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Yury V. Torubaev, Ivan V. Skabitskiy, Mariela J. Pavan et al.

Balaraman Somasundaram, K. Divya

We examine a queueing system with vacation in which the service rate deteriorates during the service and recovers the service rate during the vacation. The backup server with less service rate takes the place of the main server during the recovery time. The matrix analytic method is used to analyse the system and some performance metrics are obtained. The Adaptive Neuro-Fuzzy Inference System (ANFIS) was utilized to construct various performance measures by developing rules from input datasets. The results and the sensitivity of the model parameters are demonstrated by numerical examples.

Nicolas Delporte, Giacomo La Scala, Naoki Sasakura et al.

We propose a new definition of characteristic polynomials of tensors based on a partition function of Grassmann variables. This new notion of characteristic polynomial addresses general tensors including totally antisymmetric ones, but not totally symmetric ones. Drawing an analogy with matrix eigenvalues obtained from the roots of their characteristic polynomials, we study the roots of our tensor characteristic polynomial. Unlike standard definitions of eigenvalues of tensors of dimension $N$ giving $\sim e^{\text{constant} \, N}$ number of eigenvalues, our polynomial always has $N$ roots. For random Gaussian tensors, the density of roots follows a generalized Wigner semi-circle law based on the Fuss-Catalan distribution, introduced previously by Gurau [arXiv:2004.02660 [math-ph]].

Hong Ling, Mingqi Deng, Qi Zhang et al.

This study presents an approach using multiple linear regression to quantify the impact of meteorological parameters and chemical species on aerosol pH variance in an urban setting in the Pearl River Delta, China. Additionally, it assesses the contributions of interactions among these factors to the variance in pH. The analysis successfully explains over 96% of the pH variance, attributing 85.8% to the original variables and 6.7% to bivariate interactions, with further contributions of 2.3% and 1.0% from trivariate and quadrivariate interactions, respectively. Our results highlight that meteorological factors, particularly temperature and humidity, are more influential than chemical components in affecting aerosol pH variance. Temperature alone accounts for 37.3% of the variance, while humidity contributes approximately 20%. On the chemical front, sulfate and ammonium are the most significant contributors, adding 14.3% and 9.1% to the pH variance, respectively. In the realm of bivariate interactions, the interplay between meteorological parameters and chemical components, especially the <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mrow><mi>TNO</mi></mrow><mrow><mn>3</mn></mrow></msub><mo>–</mo><mi>RH</mi></mrow></semantics></math></inline-formula> pair, is exceptionally impactful, constituting 58.1% of the total contribution from interactions. In summary, this study illuminates the factors affecting aerosol pH variance and their interplay, suggesting the integration of statistical methods with thermodynamic models for enhanced understanding of aerosol acidity dynamics in the future.

Alexandru Bogdan Stache, Ilarion Mihăilă, Ioana Cristina Gerber et al.

Over the past decade, cold atmospheric plasma (CAP) has undergone extensive research as a promising therapeutic approach in oncology, with different treatment methods and exposure configurations being investigated and resulting in various biological effects, most of them after long exposure or treatment durations. This study aimed to evaluate the potential of a custom-made CAP generation source to produce plasma-activated medium (PAM) with cytotoxic effects and subsequently to establish the optimal exposure and treatment parameters. The exposure’s electrical parameters, as well as pH and <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msubsup><mrow><mi>NO</mi></mrow><mn>2</mn><mo>−</mo></msubsup></mrow></semantics></math></inline-formula> content of PAM were analyzed. The cytotoxic potential and optimal parameters of the treatment were established by evaluating the viability of human osteosarcoma cells (HOS cell line) and human osteoblasts (HOB cell line) treated with PAM under different conditions. Our results showed that indirect treatment with CAP presents selective dose-dependent cytotoxic effects, while the cell viability decrease was not found to be correlated with the PAM acidification due to CAP exposure. The Griess assay revealed very high and long-term stable concentrations of <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msubsup><mrow><mi>NO</mi></mrow><mn>2</mn><mo>−</mo></msubsup></mrow></semantics></math></inline-formula> in PAM. Overall, this study presents a simple and faster method of producing PAM treatment with cytotoxic effects on HOS cells, by using a custom-built CAP source.

