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Preprint COMMUNICATION | doi:10.20944/preprints202211.0246.v1

Hydrogen Evolution Volcano(es) – From Acidic to Neutral and Alkaline Solutions

Goitom K. Gebremariam, Aleksandar Z. Jovanović, Ana S Dobrota, Natalia V. Skorodumova, Igor A. Pašti

Subject: Chemistry, Electrochemistry Keywords: hydrogen evolution reaction; catalytic trends; acidic media; neutral media; alkaline media

Online: 14 November 2022 (09:20:25 CET)

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Preprint ARTICLE | doi:10.20944/preprints202211.0232.v1

Electron Tunneling in Biology: When Does it Matter?

Setare M. Sarhangi, Dmitry V. Matyushov

Subject: Chemistry, Physical Chemistry Keywords: Protein electron transfer; tunneling; protein dynamics; electrowetting; Stokes-shift dy-namics

Online: 14 November 2022 (02:52:47 CET)

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Preprint REVIEW | doi:10.20944/preprints202211.0147.v1

A Mini Review of Novel Topoisomerase II Inhibitors as Future Anticancer Agents

Cosmas Obi Okoro, Toluwase Hezekiah Fatoki

Subject: Chemistry, Medicinal Chemistry Keywords: topoisomerase; anticancer; cancer; anticancer drugs; enzyme

Online: 8 November 2022 (06:22:07 CET)

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Preprint ARTICLE | doi:10.20944/preprints202211.0132.v1

Natural products as Potential Inhibitors of APH(3')-IIIa of Enterococcus faecalis: An In-silico Perspective

Juan Marcelo Carpio Arévalo, Juliana Carolina Amorim

Subject: Chemistry, Medicinal Chemistry Keywords: Enterococcus faecalis; natural products; aminoglycosides; aminoglycoside-modifying enzymes; APH(3’)-IIIa; flavone derivative

Online: 8 November 2022 (01:39:19 CET)

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Preprint ARTICLE | doi:10.20944/preprints202211.0108.v1

Hybrid Membrane Technology for Acids Recovery from Wastewater of the Coated Steel Wire Production: A Pilot Scale Study

Sergey Loza, Natalia Loza, Alexander Korzhov, Nazar Romanyuk, Nikita Kovalchuk, Stanislav Melnikov

Subject: Chemistry, Electrochemistry Keywords: diffusion dialysis; concentration; electrodialysis; ion-exchange membrane; separation of acids and salts; acid recovery

Online: 7 November 2022 (06:10:02 CET)

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Preprint ARTICLE | doi:10.20944/preprints202211.0105.v1

High-Iron Bauxite Residue (Red Mud) Valorisation Using Hydrochemical Conversion of Goethite to Magnetite

Andrei Shoppert, Dmitry Valeev, Mamodou Malal Diallo, Irina Loginova, Marie Constance Beavogui, Abdukhakim Rakhmonov, Yevgeniy Ovchenkov, Denis Pankratov

Subject: Chemistry, Chemical Engineering Keywords: alkali leaching; red mud; high-iron waste; disposal; Al-goethite; conversion; magnetite

Online: 7 November 2022 (04:30:13 CET)

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Preprint ARTICLE | doi:10.20944/preprints202211.0072.v1

Qualitative and Quantitative Evaluation of Rosavin, Salidroside, and p-tyrosol in Artic Root Products via TLC-screening, HPLC-DAD, and NMR Spectroscopy

Hanna Nikolaichuk, Marek Studziński, Marek Stankevič, Irena Maria Choma

Subject: Chemistry, Analytical Chemistry Keywords: TLC-screening; HPLC-DAD; NMR; arctic root

Online: 3 November 2022 (07:47:15 CET)

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Preprint REVIEW | doi:10.20944/preprints202211.0062.v1

Transporter-Mediated Drug Delivery

Gergely Gyimesi, Matthias A. Hediger

Subject: Chemistry, Medicinal Chemistry Keywords: membrane transporter; SLC; solute carrier; drug design; pharmacokinetics; prodrug; nanoparticle; bile acids

