Water Bands Research Articles

Spectral Indices of Vegetation Condition and Soil Water Content Reflect Controls on CH4 and CO2 Exchange in Sphagnum‐Dominated Northern Peatlands

AbstractNorthern peatlands play an important role in the global C cycle due to their large C stocks and high potential methane (CH4) emissions. The CH4 and CO2 cycles of these systems are closely linked to hydrology, with water table level regulating the balance of oxic and anoxic conditions and the water content of Sphagnum mosses that dominate primary production. Previous work has demonstrated that hyperspectral indices well‐suited to the detection of altered hydrology in Sphagnum peatlands are also highly correlated with GPP. However, little work has been done to extend these findings to CH4 effluxes. In this study, we evaluate the utility of four hyperspectral indices, two reflecting vegetation photosynthetic function (chlorophyll index (CI); normalized difference vegetation index) and two reflecting water content (wetness index (WI); floating water band index), for detecting effects of altered water table, precipitation, and vegetation community on CH4 and CO2 exchange in two peatland mesocosm studies. We found that CI is a good predictor of net CO2 exchange, and that it captured both drought and vegetation effects consistently across a broad range of vegetation treatments. Further, we demonstrate for the first time that WI combined with CI explained a significant percentage of CH4 efflux (R2 = 0.32–0.57). Our results indicate that CI and WI together may be effective tools for detecting effects of altered hydrology and vegetation on northern Sphagnum‐peatland CH4 and CO2 emissions, with implications for detecting and modeling changes in emissions of greenhouse gases at scales ranging from the ecosystem to the Earth system.

Concentration Quantification of the Low-Complexity Domain of Fused in Sarcoma inside a Single Droplet and Effects of Solution Parameters.

Liquid-liquid phase separation (LLPS) is an important phenomenon in biology, and it is desirable to develop quantitative methods to analyze protein droplets generated by LLPS. This study quantified the change in protein concentration in a droplet in label-free and single-droplet conditions using Raman imaging and the Raman band of water as an intensity standard. Small changes in the protein concentration with variations in pH and salt concentration were observed, and it was shown that the concentration in the droplet decreases as the conditions become less favorable for droplet formation. The effect of exposure to 1,6-hexanediol was also examined, and this additive was found to decrease the protein concentration in the droplet. A model can be proposed in which the addition of 1,6-hexanediol reduces the protein concentration in the droplet, and the droplet disappears when the concentration falls below a certain threshold value.

Prediction of water relaxation time using near infrared spectroscopy

AbstractMolecular rotational relaxation time of water is believed to be an important parameter to evaluate the deterioration rate of biomaterial. In this work, we proposed and verified a method of using Fourier‐transform near infrared spectroscopy, which has advantages of non‐invasion, low‐cost, high spatial resolution as well as being time efficient, to predict the relaxation time of water in biomaterial. The Langevin equation of rotational Brownian motion of water dipole with double‐fold cosine potential barrier, solution of which gives the relaxation time as a function of potential barrier height, was applied to water–saccharide systems. We assumed that this potential barrier height is comparable to the increase of hydrogen bond strength of water in saccharide solution. The hydrogen bond strength values of pure water and saccharide solutions were calculated from the measured NIR absorbance band of water at 4500 –5500 cm−1. The relaxation times yielded by this method are in good agreement with those measured by dielectric spectroscopy.Practical ApplicationsWater plays important role in the investigation of long‐term preservation of biomaterials, since it is the medium of many chemical reactions which eventually lead to the deterioration. In principle, both cryopreservation and dry‐preservation involve the reduction of the mobility of water molecules to reduce chemical reaction rates. The rotational relaxation time as an indicator of molecular mobility of water was proved directly related to the protein deterioration rate. Compared with conventional methods of measuring water relaxation time such as dielectric spectroscopy or magnetic resonance, FT‐IR system has many advantages: low cost, non‐invasion, time efficient, and can provide spatial resolution up to μm level with infrared microscope. Therefore, our method may provide convenience to monitor crop growth and evaluate the quality of food in storage.