W. Tang, B. B. Ward, M. Beman et al.

<p>As a key biogeochemical pathway in the marine nitrogen cycle, nitrification (ammonia oxidation and nitrite oxidation) converts the most reduced form of nitrogen – ammonium–ammonia (NH<span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M1" display="inline" overflow="scroll" dspmath="mathml"><mrow><msubsup><mi/><mn mathvariant="normal">4</mn><mo>+</mo></msubsup></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="8pt" height="15pt" class="svg-formula" dspmath="mathimg" md5hash="9e82b08d319a1c899f60c89d4a61df91"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="essd-15-5039-2023-ie00001.svg" width="8pt" height="15pt" src="essd-15-5039-2023-ie00001.png"/></svg:svg></span></span>–NH<span class="inline-formula">₃</span>) – into the oxidized species nitrite (NO<span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M3" display="inline" overflow="scroll" dspmath="mathml"><mrow><msubsup><mi/><mn mathvariant="normal">2</mn><mo>-</mo></msubsup></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="9pt" height="16pt" class="svg-formula" dspmath="mathimg" md5hash="5fb634118ac0229fabfb051218e1093b"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="essd-15-5039-2023-ie00002.svg" width="9pt" height="16pt" src="essd-15-5039-2023-ie00002.png"/></svg:svg></span></span>) and nitrate (NO<span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M4" display="inline" overflow="scroll" dspmath="mathml"><mrow><msubsup><mi/><mn mathvariant="normal">3</mn><mo>-</mo></msubsup></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="9pt" height="16pt" class="svg-formula" dspmath="mathimg" md5hash="0723f17b5be9fc41c36a5585631feb47"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="essd-15-5039-2023-ie00003.svg" width="9pt" height="16pt" src="essd-15-5039-2023-ie00003.png"/></svg:svg></span></span>). In the ocean, these processes are mainly performed by ammonia-oxidizing archaea (AOA) and bacteria (AOB) and nitrite-oxidizing bacteria (NOB). By transforming nitrogen speciation and providing substrates for nitrogen removal, nitrification affects microbial community structure; marine productivity (including chemoautotrophic carbon fixation); and the production of a powerful greenhouse gas, nitrous oxide (N<span class="inline-formula">₂</span>O). Nitrification is hypothesized to be regulated by temperature, oxygen, light, substrate concentration, substrate flux, pH and other environmental factors. Although the number of field observations from various oceanic regions has increased considerably over the last few decades, a global synthesis is lacking, and understanding how environmental factors control nitrification remains elusive. Therefore, we have compiled a database of nitrification rates and nitrifier abundance in the global ocean from published literature and unpublished datasets. This database includes 2393 and 1006 measurements of ammonia oxidation and nitrite oxidation rates and 2242 and 631 quantifications of ammonia oxidizers and nitrite oxidizers, respectively. This community effort confirms and enhances our understanding of the spatial distribution of nitrification and nitrifiers and their corresponding drivers such as the important role of substrate concentration in controlling nitrification rates and nitrifier abundance. Some conundrums are also revealed, including the inconsistent observations of light limitation and high rates of nitrite oxidation reported from anoxic waters. This database can be used to constrain<span id="page5040"/> the distribution of marine nitrification, to evaluate and improve biogeochemical models of nitrification, and to quantify the impact of nitrification on ecosystem functions like marine productivity and N<span class="inline-formula">₂</span>O production. This database additionally sets a baseline for comparison with future observations and guides future exploration (e.g., measurements in the poorly sampled regions such as the Indian Ocean and method comparison and/or standardization). The database is publicly available at the Zenodo repository: <a href="https://doi.org/10.5281/zenodo.8355912">https://doi.org/10.5281/zenodo.8355912</a> (Tang et al., 2023).</p>

A. A. Delahaie, P. Barré, F. Baudin et al.

<p>The quality and quantity of soil organic matter (SOM) are key elements that impact soil health and climate regulation by soils. The Rock-Eval^® thermal analysis technique is becoming more commonly used, as it represents a powerful method for SOM characterization by providing insights into bulk SOM chemistry and thermal stability. In this study, we applied this technique on a large soil sample set from the first campaign (2000–2009) of the French Soil Quality Monitoring Network (RMQS – Réseau de mesures de la qualité des sols). Based on our analyses of ca. 2000 composite surface (0–30 cm) samples collected across mainland France, we observed a significant impact of land cover on both the SOM thermal stability and elemental stoichiometry. Cropland soils had a lower mean hydrogen index value (a proxy for the SOM <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M1" display="inline" overflow="scroll" dspmath="mathml"><mrow class="chem"><mi mathvariant="normal">H</mi><mo>/</mo><mi mathvariant="normal">C</mi></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="24pt" height="14pt" class="svg-formula" dspmath="mathimg" md5hash="b404a1b9e7aed8e410134b3c12f580ee"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="soil-9-209-2023-ie00001.svg" width="24pt" height="14pt" src="soil-9-209-2023-ie00001.png"/></svg:svg></span></span> ratio) and a higher thermal stability than grasslands and forests. Regarding the oxygen index (a proxy for the SOM <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M2" display="inline" overflow="scroll" dspmath="mathml"><mrow class="chem"><mi mathvariant="normal">O</mi><mo>/</mo><mi mathvariant="normal">C</mi></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="25pt" height="14pt" class="svg-formula" dspmath="mathimg" md5hash="aa3ee63d16a9544135a7a9f6ec90028c"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="soil-9-209-2023-ie00002.svg" width="25pt" height="14pt" src="soil-9-209-2023-ie00002.png"/></svg:svg></span></span> ratio), we observed significant differences among the values for croplands, grasslands, and forests. Positive correlations of the temperature parameters with the clay content and pH highlight the protective effect of clay on organic matter as well as the impact of pH on microorganisms' mineralization activity. Surprisingly, we found weak effects of climatic parameters on the thermal stability and stoichiometry of SOM. Our data suggest that topsoil SOM is on average more oxidized and biogeochemically stable in croplands. More generally, the high number and even distribution of data across the whole French territory allow one to build a national interpretative reference for these indicators in surface soils.</p>

Tarik Kivrak, Jagadish Nayak, Mehmet Ali Gelen et al.

