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Land subsidence is the gradual or sudden dropping of the ground surface developed by increasing the total stress. Most studies have discussed the relationship between land subsidence with groundwater level. However, there is a lack of discussion on groundwater environmental changes after occurring land subsidence. This study aimed to evaluate the hydrogeological and water chemistry characteristics of construction sites with land subsidence. Land subsidence in the Yangyang coastal area occurred suddenly on August 3, 2022, when the retaining wall of the construction collapsed. The groundwater level was measured three times, and water samples were collected twice between August 5, 2022, and September 5, 2022, for laboratory analysis. After land subsidence occurred, the average groundwater level was - 19.91 m ground level (GL) on August 9, 2022, and finally decreased to - 19.21 m GL on September 05, 2022. The groundwater levels surrounding the construction site gradually increased for a month. The electrical conductivity value measured at the monitoring wells ranged from 89 to 7800 μS/cm, and four wells exceeded the measurement limit near the groundwater leaked points. The highest mixing ratio of leaked water samples, collected on August 9, 2022, was 27.6%. Furthermore, the fresh groundwater-saltwater interface depth was estimated to be above the construction bottom. Although groundwater levels recovered, the groundwater quality continuously is affected by saltwater. This finding could contribute to understanding the hydrogeological characteristics surrounding construction sites with land subsidence and provide insight into the hydrochemical evolution process during declined groundwater levels in coastal aquifers., (© 2023. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)

A coumarin based Schiff base was found to be an excellent indicator of moisture, via rapid in situ hydrolysis. A structure-relationship examination of a small library of Schiff bases revealed the critical importance of hydrogen bond acceptors in close proximity to the imine bond, and this observation was further supported by theoretical calculations as well as the solid state structure analysis. The most sensitive compound demonstrated a limit of detection and quantification of 0.18% and 0.54% v/v water in DMSO, respectively.

Self-assembly of melamine-cyanuric acid (MC) leads to urinary tract calculi and renal failure. The hydration effects on molecular geometry, the IR spectra, the frontier molecular orbital, the energy barrier of proton transfer (PT), as well as the stability of MC were explored by density functional theory (DFT) calculations. The intramolecular PT breaks the big π-conjugated ring of melamine or converts the p-π conjugation (:N-C'=O) to π-π conjugation (O=C-N=C') of cyanuric acid. The intermolecular PT varies the coupling between melamine and cyanuric acid from pure hydrogen bonds (Na…HNd and NH…O) to the cooperation of cation…anion electrostatic interaction (NaH(+)…Nd (-)) and two NH…O hydrogen bonds. Distinct IR spectra shifts occur for Na…HNd stretching mode upon PT, i.e., blue-shift upon intramolecular PT and red-shift upon intermolecular PT. It is expected that the PT would inhibit the generation of rosette-like structure or one-dimensional tape conformer for the MC complexes. Hydration obviously effects the local geometric structure around the water binding site, as well as the IR spectra of NH…O and N…HN hydrogen bonds. Hydration decreases the intramolecular PT barrier from ~45 kcal mol(-1) in anhydrous complex to ~11.5 kcal mol(-1) in trihydrated clusters. While, the hydration effects on intermolecular PT barrier is slight. The relative stability of MC varies slightly by hydration due to the strong hydrogen bond interaction between melamine and cyanuric acid fragments. Graphical Abstract Hydration effect on proton transfer in melamine-cyanuric acid complex.

The electron and proton transfer in phenol-imidazole-base systems (base = NH(2)(-) or OH(-)) were investigated by density-functional theory calculations. In particular, the role of bridge imidazole on the electron and proton transfer was discussed in comparison with the phenol-base systems (base = imidazole, H(2)O, NH(3), OH(-), and NH(2)(-)). In the gas phase phenol-imidazole-base system, the hydrogen bonding between the phenol and the imidazole is classified as short strong hydrogen bonding, whereas that between the imidazole and the base is a conventional hydrogen bonding. The n value in sp(n) hybridization of the oxygen and carbon atoms of the phenolic CO sigma bond was found to be closely related to the CO bond length. From the potential energy surfaces without and with zero point energy correction, it can be concluded that the separated electron and proton transfer mechanism is suitable for the gas-phase phenol-imidazole-base triads, in which the low-barrier hydrogen bond is found and the delocalized phenolic proton can move freely in the single-well potential. For the gas-phase oxidized systems and all of the triads in water solvent, the homogeneous proton-coupled electron transfer mechanism prevails., (Copyright 2009 Wiley Periodicals, Inc.)