Infrared Spectra and Hydrogen-Bond Configurations of Water Molecules at the Interface of Water-Insoluble Polymers under Humidified Conditions.

Elucidating the state of interfacial water, especially the hydrogen-bond configurations, is considered to be key for a better understanding of the functions of polymers that are exhibited in the presence of water. Here, an analysis in this direction is conducted for two water-insoluble biocompatible polymers, poly(2-methoxyethyl acrylate) and cyclic(poly(2-methoxyethyl acrylate)), and a non-biocompatible polymer, poly(n-butyl acrylate), by measuring their IR spectra under humidified conditions and by carrying out theoretical calculations on model complex systems. It is found that the OH stretching bands of water are decomposed into four components, and while the higher-frequency components (with peaks at ∼3610 and ∼3540 cm–1) behave in parallel with the C=O and C–O–C stretching and CH deformation bands of the polymers, the lower-frequency components (with peaks at ∼3430 and ∼3260 cm–1) become pronounced to a greater extent with increasing humidity. From the theoretical calculations, it is shown that the OH stretching frequency that is distributed from ∼3650 to ∼3200 cm–1 is correlated to the hydrogen-bond configurations and is mainly controlled by the electric field that is sensed by the vibrating H atom. By combining these observed and calculated results, the configurations of water at the interface of the polymers are discussed.

A water invasion unit numerical simulation model for the distribution of water and water invasion channel in complex edge water reservoir

In order to accurately and intuitively characterize the distribution of water and water invasion channel in complex edge water reservoir, a water invasion unit numerical simulation model (WINS) that can simulate complex edge water invasion dynamics is established, based on well geological data and production data. The model discretizes the edge water into water unit connected to the production well unit, and discretizes the locations with clear geological understanding into dense unit. The more dense units, the more accurate the water invasion dynamics. Based on the water unit, production well unit, dense unit, the material balance method is used to calculate the pressure of each unit, the water flooding front propulsion equation is used to calculate the saturation and water cut of each unit, and the genetic algorithm is combined to modify characteristic parameters of the water unit and the water invasion channel, fit automatically production data, realize the re-identification of water distribution and water invasion channel. Different edge water and high-permeability bands are constructed through numerical simulator, and the simulated production results are substituted into the model to automatically fit. The results show that the edge water distribution and water invasion dominant channel inversely performed by WINS are consistent with the results constructed by the numerical simulator. Compared with the process of constructing edge water at the reservoir by Eclipse numerical simulator, WINS saves the tedious steps of building a model, and its calculation efficiency is higher. Not only that, WINS can intelligently and automatically fit parameters, reducing errors caused by human interference.

Application of an innovative narrow band vegetation index to corn leaves to explore the characteristics of corn spectra under Cu2+ stress

ABSTRACT In this study, an innovative narrow band vegetation index (INBVI) was proposed to explore the sensitive regions of corn leaves spectra under copper stress. In 2016, the spectra and Cu2+ contents of corn leaves under different copper stress concentrations were measured by designing corn stress experiments with different copper gradients. Firstly, we divided the spectra of corn leaves into 11 subintervals, and chose the spectral reflectance which corresponded to the middle wavelength of each subinterval to build INBVI. Then, the Pearson correlation coefficient (r) and Root Mean Square Error (RMSE) were calculated, and we analysed correlation of the INBVI and Cu2+ contents in corn leaves. What’s more, we compared it with the three conventional vegetation indexes of Water Band Index (WBI), Modified Chlorophyll Absorption Ratio Index (MCARI) and Normalized Difference Water Index (NDWI). Finally, the spectra of corn leaves obtained under the same experimental conditions in other year were used to verify the stability and effectiveness of INBVI. The results showed that the four subintervals of Green peak, Red edge, Near valley and Near peak A were sensitive intervals, because the absolute value of r exceeded .9, and the RMSE values were lower than other subintervals and the three conventional vegetation indexes. We verified the above results and found the sensitive intervals were Green peak, Red edge, Near valley and Near peak A, which were consistent with the sensitive subintervals obtained from the experiment data in 2016, and confirmed the effectiveness and stability of INBVI. The INBVI proposed in this paper can be used as a method to monitor copper pollution in corn leaves, and provide some theoretical support for the research of heavy metal pollution in other crops.