Pulmonary hypertension (PH) is a chronic and progressive disease. We introduced a novel automated self-organized feature engineering architecture for PH detection, which was trained and refined using a new thoracic CT image dataset. This study&#x2019;s dataset includes 807 transverse contrast-enhanced CT images from 313 patients, categorized into four groups: Group 1 with 20 mmHg <inline-formula> <tex-math notation="LaTeX">$\le $ </tex-math></inline-formula> mean pulmonary artery pressure (mPAP) &#x003C; 25 mmHg; Group 2 with 25 mmHg <inline-formula> <tex-math notation="LaTeX">$\le $ </tex-math></inline-formula> mPAP <inline-formula> <tex-math notation="LaTeX">$\le30$ </tex-math></inline-formula> mmHg; Group 3 where mPAP &#x003E; 30 mmHg; and a control group with no PH. Our model consists of four primary stages: (i) generation of features based on combinations from nested patches, (ii) feature selection, (iii) classification and (iv) majority voting. CT images were segmented into nested patches, each being processed through pretrained EfficientNetB0 and DenseNet201 to derive four deep feature vectors, utilizing both the global average pooling and fully connected layers of these networks. These four extracted features underwent combinatorial operations, resulting in 15 feature vectors. Subsequently, these vectors were introduced to neighborhood component analysis, ReliefF, and Chi2 feature selectors. This process yielded 45 refined feature vectors with diminished data dimensions. These selected vectors were then processed through a support vector machine and k-nearest neighbors classifiers, producing 90 predictive vectors. By applying mode-based iterative majority voting to these vectors, an additional 88 voted prediction vectors were generated, leading to a total of 178 classifier-generated and voted prediction vectors. The optimal classification result was selected from these 178 vectors. With the use of 10-fold cross-validation, our model achieved a remarkable 97.27&#x0025; overall accuracy for the 4-class classification on the study dataset. Owing to its reduced time complexity, this model is practical for CT-based PH screenings.

Wadim Gerner

In the present work we present a general framework which guarantees the existence of optimal domains for isoperimetric problems within the class of $C^{1,1}$-regular domains satisfying a uniform ball condition as long as the desired objective function satisfies certain properties. We then verify that the helicity isoperimetric problem studied in [J. Cantarella, D. DeTurck, H. Gluck and M. Teytel, J. Math. Phys. 41, 5615 (2000)] satisfies the conditions of our framework and hence establish the existence of optimal domains within the given class of domains. We additionally use the same framework to prove the existence of optimal domains among uniform $C^{1,1}$-domains for a first curl eigenvalue problem which has been studied recently for other classes of domains in [A. Enciso, W. Gerner and D. Peralta-Salas, Trans. Amer. Math. Soc. 377, 4519-4540 (2024)].

Yu-Jing Zhao, Fang Zhou

Bi₂Te₃ has an extensive application as thermoelectric materials. Here, large scale Bi₂Te₃ single-crystal hexagonal nanoplates(NPs) with size of 0.4–0.8 μm were synthesized successfully by hydro-thermal method. X-ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscope (TEM) were used to characterize the Bi₂Te₃ nanoplates, which confirm the single crystal quality and smooth surface morphology with large size. We discussed the morphology-evolution in detail the influence of various reaction factors which including: the reaction temperature, the reaction time, the surfactants of the polyvinyl pyrrolidone (PVP) and pH value. The synthesis method is not only green, but also shortens the reaction time and improves the reaction efficiency. The Bi₂Te₃ nanopowders were hot-pressed into solid state pellets through spark plasma sintering (SPS). The values of the electrical conductivity <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>σ</mi></semantics></math></inline-formula> were about 0.16 × 10⁻⁵ Sm⁻¹ and 0.22 × 10⁻⁵ Sm⁻¹ at room temperature and 530 K, respectively. The values of the Seebeck coefficient S were around −81 μVK⁻¹ and −118 μVK⁻¹ at room temperature and 530 K, respectively.

Michael Overduin, Anh Tran, Dominic M. Eekels et al.

