dyphAI dynamic pharmacophore modeling with AI: a tool for efficient screening of new acetylcholinesterase inhibitors by Yasser Hayek-Orduz, Dorian Armando Acevedo-Castro, Dorian Armando Acevedo-Castro, Juan Sebastián Saldarriaga Escobar, Brandon Eli Ortiz-Domínguez, María Francisca Villegas-Torres, Paola A. Caicedo, Álvaro Barrera-Ocampo, Natalie Cortes, Edison H. Osorio, Andrés Fernando González Barrios

“…Experimental results revealed that molecules, 4 (P-1894047), with its complex multi-ring structure and numerous hydrogen bond acceptors, and 7 (P-2652815), characterized by a flexible, polar framework with ten hydrogen bond donors and acceptors, exhibited IC₅₀ values lower than or equal to that of the control (galantamine), indicating potent inhibitory activity. …”
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Promising Directions in Chemical Processing of Methane from Coal Industry. Part 4. Long-term Stability Test by Е.V. Matus, O.V. Tailakov, O.B. Sukhova, A.V. Salnikov, O.A. Stonkus, M.A. Kerzhentsev, S.R. Khairulin, Z.R. Ismagilov

“… For the processing of coal mine methane into hydrogen-containing gas, a catalytic process of methane tri-reforming was studied under long-term testing conditions (800 ᵒC, 100 h). …”
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Phase relations of bridgmanite, the most abundant mineral in the Earth’s lower mantle by Tomoo Katsura

“…The incorporation of hydrogen and large cations like Ca is likely limited, although these issues are still debated. …”
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Growth on Alpha-Ketoglutarate Increases Oxidative Stress Resistance in the Yeast Saccharomyces cerevisiae by Maria Bayliak, Nadia Burdyliuk, Volodymyr Lushchak

“…Wild-type yeast cells grown on AKG were more resistant to hydrogen peroxide, menadione, and transition metal ions (Fe2+ and Cu2+) but not to ethanol and heat stress as compared with control ones. …”
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Design and Fabrication of Flexible Nanoantenna-Based Sensor Using Graphene-Coated Carbon Cloth by Senthil Kumar Kandasamy, S. Maheswaran, S. Anbu Karuppusamy, J. Indra, R. Anand, P. Rega, A. Kavitha, K. Immanuvel Arokia James, Kasthuri Nehru, K. Kathiresan

“…Recently, nanodiamonds, graphene, and carbon nanotubes are served as electrodes, hydrogen storage elements, and composite materials. …”
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Kinetics and Mechanism of the Reaction between Chromium(III) and 2,3-Dihydroxybenzoic Acid in Weak Acidic Aqueous Solutions by Athinoula L. Petrou, Vladimiros Thoma, Konstantinos Tampouris

“…The positive value of ΔS≠ can be explained by the opening of a four-membered ring (positive entropy change) and the breaking of a hydrogen bond (positive entropy change) at the associative step of the replacement of the carboxyl group by the hydroxyl group at the chromium(III) center (negative entropy change in associative mechanisms). …”
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Reduction Behavior of Olanzapine and Its Differential Pulse Voltammetric Determination in Human Urine and Pharmaceuticals by Sultan Yağmur

“…The number of transferred electrons was found equal to the number of the hydrogen ions taking part in the electrode reaction. …”
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A theoretical prediction for generating isolated attosecond pulse in water window utilizing instantaneous frequency change of two-color driving laser pulse by Masoumeh Dehghanian, Mohammad Sabaeian, Siamak Noorizadeh

“…Abstract This work reports on the theoretical generation of isolated soft-X ray 106 attosecond pulse within the water window spectral region, through interacting a chirped two-color femtosecond laser pulse with a hydrogen atom. To construct this pulse, a chirped 3.5 optical cycle (9.33 fs) laser pulse with a wavelength of 800 nm and an intensity of $$5\times {10}^{14}\frac{\text{W}}{{\text{cm}}^{2}}$$ is used as the main field. …”
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The edge of chaos is that where consciousness manifests itself through intermittent dynamics by Valeriy Sbitnev

“…At such temperatures, only heavy ions, such as hydrogen ions (protons), can pass robustly through the water medium of the brain. …”
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Theoretical Investigation on the Solubilization in Water of Functionalized Single-Wall Carbon Nanotubes by Michael Mananghaya, Emmanuel Rodulfo, Gil Nonato Santos, Al Rey Villagracia

“…The SWCNT model used in the study consists of a finite, (5, 0) zigzag nanotube segment containing 60 C atoms with hydrogen atoms added to the dangling bonds of the perimeter carbons. …”
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Pharmacognostic evaluation of Lasimorpha senegalensis schott leaves (Araceae) by Ginikachukwu MaryRose Okoh, Obinna Sabastin Onugwu, Obodike Christopher Ezugwu

