@article{GuptaPathakShrivastav2022,
  author    = {Gupta, Banshi D. and Pathak, Anisha and Shrivastav, Anand},
  title     = {Optical Biomedical Diagnostics Using Lab-on-Fiber Technology},
  series = {Photonics : open access journal},
  volume    = {9},
  journal   = {Photonics : open access journal},
  number    = {2},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {2304-6732},
  doi       = {10.3390/photonics9020086},
  pages     = {40},
  year      = {2022},
  abstract  = {Point-of-care and in-vivo bio-diagnostic tools are the current need for the present critical scenarios in the healthcare industry. The past few decades have seen a surge in research activities related to solving the challenges associated with precise on-site bio-sensing. Cutting-edge fiber optic technology enables the interaction of light with functionalized fiber surfaces at remote locations to develop a novel, miniaturized and cost-effective lab on fiber technology for bio-sensing applications. The recent remarkable developments in the field of nanotechnology provide innumerable functionalization methodologies to develop selective bio-recognition elements for label free biosensors. These exceptional methods may be easily integrated with fiber surfaces to provide highly selective light-matter interaction depending on various transduction mechanisms. In the present review, an overview of optical fiber-based biosensors has been provided with focus on physical principles used, along with the functionalization protocols for the detection of various biological analytes to diagnose the disease. The design and performance of these biosensors in terms of operating range, selectivity, response time and limit of detection have been discussed. In the concluding remarks, the challenges associated with these biosensors and the improvement required to develop handheld devices to enable direct target detection have been highlighted.},
  language  = {en}
}
@phdthesis{MartinezGuajardo2024,
  author    = {Mart{\´i}nez Guajardo, Alejandro},
  title     = {New zwitterionic polymers for antifouling applications},
  doi       = {10.25932/publishup-62682},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-626820},
  school      = {Universit{\"a}t Potsdam},
  pages     = {XIX, 145},
  year      = {2024},
  abstract  = {The remarkable antifouling properties of zwitterionic polymers in controlled environments are often counteracted by their delicate mechanical stability. In order to improve the mechanical stabilities of zwitterionic hydrogels, the effect of increased crosslinker densities was thus explored. In a first approach, terpolymers of zwitterionic monomer 3-[N -2(methacryloyloxy)ethyl-N,N-dimethyl]ammonio propane-1-sulfonate (SPE), hydrophobic monomer butyl methacrylate (BMA), and photo-crosslinker 2-(4-benzoylphenoxy)ethyl methacrylate (BPEMA) were synthesized. Thin hydrogel coatings of the copolymers were then produced and photo-crosslinked. Studies of the swollen hydrogel films showed that not only the mechanical stability but also, unexpectedly, the antifouling properties were improved by the presence of hydrophobic BMA units in the terpolymers. Based on the positive results shown by the amphiphilic terpolymers and in order to further test the impact that hydrophobicity has on both the antifouling properties of zwitterionic hydrogels and on their mechanical stability, a new amphiphilic zwitterionic methacrylic monomer, 3-((2-(methacryloyloxy)hexyl)dimethylammonio)propane-1-sulfonate (M1), was synthesized in good yields in a multistep synthesis. Homopolymers of M1 were obtained by free-radical polymerization. Similarly, terpolymers of M1, zwitterionic monomer SPE, and photo-crosslinker BPEMA were synthesized by free-radical copolymerization and thoroughly characterized, including its solubilities in selected solvents. Also, a new family of vinyl amide zwitterionic monomomers, namely 3-(dimethyl(2-(N -vinylacetamido)ethyl)ammonio)propane-1-sulfonate (M2), 4-(dimethyl(2-(N-vinylacetamido)ethyl)ammonio)butane-1-sulfonate (M3), and 3-(dimethyl(2-(N-vinylacetamido)ethyl)ammonio)propyl sulfate (M4), together with the new photo-crosslinker 4-benzoyl-N-vinylbenzamide (M5) that is well-suited for copolymerization with vinylamides, are introduced within the scope of the present work. The monomers are synthesized with