Intermolecular Coulombic Decay in Liquid Water.

We report the first observation of intermolecular Coulombic decay (ICD) in liquid water following inner-valence ionization. By combining a monochromatized tabletop high-harmonic source with a liquid microjet, we record electron-electron coincidence spectra at two photon energies that identify the ICD electrons, together with the photoelectrons originating from the 2a_{1} inner-valence band of liquid water. Our results confirm the importance of ICD as a source of low-energy electrons in bulk liquid water and provide quantitative results for modeling the velocity distribution of the slow electrons that are thought to dominate radiation damage in aqueous environments.

Water Clusters in Interaction with Corannulene in a Rare Gas Matrix: Structures, Stability and IR Spectra

The interaction of polycyclic aromatic hydrocarbons (PAHs) with water is of paramount importance in atmospheric and astrophysical contexts. We report here a combined theoretical and experimental study of corannulene-water interactions in low temperature matrices and of the matrix’s influence on the photoreactivity of corannulene with water. The theoretical study was performed using a mixed density functional based tight binding/force field approach to describe the corannulene-water clusters trapped in an argon matrix, together with Born-Oppenheimer molecular dynamics to determine finite-temperature IR spectra. The results are discussed in the light of experimental matrix isolation FTIR spectroscopic data. We show that in the solid phase, π isomers of (C20H10)(H2O)n, with n = 2 or 3, are energetically favored. These π complexes are characterized by small shifts in corannulene vibrational modes and large shifts in water bands. These π structures, particularly stable in the case of the water trimer where the water cluster is trapped “inside” the corannulene bowl, may account for the difference in photoreactivity of non-planar–compared to planar–PAHs with water. Indeed, planar PAHs such as pyrene and coronene embedded in H2O:Ar matrices form σ isomers and react with water to form alcohols and quinones under low energy UV irradiation, whereas no photoreactivity was observed for corannulene under the same experimental conditions.

Water Information Extraction Based on Multi-Model RF Algorithm and Sentinel-2 Image Data

For the Sentinel-2 multispectral satellite image remote sensing data, due to the rich spatial information, the traditional water body extraction methods cannot meet the needs of practical applications. In this study, a random forest-based RF_16 optimal combination model algorithm is proposed to extract water bodies. The research process uses Sentinel-2 multispectral satellite images and DEM data as the basic data, collected 24 characteristic variable indicators (B2, B3, B4, B8, B11, B12, NDVI, MSAVI, B5, B6, B7, B8A, NDI45, MCARI, REIP, S2REP, IRECI, PSSRa, NDWI, MNDWI, LSWI, DEM, SLOPE, SLOPE ASPECT), and constructed four combined models with different input variables. After analysis, it was determined that RF_16 was the optimal combination for extracting water body information in the study area. Model. The results show that: (1) The characteristic variables that have an important impact on the accuracy of the model are the improved normalized difference water index (MNDWI), band B2 (Blue), normalized water index (NDWI), B4 (Red), B3 (Green), and band B5 (Vegetation Red-Edge 1); (2) The water extraction accuracy of the optimal combined model RF_16 can reach 93.16%, and the Kappa coefficient is 0.8214. The overall accuracy is 0.12% better than the traditional Relief F algorithm. The RF_16 method based on the optimal combination model of random forest is an effective means to obtain high-precision water body information in the study area. It can effectively reduce the “salt and pepper effect” and the influence of mixed pixels such as water and shadows on the water extraction accuracy.