To study the hyporheic exchange driven by a single peak flood‐induced water level fluctuation (i.e., flood wave), a method combining numerical simulation with theoretical derivation was proposed based on the Inbuk Stream, Korea, where flooding occurs frequently. The hyporheic exchanges induced by different flood waves were investigated by varying amplitude (A), duration (T), wave type parameter (r), and rising duration (tp), which were adopted from the real‐time stream stage fluctuations. Additionally, the idea of constant upstream flood volume (CUFV) condition for flood waves was put forward, and the effects of "Botan" (T/A) and peak number (N) on hyporheic exchange were studied. The results showed that the hyporheic exchange flux (q) was controlled by the water level h (sine‐type) and its change rate v (cosine‐type), and was proportional to the polynomial of them q∝ (ω∙h + v), where ω is the angular frequency of the flood wave. Based on this mechanism, the influence principles on hyporheic exchanges of the typical flood wave parameters (A, T, r and tp) as well as T/A and N under CUFV condition were clarified. The main characteristic variables of hyporheic exchange, which were maximum aquifer storage and residence time, were positively correlated. They also had positive relations to the integral of the flood wave over time, which increased when the wave became higher, wider, rounder and less skewed. However, when CUFV condition was imposed, the residence time was positively correlated with T/A, whereas the maximum aquifer storage was negatively correlated with T/A. With the increase in N, water exchanged more frequently and some water returned to the stream early, leading to the slight decrease in maximum aquifer storage and residence time. These findings enriched the theory of hyporheic exchange driven by surface water fluctuation and be of great significance to enhance pollutant degradation in the hyporheic zone downstream of reservoirs. [ABSTRACT FROM AUTHOR]

Various levels of ab initio theory using various basis sets have been tested for the energy, structure, and harmonic vibrational frequencies of the water monomer. The level of the single, double, and perturbative triple excitation coupled-cluster method [CCSD(T)] using a large basis set (O:13s,8p,4d,2f/ H:8s,4p,2d) reproduced the experimental harmonic vibrational frequencies of the water monomer within the error of 0.6 cm-1. Other calculational methods seem to have inherent errors in predicting vibrational frequencies. Even with the above large basis set significant differences between symmetric and asymmetric stretching frequencies were found at various levels of calculational method including the commonly used Möller–Plesset 2nd (MP2) and 4th (MP4) order perturbation theories. The harmonic vibrational frequencies and force constants of the water dimer at various levels of ab initio theory have also been studied, and their shifts in the dimer relative to the monomer are discussed. At the Hartree–Fock (HF) level frequency shifts in the dimer relative to the monomer as well as hydrogen bonding strength in the dimer are underestimated, while at the MP2 level these are overestimated. The values at the CCSD(T) level seem to be reliable. © 1995 American Institute of Physics. [ABSTRACT FROM AUTHOR]

The global minimum energy structures of the water hexamer predicted by widely used analytic water potentials are very different from each other, while the cyclic hexamer does not appear to be a low-lying energy structure. However, high levels of ab initio calculation predict that a number of low-lying energy conformers including the cyclic conformer are almost all isoenergetic due to the balance of two-body and nonadditive interactions. For modeling of water potentials, we suggest that the binding energy of the dimer be between -5.0 and -4.7 kcal (mol dimer)-1, while the three-body corrections be taken into account to a large extent. [ABSTRACT FROM AUTHOR]

Sn–porphyrin networks were engineered on the surface of a thin layer chromatography (TLC) plate via Sonogashira coupling of the Sn–porphyrin building block and 1,4-diiodobenzene. The Sn–porphyrin film showed a strong Soret band absorption at 422 nm, emission at 600–630 nm, and excellent sensing performance toward nitrophenols in water. [ABSTRACT FROM AUTHOR]