Membrane proteins are broadly classified as transmembrane (TM) or peripheral, with functions that pertain to only a single bilayer at a given time. Here, we explicate a class of proteins that contain both transmembrane and peripheral domains, which we dub transmembrane membrane readers (TMMRs). Their transmembrane and peripheral elements anchor them to one bilayer and reversibly attach them to another section of bilayer, respectively, positioning them to tether and fuse membranes while recognizing signals such as phosphoinositides (PIs) and modifying lipid chemistries in proximity to their transmembrane domains. Here, we analyze full-length models from AlphaFold2 and Rosetta, as well as structures from nuclear magnetic resonance (NMR) spectroscopy and X-ray crystallography, using the Membrane Optimal Docking Area (MODA) program to map their membrane-binding surfaces. Eukaryotic TMMRs include phospholipid-binding C1, C2, CRAL-TRIO, FYVE, GRAM, GTPase, MATH, PDZ, PH, PX, SMP, StART and WD domains within proteins including protrudin, sorting nexins and synaptotagmins. The spike proteins of SARS-CoV-2 as well as other viruses are also TMMRs, seeing as they are anchored into the viral membrane while mediating fusion with host cell membranes. As such, TMMRs have key roles in cell biology and membrane trafficking, and include drug targets for diseases such as COVID-19.

J. M. Chen, J. M. Chen, R. Wang et al.

<p>The maximum rate of Rubisco carboxylation (<span class="inline-formula"><i>V</i>_cmax</span>) determines leaf photosynthetic capacity and is a key parameter for estimating the terrestrial carbon cycle, but its spatial information is lacking, hindering global ecological research. Here, we convert leaf chlorophyll content (LCC) retrieved from satellite data to <span class="inline-formula"><i>V</i>_cmax</span>, based on plants' optimal distribution of nitrogen between light harvesting and carboxylation pathways. We also derive <span class="inline-formula"><i>V</i>_cmax</span> from satellite (GOME-2) observations of sun-induced chlorophyll fluorescence (SIF) as a proxy of leaf photosynthesis using a data assimilation technique. These two independent global <span class="inline-formula"><i>V</i>_cmax</span> products agree well (<span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M5" display="inline" overflow="scroll" dspmath="mathml"><mrow><msup><mi>r</mi><mn mathvariant="normal">2</mn></msup><mo>=</mo><mn mathvariant="normal">0.79</mn><mo>,</mo><mi mathvariant="normal">RMSE</mi><mo>=</mo><mn mathvariant="normal">15.46</mn><mspace width="0.125em" linebreak="nobreak"/><mrow class="unit"><mi mathvariant="normal">µ</mi></mrow></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="129pt" height="15pt" class="svg-formula" dspmath="mathimg" md5hash="1cb08b9869c7d3facff26f397ef438e1"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="essd-14-4077-2022-ie00001.svg" width="129pt" height="15pt" src="essd-14-4077-2022-ie00001.png"/></svg:svg></span></span>mol m<span class="inline-formula">⁻²</span> s<span class="inline-formula">⁻¹</span>, <span class="inline-formula"><i>P</i><i>&lt;</i>0.001</span>) and compare well with 3672 ground-based measurements (<span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M9" display="inline" overflow="scroll" dspmath="mathml"><mrow><msup><mi>r</mi><mn mathvariant="normal">2</mn></msup><mo>=</mo><mn mathvariant="normal">0.69</mn><mo>,</mo><mi mathvariant="normal">RMSE</mi><mo>=</mo><mn mathvariant="normal">13.8</mn><mspace linebreak="nobreak" width="0.125em"/><mrow class="unit"><mi mathvariant="normal">µ</mi></mrow></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="123pt" height="15pt" class="svg-formula" dspmath="mathimg" md5hash="e4b1cd6460782f3283fc52e81199344e"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="essd-14-4077-2022-ie00002.svg" width="123pt" height="15pt" src="essd-14-4077-2022-ie00002.png"/></svg:svg></span></span>mol m<span class="inline-formula">⁻²</span> s<span class="inline-formula">⁻¹</span> and <span class="inline-formula"><i>P</i><i>&lt;</i>0.001</span> for SIF; <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M13" display="inline" overflow="scroll" dspmath="mathml"><mrow><msup><mi>r</mi><mn mathvariant="normal">2</mn></msup><mo>=</mo><mn mathvariant="normal">0.55</mn><mo>,</mo><mi mathvariant="normal">RMSE</mi><mo>=</mo><mn mathvariant="normal">18.28</mn><mrow class="unit"><mi mathvariant="normal">µ</mi></mrow></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="128pt" height="15pt" class="svg-formula" dspmath="mathimg" md5hash="1e7590bac7c2176af37541ae765f8518"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="essd-14-4077-2022-ie00003.svg" width="128pt" height="15pt" src="essd-14-4077-2022-ie00003.png"/></svg:svg></span></span>mol m<span class="inline-formula">⁻²</span> s<span class="inline-formula">⁻¹</span> and <span class="inline-formula"><i>P</i><i>&lt;</i>0.001</span> for LCC). The LCC-derived <span class="inline-formula"><i>V</i>_cmax</span> product is also used to constrain the retrieval of <span class="inline-formula"><i>V</i>_cmax</span> from TROPical Ozone Mission (TROPOMI) SIF data to produce an optimized <span class="inline-formula"><i>V</i>_cmax</span> product using both SIF and LCC information. The global distributions of these products are compatible with <span class="inline-formula"><i>V</i>_cmax</span> computed from an ecological optimality theory using meteorological variables, but importantly reveal additional information on the influence of land cover, irrigation, soil pH, and leaf nitrogen on leaf photosynthetic capacity. These satellite-based approaches and spatial <span class="inline-formula"><i>V</i>_cmax</span> products are primed to play a major role in global ecosystem research. The three remote sensing <span class="inline-formula"><i>V</i>_cmax</span> products based on SIF, LCC, and SIF<span class="inline-formula">+</span>LCC are available at <a href="https://doi.org/10.5281/zenodo.6466968">https://doi.org/10.5281/zenodo.6466968</a> (Chen et al., 2022), and the code for implementing the ecological optimality theory is available at <span class="uri">https://github.com/SmithEcophysLab/optimal_vcmax_R</span> and <a href="https://doi.org/10.5281/zenodo.5899564">https://doi.org/10.5281/zenodo.5899564</a> (last access: 31 August 2022) (Smith et al., 2022).</p>