Leaf Pigments, Surface Wax and Spectral Vegetation Indices for Heat Stress Resistance in Pea

Pea is a grain legume crop commonly grown in semi-arid temperate regions. Pea is susceptible to heat stress that affects development and reduces yield. Leaf pigments and surface wax in a crop canopy make the primary interaction with the environment and can impact plant response to environmental stress. Vegetation indices can be used to indirectly assess canopy performance in regard to pigment, biomass, and water content to indicate overall plant stress. Our objectives were to investigate the contribution of leaf pigments and surface wax to heat avoidance in pea canopies, and their associations with spectral vegetation indices. Canopies represented by 24 pea cultivars varying in leaf traits were tested in field trials across six environments with three stress levels in western Canada. Compared with the control non-stress environments, heat stress reduced leaf lamina and petiole chlorophyll a, chlorophyll b, and carotenoid concentrations by 18–35%, and increased leaf lamina chlorophyll a/b ratio, anthocyanin and wax concentrations by 24–28%. Generally, greater leaf pigment and wax concentrations were associated with cooler canopy temperature and high heat tolerance index (HTI) values. Upright cultivars had higher HTI values, whereas the lowest HTI was associated with normal leafed vining cultivars. Vegetation indices, including photochemical reflectance index (PRI), green normalized vegetation index (GNDVI), normalized pigment chlorophyll ratio index (NPCI), and water band index (WBI), had strong correlations with HTI and with heat avoidance traits. This study highlights the contribution of pigments and wax as heat avoidance traits in crop canopies, and the potential application of spectral measurements for selecting genotypes with more heat resistant vegetation.

Confocal Raman microscopic evidence for cyclic water Pentamer, at high temperatures in a supramolecular host of [Cu(cyclam)(N3)2]·4H2O

Here, we report the existence of a pentameric water cluster in the host framework of [Cu(cyclam)(N3)2]·4H2O, that is stable upto 167 °C, well above the boiling point of water. The pentameric cluster structure embedded in the host framework is evident from the single crystal studies. The high thermal stability is confirmed by TGA and temperature dependent confocal Raman microscopic studies, where loss of water bands is well captured between 167 and 170 °C, besides its existence through SCXRD studies. To the best of our knowledge, this is the first report where temperature dependent confocal Raman microscopic investigation is used to study the stability of water in crystal environment. The study promises that temperature dependent confocal Raman microscopy can be an efficient tool to investigate the existence and stability of small water clusters, precisely in restricted environments.

An alternative linear flow model and boundary integral flow representation for ship motions in regular waves

The basic issue of formulating a linear flow model for the analysis of potential flow around a ship advancing at a constant speed in regular waves is considered. Specifically, the ‘rigid-waterplane flow model’, previously considered for diffraction–radiation of regular waves by offshore structures, is applied to analyze flows around ships advancing in regular waves. A straightforward application of Green’s fundamental identity to the rigid-waterplane flow model yields a remarkable new boundary integral flow representation. Indeed, this flow representation does not involve a line integral around the mean waterline of the ship hull surface, is weakly singular, does not involve a distribution of dipoles over the ship-hull surface, and is free from irregular frequencies. In the particular case of flow around a ship steadily advancing in calm water, the boundary integral flow representation obtained in the study via an analysis based on the rigid-waterplane flow model is identical to the flow representation associated with the Neumann–Michell theory, which is based on a different linear flow model that only considers the flow region strictly outside the ship but consistently accounts for the linear contribution of the thin band of water between the wave profile along the ship hull surface and the undisturbed free surface. This result strongly suggests that the classical application of Green’s basic identity to analyze linear potential flow around a ship advancing in regular waves or in calm water, which yields a notoriously troublesome line integral around the ship waterline, may be questionable due to possible incompatibilities between the Neumann boundary condition at the ship hull surface and the linear free surface boundary condition associated with flows around ships advancing in calm water or in regular waves. This fundamental difficulty may be alleviated in the rigid-waterplane flow model, which imposes a compatibility condition between the Neumann boundary condition at the rigid lid that artificially closes the open ship hull surface and the linear boundary condition at the free surface above the waterplane-lid. The boundary integral flow representation given in the study also holds for diffraction–radiation of regular waves by offshore structures. Thus, this new flow representation provides a common mathematical basis, which fundamentally differs from the basis steadfastly adopted over the past fifty years, for the analysis of three basic classes of flows in ship and offshore hydrodynamics, and indeed can be applied more generally to other boundary-value problems such as those associated with flexural-gravity waves for ice sheets or very large floating structures.