“…The qualitative phytochemical test identified tannins, glycosides, alkaloids, terpenoids, phenols, and flavonoids, as well as trace amounts of steroids, saponins, and hydrogen cyanides. This study provided valuable insight into the pharmacognostic standardization of L. senegalensis leaves and can be used to create a monograph and prevent adulteration of this important leaf plant. …”
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The Redox Process in Red Blood Cells: Balancing Oxidants and Antioxidants by Dala N. Daraghmeh, Rafik Karaman

“…Oxyhemoglobin autoxidation is the primary source of endogenous RBC oxidant production, which produces superoxide radicals and hydrogen peroxide. Potent exogenous oxidants from other blood cells and the surrounding endothelium can also enter RBCs. …”
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Carbon Nanofoam by Pulsed Electric Arc Discharges by David Saucedo-Jimenez, Isaac Medina-Sanchez, Carlos Couder Castañeda

“…The synthesis was carried out in a controlled atmosphere at 200 torr of hydrogen pressure. The pulsed electric arc discharge was established between two graphite electrodes with 22.8 kVA of power and 150 A DC current; the cathode was relatively motionless and was made of a pure carbon rod of 6 mm diameter, and the spinner anode was a pure carbon disc spinning at 600 rpm; over the disc was an annular cavity where the new catalytic mixture of 93.84/2.56/1.43/0.69/1.48 of C/Ni/Fe/Co/S molar fraction was deposited in a geometrically fixed way by 8 catalytic mixture blocks and 8 empty spaces, and the discharge frequency was 80 Hz. …”
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Determination of Anthracycline Drug Residual in Cleaning Validation Swabs of Stainless-Steel Equipment after Production of Cytostatic Injections Using HPLC Analytical Method by Zuzana Slivová, Radka Opatřilová

“…The mobile phase consisted of lauryl hydrogen sulphate solution (3.7 g/L) : methanol : acetonitrile (54 : 16 : 30, v/v/v) with pH adjusted to 2.5 using phosphoric acid (85%). …”
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Quenching-Chemiluminescence Determination of Trace Amounts of l-Tyrosine Contained in Dietary Supplement by Chemiluminescence Reaction of an Iron-Phthalocyanine Complex by Takao Ohtomo, Shukuro Igarashi, Yoshitaka Takagai, Osamu Ohno

“…The chemiluminescence (CL) signal immediately appeared when a hydrogen peroxide solution was injected into an iron-phthalocyanine tetrasulfonic acid (Fe-PTS) aqueous solution. …”
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Chemical Feature-Based Molecular Modeling of Urotensin-II Receptor Antagonists: Generation of Predictive Pharmacophore Model for Early Drug Discovery by Anubhuti Pandey, Sarvesh Kumar Paliwal, Shailendra Kumar Paliwal

“…For a series of 35 piperazino-phthalimide and piperazino-isoindolinone based urotensin-II receptor (UT) antagonists, a thoroughly validated 3D pharmacophore model has been developed, consisting of four chemical features: one hydrogen bond acceptor lipid (HBA_L), one hydrophobe (HY), and two ring aromatic (RA). …”
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Preparation and Structural Properties of Free Films from Rapeseed Oil-Based Rigid Polyurethane-Montmorillonite Nanocomposites by Sergey Gaidukov, Ugis Cabulis, Karina Gromilova, Velta Tupureina, Agnese Grigalovica

“…The Fourier transform infrared spectral analysis (FTIR-ATR) is used to determine the urethane group concentration and hydrogen bonds formation in PU and PU/OMMT nanocomposites. …”
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Absorbed Pb2+ and Cd2+ Ions in Water by Cross-Linked Starch Xanthate by Kai Feng, Guohua Wen

“…A cross-linked starch xanthate was prepared by graft copolymerization of acrylamide and sodium acrylate onto starch xanthate using potassium persulfate and sodium hydrogen sulfite initiating system and N,N′-methylenebisacrylamide as a cross-linker. …”
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Waste-Tire-Derived Activated Carbon as Efficient Adsorbent of P-Nitrophenol from Wastewater by Chunhua Hu, Suliu Hu, Ping Fang, Zijun Tang, Xiang Xiao, Haiwen Wu

“…The adsorption process is in the form of chemisorption and is dominated by hydrogen bonding and π-πEDA formation, but the adsorption tends to be monolayer, and the adsorption behavior can be described by a proposed secondary model. …”
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Molecular Modeling and Spectroscopic Studies on the Interaction of Transresveratrol with Bovine Serum Albumin by Xiaoli Liu, Yonghui Shang, Xudong Ren, Hua Li

“…The thermodynamic parameters ΔH and ΔS are estimated to be −21.82 kJ mol−1 and +21.15 J mol−1 K−1, which indicates that the interaction of TRES with BSA is driven mainly by hydrophobic forces and there are also hydrogen bonds and electrostatic interactions. The competitive experiments suggest that the binding site of TRES to BSA is probably located on site II. …”
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