Online: 3 November 2022 (01:09:54 CET)

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Preprint REVIEW | doi:10.20944/preprints202211.0060.v1

Identification and Pharmacological Activities of Secondary Metabolites of Phytochemicals

Oluwaseyi Bukky Ovonramwen

Subject: Chemistry, Organic Chemistry Keywords: secondary metabolites; pharmacological activities; qualitative and quantitative analysis; techniques

Online: 2 November 2022 (13:47:27 CET)

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Preprint ARTICLE | doi:10.20944/preprints202211.0013.v1

Geochemical Characterization of Nyamyumba Hot Springs, Northwest Rwanda

Francois Hategekimana, Theophile Mugerwa, Cedrick Nsengiyumva, Fils Vainqueur Byiringiro, Digne Edmond R. Rwabuhungu

Subject: Chemistry, Applied Chemistry Keywords: geochemistry; hot springs; Lake Kivu; Rift system; safety; Nyamyumba

Online: 1 November 2022 (03:39:17 CET)

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Preprint ARTICLE | doi:10.20944/preprints202211.0009.v1

Explanation of the Nano Quantum Electron Transport From Populated Occupied Higher Bound Energy States to Unoccupied Lower States

Najwa Idris A.Ahmed, Mona A. Alamri, Soltani Sonia, Zoalnoon Ahmed Abeid Allah Saad

Subject: Chemistry, Applied Chemistry Keywords: Maxwell's electric equation, Schrödinger equation, probability, transport, electron, energy states, diffusion, stable atom

Online: 1 November 2022 (02:18:29 CET)

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Preprint ARTICLE | doi:10.20944/preprints202210.0408.v1

Synthesis, Structure and Molecular Docking of New 4,5-Dihydrothiazole Derivatives Based on 3,5-Dimethylpyrazole and Cytisine and Salsoline Alkaloids

Marat K. Ibrayev, Оralgazy A. Nurkenov, Zhanara B. Rakhimberlinova, Altynaray T. Takibayeva, Irina V. Palamarchuk, Dastan M. Turdybekov, Assel A. Kelmyalene, Ivan V. Kulakov

Subject: Chemistry, Organic Chemistry Keywords: allylisothiocyanate; 1,2-dibromo-3-isothiocyanatopropane; 3,5-dimethyl-1H-pyrazole; intramolecular heterocyclization; 5-(bromomethyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dihydrothiazole; alkaloid cytisine; alkaloid salsoline

Online: 26 October 2022 (09:53:38 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0402.v1

q-RASAR Modeling of Cytotoxicity of TiO₂-based Multi-component Nanomaterials

Arkaprava Banerjee, Supratik Kar, Agnieszka Gajewicz-Skretna, Kunal Roy

Subject: Chemistry, Other Keywords: QSAR; q-RASAR; random forest; machine learning; TiO2-based nanoparticles

Online: 26 October 2022 (07:36:50 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0398.v1

A Theoretical and Experimental Study of Cysteine-Based Perfluorinated Derivatives

Sisa Chalán-Gualán, Iván Ramos-Tomillero, Thibault Terencio, Lola De Lima, Daniela G. Navas-León, Nelson Santiago Vispo, Fernando Albericio, Hortensia HR Rodriguez

Subject: Chemistry, Organic Chemistry Keywords: Perfluorinated derivatives; Nucleophilic Aromatic Substitution; Bioconjugation; IR and 19F-NMR simulations; Molecular Docking

Online: 26 October 2022 (04:01:55 CEST)

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Preprint REVIEW | doi:10.20944/preprints202210.0388.v1

Iridium-based Electrocatalysts for Acidic Oxygen Evolution Reaction: Engineering Strategies to Enhance the Activity and Stability

Hongzhe Xu, Yun Han, Qin Li, Xuecheng Yan

Subject: Chemistry, Electrochemistry Keywords: oxygen evolution reaction; water electrolysis; iridium-based catalysts; engineering strategy; acidic OER