good yields developing a multistep synthesis. Homopolymers of the new vinyl amide zwitterionic monomers are obtained by free-radical polymerization and thoroughly characterized. From the solubility tests, it is remarkable that the homopolymers produced are fully soluble in water, evidence of their high hydrophilicity. Copolymerization of the vinyl amide zwitterionic monomers, M2, M3, and M4 with the vinyl amide photo-crosslinker M5 proved to require very specific polymerization conditions. Nevertheless, copolymers were successfully obtained by free-radical copolymerization under appropriate conditions. Moreover, in an attempt to mitigate the intrinsic hydrophobicity introduced in the copolymers by the photo-crosslinkers, and based on the proven affinity of quaternized diallylamines to copolymerize with vinyl amides, a new quaternized diallylamine sulfobetaine photo-crosslinker 3-(diallyl(2-(4-benzoylphenoxy)ethyl)ammonio)propane-1-sulfonate (M6) is synthesized. However, despite a priori promising copolymerization suitability, copolymerization with the vinyl amide zwitterionic monomers could not be achieved.},
  language  = {en}
}
@phdthesis{Kemper2023,
  author    = {Kemper, Tarek},
  title     = {KLIMAGRAR - Neue Methoden der Begleitforschung am Beispiel des klimagerechten Handelns in der Landwirtschaft},
  doi       = {10.25932/publishup-60192},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-601924},
  school      = {Universit{\"a}t Potsdam},
  pages     = {109},
  year      = {2023},
  abstract  = {In Forschungsprogrammen werden zahlreiche Akteure mit unterschiedlichen Hintergr{\"u}nden und fachlichen Expertisen in Einzel- oder Verbundvorhaben vereint, die jedoch weitestgehend unabh{\"a}ngig voneinander durchgef{\"u}hrt werden. Vor dem Hintergrund, dass gesamtgesellschaftliche Herausforderungen wie die globale Erw{\"a}rmung zunehmend disziplin{\"u}bergreifende L{\"o}sungsans{\"a}tze erfordern, sollten Vernetzungs- und Transferprozesse in Forschungsprogrammen st{\"a}rker in den Fokus r{\"u}cken. Mit der Implementierung einer Begleitforschung kann dieser Forderung Rechnung getragen werden. Begleitforschung unterscheidet sich in ihrer Herangehensweise und ihrer Zielvorstellung von den „{\"u}blichen" Projekten und kann in unterschiedlichen theoretischen Reinformen auftreten. Verk{\"u}rzt dargestellt agiert sie entweder (1) inhaltlich komplement{\"a}r zu den jeweiligen Forschungsprojekten, (2) auf einer Metaebene mit Fokus auf die Prozesse im Forschungsprogramm oder (3) als integrierende, synthetisierende Instanz, f{\"u}r die die Vernetzung der Projekte im Forschungsprogramm sowie der Wissenstransfer von Bedeutung sind. Zwar sind diese Formen analytisch in theoretische Reinformen trennbar, in der Praxis ergibt sich in der Regel jedoch ein Mix aus allen dreien. In diesem Zusammenhang schließt die vorliegende Dissertation als erg{\"a}nzende Studie an bisherige Ans{\"a}tze zum methodischen Handwerkszeug der Begleitforschung an und fokussiert auf folgende Fragestellungen: Auf welcher Basis kann die Vernetzung der Akteure in einem Forschungsprogramm durchgef{\"u}hrt werden, um diese effektiv zusammenzubringen? Welche weiteren methodischen Elemente sollten daran ansetzen, um einen Mehrwert zu generieren, der die Summe der Einzelergebnisse des Forschungsprogrammes {\"u}bersteigt? Von welcher Art kann dann ein solcher Mehrwert sein und welche Rolle spielt dabei die Begleitforschung? Das erste methodische Element bildet die Erhebung und Aufbereitung einer Ausgangsdatenbasis. Durch eine auf semantischer Analyse basierenden Verschlagwortung projektbezogener Texte l{\"a}sst sich eine umfassende Datenbasis aus den Inhalten der Forschungsprojekte generieren. Die Schlagw{\"o}rter werden dabei anhand eines kontrollierten Vokabulars in einem Schlagwortkatalog strukturiert. Parallel dazu werden sie wiederum den jeweiligen Projekten zugeordnet, wodurch diese thematische Merkmale erhalten. Um thematische {\"U}berschneidungen zwischen Forschungsprojekten sichtbar und interpretierbar zu machen, beinhaltet das zweite Element Ans{\"a}tze zur Visualisierung. Dazu werden die Informationen in einen Netzwerkgraphen transferiert, der sowohl alle im Forschungsprogramm involvierten Projekte als auch die identifizierten Schlagw{\"o}rter in Relation zueinander abbilden kann. So kann zum Beispiel sichtbar