Survival of Xanthoria parietina in simulated space conditions: vitality assessment and spectroscopic analysis

AbstractXanthoria parietina is a widespread foliose lichen growing on barks and rocks showing a broad spectrum of tolerance to air pollutants such as NOX and heavy metals, and resistance to UV-radiation because of the screening properties provided by the secondary metabolite parietin. The aim of this study was to evaluate the ability of this lichen species to survive in the following simulated space conditions, UV-radiation in N2 atmosphere and UV-radiation in vacuum. The efficiency of the photosynthetic apparatus was used as an indicator of vitality, and was expressed in terms of chlorophyll a fluorescence (FV/FM) and Normalized Difference Vegetation Index (NDVI), which were measured within 72 h from the exposure. Additionally, during the irradiation, the IR reflectance spectrum of the lichen was monitored in situ to assess changes in spectral bands. The results showed significant differences in physiological recovery trends between the treatments, highlighting that UV-radiation in vacuum causes stronger effects on FV/FM values. The IR analysis revealed several spectral band changes in the fingerprint region. The most visible variation was the 5200 cm−1 water band that disappeared in the overtone region. Nevertheless, X. parietina was able to survive UV-radiation in N2 atmosphere and in vacuum, and for this reason it may be considered a candidate for further evaluations on its survival capacity in extreme conditions.

Oblique In-Scene Atmospheric Compensation

This research introduces a novel oblique longwave infrared atmospheric compensation technique for hyperspectral imagery, Oblique In-Scene Atmospheric Compensation (OISAC). Current atmospheric compensation algorithms have been developed for nadir-viewing geometries which assume that every pixel in the scene is affected by the atmosphere in nearly the same manner. However, this assumption is violated in oblique imaging conditions where the transmission and path radiance vary continuously as a function of object-sensor range, negatively impacting current algorithms’ ability to compensate for the atmosphere. The technique presented here leverages the changing viewing conditions to improve rather than hinder atmospheric compensation performance. Initial analysis of OISAC’s ability to perform atmospheric compensation for both synthetic and measured hyperspectral images suggests improved performance in oblique viewing conditions compared to standard techniques. OISAC is an extension of ISAC, a technique that has been used extensively for longwave infrared atmospheric compensation applications for over 20 years. OISAC has been developed to incorporate the range-dependence of atmospheric transmission and path radiance in identification of the atmospheric state. Similar to the full implementation of ISAC, OISAC requires the existence of near blackbody-like materials over the 11.73 micrometer water band.

Aquaphotomics determination of nutrient biomarker for spectrophotometric parameterization of crop growth primary macronutrients using genetic programming