Jialing Zhang, Guoxia Han, Ze Yang et al.

Owing to its crooked trajectory and small full width at half-maximum, photonic hook (PH) has attracted wide attention since its inception and experimental confirmation. However, the present generation and regulation of PH are mostly dependent on the breaking of the symmetry of the system composed of the incident light and the regular structure particles, which inevitably limits the research of PH. In this work, the PH of the irregular particles is demonstrated with the help of a structure-constrained function (SCF). By varying the coefficients of the function, characteristic parameters of the PH, such as the bending angle, the effective length and the bending direction, can be effectively modulated. Meanwhile, high-quality PHs with a bending angle of up to 46<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msup><mrow></mrow><mo>∘</mo></msup></semantics></math></inline-formula> and an effective length of up to 11.90<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>λ</mi></semantics></math></inline-formula>, as well as PHs with three bends, can be obtained using this method. The formation mechanism of the PH is revealed by simulating the distribution of the field intensity with the finite element method and analyzing with ray optics. This is the first time that we introduce a function into the investigation of PH, paving a new way for a more interesting exploration of PH.

Tatyana V. Volkova, Olga R. Simonova, Igor B. Levshin et al.

Novel potential antifungal of 1,2,4-triazole class have been synthesized as pure enantiomer (R-98) and racemic (RS-186). The effect of 2-hydroxypropyl-β-cyclodextrin (<i>CD</i>) on the solubility and permeability of RS-186 and R-98 in terms of chiral recognition was investigated. Phase solubility studies were carried out at 4 temperatures in 0–0.05 M <i>CD</i> concentration range for pH 2.0 and pH 7.4. <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>A</mi><mi>L</mi></msub></mrow></semantics></math></inline-formula>- and <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msubsup><mi>A</mi><mi>L</mi><mo>−</mo></msubsup></mrow></semantics></math></inline-formula>-type phase-solubility profiles were obtained for both compounds in pH 2.0 and pH 7.4. The racemic formed more stable complexes with <i>CD</i> as compared to R-isomer. Disclosing of chiral discrimination was facilitated using the approach based on the complex consideration of the derived complexation/solubilization/inherent dissolution thermodynamic functions, including the differential parameters between the racemic compound and R-enantiomer. The differences in the thermodynamic parameters determined by the chirality were discussed in terms of the driving forces of the processes and the main interactions of the compounds with <i>CD</i> in solution. The membrane permeability of both samples in the presence of <i>CD</i> was accessed in order to evaluate the specificity of enantioselective transport through the lipophilic membrane. The solubility/permeability interrelation was disclosed. The investigated compounds were classified as medium permeable in pure buffers and low permeable in the presence of 0.01 M <i>CD</i>. The obtained results can be useful for the design of pharmaceutical products in the form of liquid formulations based on the investigated substances.