gemacht werden, welche Forschungsprojekte sich auf Basis ihrer Inhalte „n{\"a}her" sind als andere. Genau diese Information wird im dritten methodischen Element als Planungsgrundlage f{\"u}r unterschiedliche Veranstaltungsformate wie Arbeitstagungen oder Transferwerkst{\"a}tten genutzt. Das vierte methodische Element umfasst die Synthesebildung. Diese gestaltet sich als Prozess {\"u}ber den gesamten Zeitraum der Zusammenarbeit zwischen Begleitforschung und den weiteren Forschungsprojekten hinweg, da in die Synthese unter anderem Zwischen-, Teil- und Endergebnisse der Projekte einfließen, genauso wie Inhalte aus den unterschiedlichen Veranstaltungen. Letztendlich ist dieses vierte Element auch das Mittel, um aus den integrierten und synthetisierten Informationen Handlungsempfehlungen f{\"u}r zuk{\"u}nftige Vorhaben abzuleiten. Die Erarbeitung der methodischen Elemente erfolgte im laufenden Prozess des Begleitforschungsprojektes KlimAgrar, welches der vorliegenden Dissertation als Fallbeispiel dient und dessen Hintergr{\"u}nde in der Thematik Klimaschutz und Klimaanpassung in der Landwirtschaft im Text ausf{\"u}hrlich erl{\"a}utert werden.},
  language  = {de}
}
@phdthesis{Voroshnin2023,
  author    = {Voroshnin, Vladimir},
  title     = {Control over spin and electronic structure of MoS₂ monolayer via interactions with substrates},
  doi       = {10.25932/publishup-59070},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-590709},
  school      = {Universit{\"a}t Potsdam},
  pages     = {viii, 125},
  year      = {2023},
  abstract  = {The molybdenum disulfide (MoS2) monolayer is a semiconductor with a direct bandgap while it is a robust and affordable material. It is a candidate for applications in optoelectronics and field-effect transistors. MoS2 features a strong spin-orbit coupling which makes its spin structure promising for acquiring the Kane-Mele topological concept with corresponding applications in spintronics and valleytronics. From the optical point of view, the MoS2 monolayer features two valleys in the regions of K and K' points. These valleys are differentiated by opposite spins and a related valley-selective circular dichroism. In this study we aim to manipulate the MoS2 monolayer spin structure in the vicinity of the K and K' points to explore the possibility of getting control over the optical and electronic properties. We focus on two different substrates to demonstrate two distinct routes: a gold substrate to introduce a Rashba effect and a graphene/cobalt substrate to introduce a magnetic proximity effect in MoS2. The Rashba effect is proportional to the out-of-plane projection of the electric field gradient. Such a strong change of the electric field occurs at the surfaces of a high atomic number materials and effectively influence conduction electrons as an in-plane magnetic field. A molybdenum and a sulfur are relatively light atoms, thus, similar to many other 2D materials, intrinsic Rashba effect in MoS2 monolayer is vanishing small. However, proximity of a high atomic number substrate may enhance Rashba effect in a 2D material as it was demonstrated for graphene previously. Another way to modify the spin structure is to apply an external magnetic field of high magnitude (several Tesla), and cause a Zeeman splitting, the conduction electrons. However, a similar effect can be reached via magnetic proximity which allows us to reduce external magnetic fields significantly or even to zero. The graphene on cobalt interface is ferromagnetic and stable for MoS2 monolayer synthesis. Cobalt is not the strongest magnet; therefore, stronger magnets may lead to more significant results. Nowadays most experimental studies on the dichalcogenides (MoS2 included) are performed on encapsulated heterostructures that are produced by mechanical exfoliation. While mechanical exfoliation (or scotch-tape method) allows to produce a huge variety of structures, the shape and the size of the samples as well as distance between layers in heterostructures are impossible to control reproducibly. In our study we used molecular beam epitaxy (MBE) methods to synthesise both MoS2/Au(111) and MoS2/graphene/Co systems. We chose to use MBE, as it is a scalable and reproducible approach, so later industry may adapt it and take over. We used graphene/cobalt instead of just a