Summary: Groundwater is being now seriously considered as heat sources for space heating and cooling in Korea. This study evaluated groundwater temperature data obtained from 266 Korean national groundwater monitoring stations. Spatial distribution of the groundwater temperatures is mainly affected by geographical latitude, air temperature, and local topographic elevations. The distribution pattern for the groundwater temperatures is most similar to that of the air temperature. Annual variations of the groundwater temperatures were classified into four main patterns. The P (periodic) type representing periodic annual variation was mainly found in shallow groundwaters (62.5%). Most peculiar is F (flat) type, in which the groundwater temperatures showed nearly no variation, and was mostly observed in deep wells (47.9%). Water levels are seemingly related to the classifications. Water levels of P or WP (weak periodic) types were shallowest while those of F type were deepest. Magnitude of annual temperature variation was within 8°C for 76.6% of the shallow wells while 97.1% account for the variation within 8°C in the deep wells. The highest groundwater temperatures mostly occurred in the coldest months (November–February) and the lowest temperatures in March–June, immediately before the hottest months (July–August). A simple exponential relationship between the amplitude and the phase difference with respect to the air temperature was found, which indicates propagation of the air temperature mainly due to conduction. Considering stability of groundwater temperatures, F type in bedrock aquifers appeared most suitable for the heat pumps in respect to efficient system design and maintenance. For practical application of the groundwater heat pumps, detailed investigation of hydrogeologic conditions and potential environmental changes is required. [Copyright &y& Elsevier]

Evaluates the effects of possible sources of uncertainty and inaccuracy that can arise in test performance and data analysis in pumping and slug tests. Slug and pumping as commonly used tests in obtaining hydraulic parameters of aquifers; Vulnerability to error and uncertainty of the slug test; Presence of head losses due to turbulence as characteristic of the pumping test.

• Hyporheic zone depth is of importance for managing groundwater contamination. • We tested a probabilistic approach to delineate hyporheic zone depth. • This approach considered parameters as variables rather than fixed. • Our method is more accurate and less time-consuming than previous methods. Delineating the hyporheic zone, where groundwater and surface water mix, is of great importance for managing groundwater contamination introduced through surface water. A prior study proposed a method for estimating the hyporheic zone's depth using heat transfer analysis; this approach's high sensitivity compared with conventional tracer tests made it more appropriate for delineate the hyporheic zone depth. However, that method treated all related parameters as deterministic values, while real-world parameters are not fixed but vary widely around their means. In this study, we improved on this approach by converting it into a probabilistic method, in which the principal parameters in the governing equation were considered random values and were sampled using Monte-Carlo simulation. We conducted repeated heat transfer analyses for each case and collected the resulting hyporheic zone depths as probabilistic distributions. This allowed us to calculate the distribution of the hyporheic zone and its mean value more accurately and time-efficiently. [ABSTRACT FROM AUTHOR]

The correlation of various properties of water clusters (H[sub 2]O)[sub n=1-10] to the cluster size has been investigated using extensive ab initio calculations. Since the transition from two dimensional (2-D) (from the dimer to pentamer) to 3-D structures (for clusters larger than the hexamer) is reflected in the hexamer region, the hexamer can exist in a number of isoenergetic conformers. The wide-ranging zero-point vibrational effects of the water clusters having dangling H atoms on the conformational stability by the O-H flapping or proton tunneling through a small barrier (∼0.5 kcal/mol) between two different orientations of each dangling H atom are not large (∼0.1) kcal/mol). Large dipole moments (>2.5 D) are found in the dimer and decamer, and significant dipole moments (∼2 D) are observed in the monomer, hexamer, and nonamer. The polarization per unit monomer rapidly increases with an increasing size of the cluster. However, this increase tapers down beyond the tetramer. The O-H vibrational frequencies serve as sensitive indicators of the status of proton donation ("d") and acceptance ("a") (i.e., the structural signature of H-bond type) for each water monomer in the cluster. In general, the magnitudes of the O-H frequencies (ν) for each cluster can be arranged in the following order: ν[sub 3][sup da] (single donor-single acceptor) ≅ν[sub 3][sup daa] (single donor-double acceptor) >ν[sub 3][sup dda] (double donor-single acceptor) >ν[sub 1][sup dda]>ν[sub 1][sup da]> (or ≅) ν[sub 1][sup daa]. The increase in the cluster size has a pronounced effect on the decrease of the lower frequencies. However, there are small changes in the higher frequencies (ν[sub 3][sup da] and ν[sub 3][sup daa]). The intensities of ν[sub 1][sup daa] and ν[sub 1][sup da] are very high, since the increased atomic charges can be correlated to the enhanced H-bond relay effect. On the other hand, the intensities of the ν[... [ABSTRACT FROM AUTHOR]