B. Liu, A. Rangadurai, H. Shi et al.

<p>In duplex DNA, Watson–Crick A–T and G–C base pairs (bp's) exist in dynamic equilibrium with an alternative Hoogsteen conformation, which is low in abundance and short-lived. Measuring how the Hoogsteen dynamics varies across different DNA sequences, structural contexts and physiological conditions is key for identifying potential Hoogsteen hot spots and for understanding the potential roles of Hoogsteen base pairs in DNA recognition and repair. However, such studies are hampered by the need to prepare <span class="inline-formula">¹³</span>C or <span class="inline-formula">¹⁵</span>N isotopically enriched DNA samples for NMR relaxation dispersion (RD) experiments. Here, using SELective Optimized Proton Experiments (SELOPE) <span class="inline-formula">¹</span>H CEST experiments employing high-power radiofrequency fields (<span class="inline-formula"><i>B</i>₁</span> <span class="inline-formula">&gt;</span> 250 Hz) targeting imino protons, we demonstrate accurate and robust characterization of Watson–Crick to Hoogsteen exchange, without the need for isotopic enrichment of the DNA. For 13 residues in three DNA duplexes under different temperature and pH conditions, the exchange parameters deduced from high-power imino <span class="inline-formula">¹</span>H CEST were in very good agreement with counterparts measured using off-resonance <span class="inline-formula">¹³</span>C <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M10" display="inline" overflow="scroll" dspmath="mathml"><mo>/</mo></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="8pt" height="14pt" class="svg-formula" dspmath="mathimg" md5hash="3af55808dad7e355d8e0b0b2a0272ce7"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="mr-2-715-2021-ie00001.svg" width="8pt" height="14pt" src="mr-2-715-2021-ie00001.png"/></svg:svg></span></span> <span class="inline-formula">¹⁵</span>N spin relaxation in the rotating frame (<span class="inline-formula"><i>R</i>_1<i>ρ</i></span>). It is shown that <span class="inline-formula">¹</span>H–<span class="inline-formula">¹</span>H NOE effects which typically introduce artifacts in <span class="inline-formula">¹</span>H-based measurements of chemical exchange can be effectively suppressed by selective excitation, provided that the relaxation delay is short (<span class="inline-formula">≤</span> 100 ms). The <span class="inline-formula">¹</span>H CEST experiment can be performed with <span class="inline-formula">∼</span> 10<span class="inline-formula">×</span> higher throughput and <span class="inline-formula">∼</span> 100<span class="inline-formula">×</span> lower cost relative to <span class="inline-formula">¹³</span>C <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M23" display="inline" overflow="scroll" dspmath="mathml"><mo>/</mo></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="8pt" height="14pt" class="svg-formula" dspmath="mathimg" md5hash="265e2a7d42d09da6c1e252e5649f9787"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="mr-2-715-2021-ie00002.svg" width="8pt" height="14pt" src="mr-2-715-2021-ie00002.png"/></svg:svg></span></span> <span class="inline-formula">¹⁵</span>N <span class="inline-formula"><i>R</i>_1<i>ρ</i></span> and enabled Hoogsteen chemical exchange measurements undetectable by <span class="inline-formula"><i>R</i>_1<i>ρ</i></span>. The results reveal an increased propensity to form Hoogsteen bp's near terminal ends and a diminished propensity within A-tract motifs. The <span class="inline-formula">¹</span>H CEST experiment provides a basis for rapidly screening Hoogsteen breathing in duplex DNA, enabling identification of unusual motifs for more in-depth characterization.</p>

Siddharth Sharan, Jens Zotzel, Johannes Stadtmüller et al.

Fava bean (<i>Vicia faba</i> L.) is a promising source of proteins that can be potentially used as nutritional and/or functional agents for industrial food applications. Fava ingredients are industrially produced, modified, and utilized for food applications. Their processing conditions influence physico-chemical protein properties that further impact ingredient functionality. To design a functionally suitable ingredient, an understanding of the interrelationships between different properties is essential. Hence, this work aimed to assess two statistical analytical tools, Pearson’s correlation and Principal Component Analysis (PCA), for investigating the role of the process conditions of fava ingredients on their functional and protein properties. Fava concentrates were processed by pH (2, 4, 6.4 and 11), temperature (55, 75 and 95 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msup><mrow></mrow><mo>∘</mo></msup></semantics></math></inline-formula>C) and treatment duration (30 and 360 min) into different modified ingredients. These were utilized under two application conditions (pH 4 and 7), and their foam and emulsion properties as well as their ingredient characteristics (charge, solubility, and intrinsic fluorescence) were measured. The results show that foam and emulsion properties are not correlated to each other. They are associated with different protein and non-protein attributes as fava concentrate is a multi-component matrix. Importantly, it is found that the results from the two statistical tools are not fully comparable but do complement each other. This highlights that both statistical analytical tools are equally important for a comprehensive understanding of the impact of process conditions on different properties and the interrelationships between them. Therefore, it is recommended to use Pearson’s correlation and principal component analysis in future investigations of new plant-based proteins.

Angel Ballesteros, Rutwig Campoamor-Stursberg, Eduardo Fernandez-Saiz et al.