cobalt substrate because direct contact of MoS2\ monolayer and a metallic substrate may lead to photoluminescence (PL) quenching in the metallic substrate. Graphene and hexagonal boron nitride monolayer are considered building blocks of a new generation of electronics also commonly used as encapsulating materials for PL studies. Moreover graphene is proved to be a suitable substrate for the MBE growth of transitional metal dichalcogenides (TMDCs). In chapter 1, we start with an introduction to TMDCs. Then we focus on MoS2 monolayer state of the art research in the fields of application scenario; synthesis approaches; electronic, spin, and optical properties; and interactions with magnetic fields and magnetic materials. We briefly touch the basics of magnetism in solids and move on to discuss various magnetic exchange interactions and magnetic proximity effect. Then we describe MoS2 optical properties in more detail. We start from basic exciton physics and its manifestation in the MoS2 monolayer. We consider optical selection rules in the MoS2 monolayer and such properties as chirality, spin-valley locking, and coexistence of bright and dark excitons. Chapter 2 contains an overview of the employed surface science methods: angle-integrated, angle-resolved, and spin-resolved photoemission; low energy electron diffraction and scanning tunneling microscopy. In chapter 3, we describe MoS2 monolayer synthesis details for two substrates: gold monocrystal with (111) surface and graphene on cobalt thin film with Co(111) surface orientation. The synthesis descriptions are followed by a detailed characterisation of the obtained structures: fingerprints of MoS2 monolayer formation; MoS2 monolayer symmetry and its relation to the substrate below; characterisation of MoS2 monolayer coverage, domain distribution, sizes and shapes, and moire structures. In chapter~4, we start our discussion with MoS2/Au(111) electronic and spin structure. Combining density functional theory computations (DFT) and spin-resolved photoemission studies, we demonstrate that the MoS2 monolayer band structure features an in-plane Rashba spin splitting. This confirms the possibility of MoS2 monolayer spin structure manipulation via a substrate. Then we investigate the influence of a magnetic proximity in the MoS2/graphene/Co system on the MoS2 monolayer spin structure. We focus our investigation on MoS2 high symmetry points: G and K. First, using spin-resolved measurements, we confirm that electronic states are spin-split at the G point via a magnetic proximity effect. Second, combining spin-resolved measurements and DFT computations for MoS2 monolayer in the K point region, we demonstrate the appearance of a small in-plane spin polarisation in the valence band top and predict a full in-plane spin polarisation for the conduction band bottom. We move forward discussing how these findings are related to the MoS2 monolayer optical properties, in particular the possibility of dark exciton observation. Additionally, we speculate on the control of the MoS2 valley energy via magnetic proximity from cobalt. As graphene is spatially buffering the MoS2 monolayer from the Co thin film, we speculate on the role of graphene in the magnetic proximity transfer by replacing graphene with vacuum and other 2D materials in our computations. We finish our discussion by investigating the K-doped MoS2/graphene/Co system and the influence of this doping on the electronic and spin structure as well as on the magnetic proximity effect. In summary, using a scalable MBE approach we synthesised MoS2/Au(111) and MoS2/graphene/Co systems. We found a Rashba effect taking place in MoS2/Au(111) which proves that the MoS2 monolayer in-plane spin structure can be modified. In MoS2/graphene/Co the in-plane magnetic proximity effect indeed takes place which rises the possibility of fine tuning the MoS2 optical properties via manipulation of the the substrate magnetisation.},
  language  = {en}
}
@article{JiangTaoStolterfohtetal.2020,
  author    = {Jiang, Wei and Tao, Chen and Stolterfoht, Martin and Jin, Hui and Stephen, Meera and Lin, Qianqian and Nagiri, Ravi C. R. and Burn, Paul L. and Gentle, Ian R.},
  title     = {Hole-transporting materials for low donor content organic solar cells},
  series = {Organic electronics : physics, materials and applications},