Water quality assessment is currently based on time-consuming and costly laboratory procedures and numerous expensive physicochemical sensors deployment. In response to the trend of device minimization and reduced outlays in sustainable aquaponic water monitoring, the integration of aquaphotomics and computational intelligence is presented in this paper. This study used the combination of temperature, pH, and electrical conductivity sensors in predicting crop growth primary macronutrient concentration (nitrate, phosphate, and potassium (NPK)), thus, limiting the number of deployed sensors. A total of 220 water samples collected from an outdoor artificial aquaponic pond were temperature perturbed from 16 to 36 °C with 2 °C increments to mimic ambient range, which varies water compositional structure. Aquaphotomics was applied on ultraviolet, visible light, and near-infrared spectral regions, 100 to 1 000 nm, to determine NPK compounds. Principal component analysis emphasized nutrient dynamics through selecting the highly correlated water absorption bands resulting in 250 nm, 840 nm, and 765 nm for nitrate, phosphate, and potassium respectively. These activated water bands were used as wavelength protocols to spectrophotometrically measure macronutrient concentrations. Experiments have shown that multigene symbolic regression genetic programming (MSRGP) obtained the optimal performance in parameterizing and predicting nitrate, phosphate, and potassium concentrations based on water physical properties with an accuracy of 87.63%, 88.73%, and 99.91%, respectively. The results have shown the established 4-dimensional nutrient dynamics map reveals that temperature significantly strengthens nitrate and potassium above 30 °C and phosphate below 25 °C with pH and electrical conductivity ranging between 7 and 8 and 0.1 to 0.2 mS cm−1 respectively. This novel approach of developing a physicochemical estimation model predicted macronutrient concentrations in real-time using physical limnological sensors with a 50% reduction of energy consumption. This same approach can be extended to measure secondary macronutrients and micronutrients.

Enhancing Intersystem Crossing by Intermolecular Dimer-Stacking of Cyanine as Photosensitizer for Cancer Therapy

Enhancing Intersystem Crossing by Intermolecular Dimer-Stacking of Cyanine as Photosensitizer for Cancer Therapy

Utilizing spectral vegetation indices for yield assessment of tomato genotypes grown in arid conditions

Tomato is among important vegetable crops cultivated in different climates; however, heat stress can greatly affect fruit quality and overall yield. Crop reflectance measurements based on ground reflectance sensor data are reliable indicators of crop tolerance to abiotic stresses. Here, we report on using non-destructive spectral vegetation indices to monitor yield traits of 10 tomato genotypes transplanted on three different dates (Aug. 2, Sept. 3 and Oct. 1) during 2019 growing season in the Riyadh region. The ten genotypes comprised six commercial cultivars–(Pearson Improved, Strain B, Valentine, Marmande VF, Super Strain B, and Pearson early) ––and four local Saudi cultivars (Al-Ahsa, Al-Qatif, Hail and Najran). Spectral reflectance data were utilized using a FieldSpec 3 spectroradiometer in the range of 350–2500 nm to calculate nine vegetation indices (VIs): Normalized Water Band Index (NWBI), Difference Water Index (NDWI), Photochemical Reflectance Index (PRI), Normalized Difference Vegetation Index (NDVI), Green Normalized Difference Vegetation Index (GNDVI), Red Edge Normalized Difference Vegetation Index, Soil Adjusted Vegetation Index (SAVI), Red Edge Normalized Difference Vegetation Index (RENDVI), Renormalized Difference Vegetation Index (RDVI), and Normalized Difference Nitrogen Index (NDNI). VIs and yield parameters (total fruit yield, harvest index) revealed that second transplanting date was optimal for all the genotypes. Valentine showed the best growth performance followed by Najran, Hail, Super Strain B and finally Pearson early. For all the three transplanting dates, Valentine recorded the highest total fruit yield. Additionally, some genotypes had no significant differences in the VIs values or the total fruit yield between the second and third transplanting dates. This study indicated that yield parameters could be linked to rapid, non-destructive hyperspectral reflectance data to predict tomato production under heat stress.

Role of Water in the Lyotropic Liquid Crystalline Mesophase of Lithium Salts and Non-ionic Surfactants.