The formalism for Poisson-Hopf (PH) deformations of Lie-Hamilton systems is refined in one of its crucial points concerning applications, namely the obtention of effective and computationally feasible PH deformed superposition rules for prolonged PH deformations of Lie-Hamilton systems. The two new notions here proposed are a generalization of the standard superposition rules and the concept of diagonal prolongations for Lie systems, which are consistently recovered under the non-deformed limit. Using a technique from superintegrability theory, we obtain a maximal number of functionally independent constants of the motion for a generic prolonged PH deformation of a Lie-Hamilton system, from which a simplified deformed superposition rule can be derived. As an application, explicit deformed superposition rules for prolonged PH deformations of Lie-Hamilton systems based on the oscillator Lie algebra ${h}_4$ are computed. Moreover, by making use that the main structural properties of the book subalgebra ${b}_2$ of ${h}_4$ are preserved under the PH deformation, we consider prolonged PH deformations based on ${b}_2$ as restrictions of those for ${h}_4$-Lie-Hamilton systems, thus allowing the study of prolonged PH deformations of the complex Bernoulli equations, for which both the constants of the motion and the deformed superposition rules are explicitly presented.

Bhuyar Prakash, Sathyavathi Sundararaju, K. M. Renukaradhya et al.

Biofuels have been regaining popularity due to the rising price of oil, along with the growing concern about global warming caused by carbon dioxide emissions. Biofuels are processed from plant resources and are mostly made up of cellulose, which is one of the toughest materials. If cellulose can be turned into biofuel, it could be more efficient than other commercially available fuels starchy tuber. The of this study is on bioethanol production from starchy tuber. The comparative study was done between biological and chemical processes for the bioethanol production using Amorphophallus tubers. Amorphophallus commutatus species was selected because it shows higher starch content as per starch estimation. Tuber was collected in the lab and pretreatment was given; followed by slurry was prepared and hydrolyzed by using fungal culture Aspergillus and Trichoderma. Three different conditions were maintained as two samples contain both fungal cultures, and one was having normal pH and temperature, and other was at normal temperature having pH 6, and third having only Aspergillus species and normal temp and pH. Hydrolysis was done by saccharification method. After hydrolysis sample is filtered and all three samples allows for fermentation process by using yeast (Saccharomyces cerevisiae) process is carried out for 12 to 15 days after fermentation the fermented sample was distilled by Soxlet Extraction method and lastly the sample was estimated for alcohol estimation by using specific gravity method. Two samples showed 11% alcohol content and third one shows 12% content when compared with alcoholometry table. Antimicrobial activity was also studied by using three extracts such as before hydrolysis, after hydrolysis and after fermentation against four types of organism’s two species Salmonella and S. aureus shows positive result while E. coli and Serratia sp. showed negative result. Results indicate that chemical process more productive compared to biological process. However, biological process is eco-friendly. It is also costeffective. It can be produced on large scale for production of bioethanol.

A. M. Plumhoff, J. Plášil, E. Dachs et al.

<p>The phases pushcharovskite, geminite and liroconite were synthesized or acquired and characterized by powder X-ray diffraction, infrared spectroscopy, electron microprobe analysis, thermogravimetric analysis and optical emission spectrometry, as needed. Their thermodynamic properties were determined by a combination of acid-solution calorimetry and relaxation calorimetry, resulting in Gibbs free energies of formation (<span class="inline-formula">Δ_fG^o</span>, all values in kilojoules per mole) of <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M5" display="inline" overflow="scroll" dspmath="mathml"><mrow><mo>-</mo><mn mathvariant="normal">1036.4</mn><mo>±</mo><mn mathvariant="normal">3.8</mn></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="70pt" height="10pt" class="svg-formula" dspmath="mathimg" md5hash="a45b48a98adf8eac63c9c2113d74835c"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="ejm-32-285-2020-ie00001.svg" width="70pt" height="10pt" src="ejm-32-285-2020-ie00001.png"/></svg:svg></span></span> (pushcharovskite, <span class="inline-formula">Cu(AsO₃OH)(H₂O)⋅0.5H₂O</span>) and <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M7" display="inline" overflow="scroll" dspmath="mathml"><mrow><mo>-</mo><mn mathvariant="normal">926.7</mn><mo>±</mo><mn mathvariant="normal">3.2</mn></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="64pt" height="10pt" class="svg-formula" dspmath="mathimg" md5hash="6eddae8aedd075fb5241de6d041289bf"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="ejm-32-285-2020-ie00002.svg" width="64pt" height="10pt" src="ejm-32-285-2020-ie00002.png"/></svg:svg></span></span> (geminite, <span class="inline-formula">Cu(AsO₃OH)(H₂O)</span>). For the natural liroconite (<span class="inline-formula">Cu₂Al[(AsO₄)_0.83(PO₄)_0.17](OH)₄⋅4H₂O</span>), <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M10" display="inline" overflow="scroll" dspmath="mathml"><mrow><mrow class="chem"><msub><mi mathvariant="normal">Δ</mi><mi mathvariant="normal">f</mi></msub><msup><mi mathvariant="normal">G</mi><mi mathvariant="normal">o</mi></msup></mrow><mo>=</mo><mo>-</mo><mn mathvariant="normal">2996.3</mn><mo>±</mo><mn mathvariant="normal">9.2</mn></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="107pt" height="14pt" class="svg-formula" dspmath="mathimg" md5hash="b980a747480b9cf6b6220146315ae9e4"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="ejm-32-285-2020-ie00003.svg" width="107pt" height="14pt" src="ejm-32-285-2020-ie00003.png"/></svg:svg></span></span>&thinsp;kJ&thinsp;mol<span class="inline-formula">⁻¹</span>. The estimated <span class="inline-formula">Δ_fG^o</span> for the endmember <span class="inline-formula">Cu₂Al(AsO₄)(OH)₄⋅4H₂O</span> is <span class="inline-formula">−2931.6</span>&thinsp;kJ&thinsp;mol<span class="inline-formula">⁻¹</span>. The crystal structure of liroconite was refined (<span class="inline-formula"><i>R</i>₁=1.96</span>&thinsp;% for 962 reflections with <span class="inline-formula"><i>I</i>&gt;3<i>σ</i>(<i>I</i>)</span>) by single-crystal X-ray diffraction and the positions of H atoms, not known previously, were determined. Liroconite is a rare mineral, except for several localities, notably Wheal Gorland in England. Thermodynamic modelling showed that liroconite will be preferred over olivenite if the Al(III) concentration in the fluid reaches levels needed for saturation with X-ray amorphous <span class="inline-formula">Al(OH)₃</span>. We assume that such fluids are responsible for the liroconite formation during contemporaneous oxidation of primary Cu–As ores and pervasive kaolinization of the host peraluminous granites. pH had to be kept in mildly acidic (5–6), and the activities of dissolved silica were too low to form dioptase. The main stage with abundant liroconite formation was preceded by an acidic episode with scorodite and pharmacosiderite and followed by a late neutral to mildly basic episode with copper carbonates. Geminite and pushcharovskite, on the other hand, are minerals typical for very acidic solutions. At the studied site in Jáchymov (Czech Republic), extremely acidic water precipitates arsenolite; sulfate is removed by formation of gypsum. Geminite associates with other acidic minerals, such as slavkovite, yvonite and minerals of the lindackerite group. Pushcharovskite is metastable with respect to geminite and probably converts quickly to geminite under field conditions.</p>