  volume    = {76},
  journal   = {Organic electronics : physics, materials and applications},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {1566-1199},
  doi       = {10.1016/j.orgel.2019.105480},
  pages     = {7},
  year      = {2020},
  abstract  = {Low donor content solar cells are an intriguing class of photovoltaic device about which there is still considerable discussion with respect to their mode of operation. We have synthesized a series of triphenylamine-based materials for use in low donor content devices with the electron accepting [6,6]-phenyl-C71-butyric acid methyl ester (PC(7)0BM). The triphenylamine-based materials absorb light in the near UV enabling the PC(7)0BM to be be the main light absorbing organic semiconducting material in the solar cell. It was found that the devices did not operate as classical Schottky junctions but rather photocurrent was generated by hole transfer from the photo-excited PC(7)0BM to the triphenylamine-based donors. We found that replacing the methoxy surface groups with methyl groups on the donor material led to a decrease in hole mobility for the neat films, which was due to the methyl substituted materials having the propensity to aggregate. The thermodynamic drive to aggregate was advantageous for the performance of the low donor content (6 wt\%) films. It was found that the 6 wt\% donor devices generally gave higher performance than devices containing 50 wt\% of the donor.},
  language  = {en}
}
@article{TschierschBanerjiRemus2021,
  author    = {Tschiersch, Anja and Banerji, Amitabh and Remus, Ludger},
  title     = {Thymolblau - schulische Synthese \& AR-gest{\"u}tzte Lernmaterialien},
  series = {Chemie konkret : CHEMKON ; Forum f{\"u}r Unterricht und Didaktik},
  volume    = {28},
  journal   = {Chemie konkret : CHEMKON ; Forum f{\"u}r Unterricht und Didaktik},
  number    = {6},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0944-5846},
  doi       = {10.1002/ckon.202100011},
  pages     = {266 -- 269},
  year      = {2021},
  abstract  = {This article presents the synthesis of thymol blue as a student experiment together with suitable augmented reality (AR) learning materials. In addition, the theoretical background on the synthesis of thymol blue and its pH-dependent structure-property relationship is discussed with regards to recent findings. Furthermore, experiences with the experiment in school and university lab-trainings as well as in teacher trainings are reported.},
  language  = {de}
}
@phdthesis{Kwesiga2022,
  author    = {Kwesiga, George},
  title     = {Synthesis of isoflavonoids from African medicinal plants with activity against tropical infectious diseases},
  doi       = {10.25932/publishup-55906},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-559069},
  school      = {Universit{\"a}t Potsdam},
  pages     = {xxi, 175},
  year      = {2022},
  abstract  = {Two approaches for the synthesis of prenylated isoflavones were explored: the 2,3-oxidative rearrangement/cross metathesis approach, using hypervalent iodine reagents as oxidants and the Suzuki-Miyaura cross-coupling/cross metathesis approach. Three natural prenylated isoflavones: 5-deoxy-3′-prenylbiochanin A (59), erysubin F (61) and 7-methoxyebenosin (64), and non-natural analogues: 7,4′-dimethoxy-8,3′-diprenylisoflavone (126j) and 4′-hydroxy-7-methoxy-8,3′-diprenylisoflavone (128) were synthesized for the first time via the 2,3-oxidative rearrangement/cross metathesis approach, using mono- or diallylated flavanones as key intermediates. The reaction of flavanones with hypervalent iodine reagents afforded isoflavones via a 2,3-oxidative rearrangement and the corresponding flavone isomers via a 2,3-dehydrogenation. This afforded the synthesis of 7,4′-dimethoxy-8-prenylflavone (127g), 7,4′-dimethoxy-8,3′-diprenylflavone (127j), 7,4′-dihydroxy-8,3′-diprenylflavone (129) and 4′-hydroxy-7-methoxy-8,3′-diprenylflavone (130), the non-natural regioisomers of 7-methoxyebenosin, 126j, erysubin F and 128 respectively. Three natural prenylated isoflavones: 3′-prenylbiochanin A (58), neobavaisoflavone (66) and 7-methoxyneobavaisoflavone (137) were synthesized for the first time using the Suzuki-Miyaura cross-coupling/cross metathesis approach. The structures of 3′-prenylbiochanin A (58) and 5-deoxy-3′-prenylbiochanin A (59) were