The lyotropic liquid crystalline (LLC) mesophase forms upon evaporation of water from aqueous solutions of LiX salts (X is Cl-, Br-, NO3-, or SCN-) and a surfactant [C12H25(OCH2CH2)10OH, abbreviated as C12E10]. The LiX/C12E10/H2O aqueous solutions have been monitored (during evaporation of their excess water to obtain stable LLC mesophases) by gravimetric, spectroscopic, and conductivity measurements to elucidate the role of water in these mesophases. The water/salt molar ratio in stable mesophases changes from 1.5 to 8.0, depending on the counteranion of the salt and the ambient humidity of the laboratory. The LiX/C12E10/H2O LLC mesophases lose water at lower humidity levels and absorb water at higher humidity levels. The LiCl-containing mesophase holds as few as four structural water molecules per LiCl, whereas the LiNO3 mesophase holds 1.5 waters per salt (least among those assessed). This ratio strongly depends on the atmospheric humidity level; the water/LiX mole ratio increases by 0.08 ± 0.01 H2O in the LLC mesophases per percent humidity unit. Surprisingly, the LLC mesophases are stable (no salt leaching) in broad humidity (10-85%) and salt/surfactant mole ratio (2-10 LiX/C12E10) ranges. Attenuated total reflectance Fourier transform infrared spectroscopic data show that the water molecules in the mesophase interact with salt species more strongly in the LiCl mesophase and more weakly in the case of the nitrate ion, which is evident by the shift of the O-H stretching band of water. The O-H stretching peak position in the mesophases decreases in the order νLiCl > νLiBr > νLiSCN > νLiNO3 and accords well with the H2O/LiX mole ratio. The conductivity of the LLC mesophase also responds to the amount of water as well as the nature of the counteranion (X-). The conductivity decreases in the order σLiCl > σLiBr > σLiNO3 > σLiSCN at low salt mole ratios and in the order σLiBr > σLiCl > σLiNO3 > σLiSCN at higher ratios due to structural changes in the mesophase.

Tracing structural relicts of the ikaite-to-calcite transformation in cryogenic cave glendonite

Abstract Ikaite is a calcium carbonate hexahydrate that forms at temperatures close to the freezing point of water; thus, its occurrence is associated with cryogenic conditions. This mineral is metastable and quickly transforms to calcite at temperatures above 5 °C. Pseudomorphs of calcite after ikaite are known as glendonite. The nanostructure of 25 000–43 000 year old glendonite from Victoria cave (Southern Ural, Russia) was investigated in search of structural features indicative of the ikaite-to-calcite transformation. Scanning electron microscope images display several micrometer- to submicrometer-size pores and indicate high intergranular porosity among the loosely aggregated grains. Transmission electron microscopy (TEM) data show evidence of 10–20 nm nanotwins [twin law (1014)] and 10–40 nm overlapping nanograins. Scanning TEM images reveal that the individual grains contain 5–10 nm long and 2–4 nm wide mesopores (sizes between 2 and 50 nm), which are aligned parallel to [1010] of calcite and might be associated with a crystallographically oriented dehydration of the precursor ikaite. Fourier transform infrared spectroscopy reveals no evidence of structural water but absorption bands related to molecular water trapped in fluid inclusions are present. Nitrogen absorption/desorption measurements show that the specific surface area of 5.78 m2/g and the pore volume of ~0.07 cm3/g for calcite, the constituent of glendonite, are comparable to those of a common natural calcite. We suggest that the aligned mesopores, frequently occurring twins, small grain size, presence of aqueous inclusions and the high micrometer- to submicrometer-size intergranular porosity arise from the ikaite-to-calcite transformation and thus may be used as criteria for the former presence of ikaite and hence for cold paleotemperatures. However, since similar features might also be common in biogenic carbonates, the diagnostic macroscopic pseudomorphs after ikaite are equally important for identifying glendonites and inferring cryogenic conditions.

Temperature-Induced Change of Water Structure in Aqueous Solutions of Some Kosmotropic and Chaotropic Salts.

The hydrogen bond structure of water was examined by comparing the temperature dependent OH-stretching bands of water and aqueous NaClO4, KClO4, Na2SO4, and K2SO4 solutions. Results called attention to the role of cations on top of the importance of anions determining the emerging structure of a multi-layered system consisting single water rings or multi-ring water-clusters.