn-buserite show abrupt shifting of 10a peak (10a-phare) toward 7a peak. All of 7a-phare are further dehydrated to 5a-phare by further increasing temperature. It suggests that interlayer catious play a crucial role in the dehydration behavious of buserites. Simulation of one-dimensional X-ray diffraction patterns of buserties show that buserites have three layers of water molecules of different types: the very loosely bound and tightly bend waters, instead of two layers that was regarded by previous authers. The very loosely bound water is sited I open space of the interlayer, the loosely bound water is bound on the tightly bound water by hydrogen bond, and the tightly bond water in coodinately bound on the interlayer catious.