confirmed by single crystal X-ray diffraction analysis. The 2,3-oxidative rearrangement approach appears to be limited to the substitution pattern on both rings A and B of the flavanone while the Suzuki-Miyaura cross-coupling approach appears to be the most suitable for the synthesis of simple isoflavones or prenylated isoflavones whose prenyl substituents or allyl groups, the substituents that are essential precursors for the prenyl side chains, can be regioselectively introduced after the construction of the isoflavone core. The chalcone-flavanone hybrids 146, 147 and 148, hybrids of the naturally occurring bioactive flavanones liquiritigenin-7-methyl ether, liquiritigenin and liquiritigenin-4′-methyl ether respectively were also synthesized for the first time, using Matsuda-Heck arylation and allylic/benzylic oxidation as key steps. The intermolecular interactions of 5-deoxy-3′-prenylbiochanin A (59) and its two closely related precursors 106a and 106b was investigated by single crystal and Hirshfeld surface analyses to comprehend their different physicochemical properties. The results indicate that the presence of strong intermolecular O-H···O hydrogen bonds and an increase in the number of π-stacking interactions increases the melting point and lowers the solubility of isoflavone derivatives. However, the strong intermolecular O-H···O hydrogen bonds have a greater effect than the π-stacking interactions. 5-Deoxy-3′-prenylbiochanin A (59), erysubin F (61) and 7,4′-dihydroxy-8,3′-diprenylflavone (129), were tested against three bacterial strains and one fungal pathogen. All the three compounds were inactive against Salmonella enterica subsp. enterica (NCTC 13349), Escherichia coli (ATCC 25922), and Candida albicans (ATCC 90028), with MIC values greater than 80.0 μM. The diprenylated isoflavone erysubin F (61) and its flavone isomer 129 showed in vitro activity against methicillin-resistant Staphylococcus aureus (MRSA, ATCC 43300) at MIC values of 15.4 and 20.5 μM, respectively. 5-Deoxy-3′-prenylbiochanin A (59) was inactive against this MRSA strain. Erysubin F (61) and its flavone isomer 129 could serve as lead compounds for the development of new alternative drugs for the treatment of MRSA infections.},
  language  = {en}
}
@phdthesis{Lood2021,
  author    = {Lood, Kajsa},
  title     = {Stereoselective Construction of C-C Double Bonds via Olefin Metathesis: From Tethered Reactions to Water-Soluble Catalysts for Stereoretentive Metathesis},
  doi       = {10.25932/publishup-53914},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-539142},
  school      = {Universit{\"a}t Potsdam},
  pages     = {95},
  year      = {2021},
  abstract  = {Natural products have proved to be a major resource in the discovery and development of many pharmaceuticals that are in use today. There is a wide variety of biologically active natural products that contain conjugated polyenes or benzofuran structures. Therefore, new synthetic methods for the construction of such building blocks are of great interest to synthetic chemists. The recently developed one-pot tethered ring-closing metathesis approach allows for the formation of Z,E-dienoates in high stereoselectivity. The extension of this method with a Julia-Kocienski olefination protocol would allow for the formation of conjugated trienes in a stereoselective manner. This strategy was applied in the total synthesis of conjugated triene containing (+)-bretonin B. Additionally, investigations of cross metathesis using methyl substituted olefins were pursued. This methodology was applied, as a one-pot cross metathesis/ring-closing metathesis sequence, in the total synthesis of benzofuran containing 7-methoxywutaifuranal. Finally, the design and synthesis of a catalyst for stereoretentive metathesis in aqueous media was investigated.},
  language  = {en}
}
@article{WunderKutzschbachHosseetal.2018,
  author    = {Wunder, Bernd and Kutzschbach, Martin and Hosse, Luisa and Wilke, Franziska Daniela Helena and Schertl, Hans-Peter and Chopin, Christian},
  title     = {Synthetic B-[4]-bearing dumortierite and natural B-[4]-free magnesiodumortierite from the Dora-Maira Massif},
  series = {European journal of mineralogy},
  volume    = {30},
  journal   = {European journal of mineralogy},
  number    = {3},
  publisher = {Schweizerbart},