H. Bose, A. Dutta, A. Roy et al.

<p>Scientific deep drilling of the Koyna pilot borehole into the continental crust up to a depth of 3000&thinsp;m below the surface at the Deccan Traps, India, provided a unique opportunity to explore microbial life within the deep granitic bedrock of the Archaean Eon. Microbial communities of the returned drilling fluid (fluid returned to the mud tank from the underground during the drilling operation; designated here as DF) sampled during the drilling operation of the Koyna pilot borehole at a depth range of 1681–2908 metres below the surface (m&thinsp;b.s.) were explored to gain a glimpse of the deep biosphere underneath the continental crust. Change of pH to alkalinity, reduced abundance of Si and Al, but enrichment of Fe, Ca and <span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M1" display="inline" overflow="scroll" dspmath="mathml"><mrow class="chem"><msubsup><mi mathvariant="normal">SO</mi><mn mathvariant="normal">4</mn><mrow><mn mathvariant="normal">2</mn><mo>-</mo></mrow></msubsup></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="29pt" height="17pt" class="svg-formula" dspmath="mathimg" md5hash="43c7521f547bc9d1c731092871dcc89b"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="sd-27-1-2020-ie00001.svg" width="29pt" height="17pt" src="sd-27-1-2020-ie00001.png"/></svg:svg></span></span> in the samples from deeper horizons suggested a gradual infusion of elements or ions from the crystalline bedrock, leading to an observed geochemical shift in the DF. Microbial communities of the DFs from deeper horizons showed progressively increased abundance of <i>Firmicutes, Gammaproteobacteria</i> and <i>Actinobacteria</i> as bacterial taxa and members of <i>Euryarchaeota</i> as the major archaeal taxa. Microbial families, well known to strive in strictly anaerobic and extremophilic environments, (e.g. <i>Thermoanaerobacteraceae</i>, <i>Clostridiaceae</i>, <i>Bacillaceae</i>, <i>Carnobacteriaceae</i>, <i>Ruminococcaceae</i>), increased in the samples obtained at a depth range of 2000 to 2908&thinsp;m&thinsp;b.s. Phylogenetic analysis of common and unique operational taxonomic units (OTUs) of DF samples indicated signatures of extremophilic and deep subsurface relevant bacterial genera (<i>Mongoliitalea</i>, <i>Hydrogenophaga</i>, <i>Marinilactibacillus</i>, <i>Anoxybacillus</i>, <i>Symbiobacterium</i>, <i>Geosporobacter</i>, <i>Thermoanaerobacter</i>). Thermophilic, obligatory anaerobic sulfate-reducing bacterial taxa known to inhabit the deep subsurface were enriched from DF samples using sulfate as a terminal electron acceptor. This report on the geomicrobiology of the DF obtained during drilling of the deep subsurface of the Deccan Traps showed new opportunities to investigate deep life from terrestrial, granite-rock-hosted habitats.</p>