  address   = {Stuttgart},
  issn      = {0935-1221},
  doi       = {10.1127/ejm/2018/0030-2742},
  pages     = {471 -- 483},
  year      = {2018},
  abstract  = {Dumortierite was synthesized in piston-cylinder experiments at 2.5-4.0 GPa, 650-700 degrees C in the Al2O3 -B2O3-SiO2-H2O (ABSH) system. Electron-microprobe (EMP) analyses reveal significant boron-excess (up to 0.26 B-[4] per formula unit, pfu) and silicon-deficiency relative to the ideal anhydrous dumortierite stoichiometry Al7BSi3O18 . The EMP data in conjunction with results from single-crystal Raman spectroscopy and powder X-ray diffraction provide evidence that silicon at the tetrahedral site is replaced by excess boron via the substitution Si-[4] <--> B-[4] + H. The Raman spectrum of synthetic dumortierite in the frequency region 2000 4000 cm(-1) comprises eight bands, of which six are located at frequencies below 3400 cm(-1). This points to strong hydrogen bonding, most likely O2-H center dot center dot center dot O7 and O7-H center dot center dot center dot O2, arising from a high number of octahedral vacancies at the All site and substitution of trivalent Al3+ and B3+ for Si4+ at Si1 and Si2 sites, causing decreasing acceptor-donor distances and lower incident valence at the acceptor oxygen. Contrary to the synthetic high-pressure ABSH-dumortierite, magnesiodumortierite from the Dora-Maira Massif, which is assumed to have formed at similar conditions (2.5-3.0 GPa, 700 degrees C), does not show any B-excess. Tourmaline shows an analogous behaviour in that magnesium-rich (e.g., dravitic) tourmaline formed at high pressure shows no or only minor amounts of tetrahedral boron, whereas natural aluminum-rich tourmaline and synthetic olenitic tourmaline formed at high pressures can incorporate significant amounts of tetrahedral boron. Two mechanisms might account for this discrepancy: (i) Structural avoidance of Mg-[6]-(OR3+)-R-[4] configurations in magnesiodumortierite due to charge deficieny at the oxygens O2 and O7 and strong local distortion of M1 due to decreased O2-O7 bond length, and/or (ii) decreasing fluid mobility of boron in Al-rich systems at high pressures.},
  language  = {en}
}
@misc{RyoJeschkeRilligetal.2020,
  author    = {Ryo, Masahiro and Jeschke, Jonathan M. and Rillig, Matthias C. and Heger, Tina},
  title     = {Machine learning with the hierarchy-of-hypotheses (HoH) approach discovers novel pattern in studies on biological invasions},
  series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  number    = {1171},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-51764},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-517643},
  pages     = {66 -- 73},
  year      = {2020},
  abstract  = {Research synthesis on simple yet general hypotheses and ideas is challenging in scientific disciplines studying highly context-dependent systems such as medical, social, and biological sciences. This study shows that machine learning, equation-free statistical modeling of artificial intelligence, is a promising synthesis tool for discovering novel patterns and the source of controversy in a general hypothesis. We apply a decision tree algorithm, assuming that evidence from various contexts can be adequately integrated in a hierarchically nested structure. As a case study, we analyzed 163 articles that studied a prominent hypothesis in invasion biology, the enemy release hypothesis. We explored if any of the nine attributes that classify each study can differentiate conclusions as classification problem. Results corroborated that machine learning can be useful for research synthesis, as the algorithm could detect patterns that had been already focused in previous narrative reviews. Compared with the previous synthesis study that assessed the same evidence collection based on experts' judgement, the algorithm has newly proposed that the studies focusing on Asian regions mostly supported the hypothesis, suggesting that more detailed investigations in these regions can enhance our understanding of the hypothesis. We suggest that machine learning algorithms can be a promising synthesis tool especially where studies (a) reformulate a general hypothesis from different perspectives, (b) use different methods or variables, or (c) report insufficient information for conducting meta-analyses.},
  language  = {en}
}