Online: 25 October 2022 (10:56:06 CEST)

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Preprint REVIEW | doi:10.20944/preprints202210.0387.v1

Seaweed Extracts as Bio-stimulants for Rice Plant (Oryza sativa) – a Review

Siti Zaleha Abd Tahar, Siew Eng How, Mok Sam Lum, Noumie Surugau

Subject: Chemistry, Applied Chemistry Keywords: bio-stimulant; seaweed liquid extract; rice; Oryza sativa; plant growth promoter

Online: 25 October 2022 (10:55:27 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0380.v1

Synthesis, Properties and Spatial Structure of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cytisine

Marat K. Ibrayev, Оralgazy A. Nurkenov, Zhanara B. Rakhimberlinova, Altynaray T. Takibayeva, Dastan M. Turdybekov, Tulegen M. Seilkhanov, Meruyert B. Issabayeva, Assel A. Kelmyalene

Subject: Chemistry, Organic Chemistry Keywords: sulfo-derivatives of azoles; alkaloid cytisine; spatial structure; hemorheological activity; 1H; 13C; 2D NMR spectroscopy; X-ray diffraction analysis

Online: 25 October 2022 (07:33:55 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0372.v1

Study of the Carbochlorination Process with Cacl₂ and Water Leaching for the Extraction of Li, Co, and Ni From Spent Lithium-Ion Batteries

Yarivith C. González, Lorena Alcaraz, Francisco J. Alguacil, Lucía Barbosa, Jorge González, Félix A. A. López

Subject: Chemistry, Applied Chemistry Keywords: Keywords carbochlorination; spent lithium-ion batteries; circular economy; recycle; LiCl.

Online: 25 October 2022 (02:05:51 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0368.v1

Synthesis and Biological Activity of N-acyl Anabasine and Cytisine Derivatives With Adamantane, Pyridine and 1,2-azole Fragments

Gulim K. Mukusheva, Aigerym R. Zhasymbekova, Zharkyn Zh. Zhumagalieva, Roza B. Seidakhmetova, Оralgazy A. Nurkenov, Ekaterina A. Akishina, Sergey K. Petkevich, Evgenij A. Dikusar, Vladimir I. Potkin

Subject: Chemistry, Organic Chemistry Keywords: anabasine; amides; quaternary pyridinium salts; isoxazole; isothiazole; pyridine; adamantane; antiviral activity; antimicrobial activity; analgesic activity; cytisine

Online: 24 October 2022 (13:58:21 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0319.v1

Isolation and Characterization of Prophylactic Antimalarial Agents from Ochna kibbiensis Leaves

Amina Jega Yusuf, Musa Ismail Abdullahi, Ibrahim Nasir, Abdulmajeed Yunusa, Celestina Oluranti Alebiosu, Abubakar Alhaji Muhammad

Subject: Chemistry, Medicinal Chemistry Keywords: Ochna kibbiensis; antimalarial prophylaxis; in silico; ADMET

Online: 21 October 2022 (03:47:26 CEST)

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Preprint REVIEW | doi:10.20944/preprints202210.0212.v1

Catalytic Hydrolysis of Organophosphorus 1 Nerve Agents by Metal-organic Frameworks: What Happens Next?

Yunzhuo Li

Subject: Chemistry, Applied Chemistry Keywords: metal-organic frameworks; chemical warfare agents; catalytic hydrolysis

Online: 14 October 2022 (11:36:08 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0164.v1

Symmetry (Asymmetry) of the Molar Excess Gibbs Free Energy Function of The Binary Mixed Micelles of Bile Acid Anion and Classical Cationic Surfactant: Influence of Sterically Shielded and Sterically Unshielded Polar Groups of The Steroid Skeleton

Mihalj Poša

Subject: Chemistry, Physical Chemistry Keywords: conformation; steroid skeleton; surfactants; mixed micelles; bile salts; regular solution theory; thermodynamic stabilization; first neighbor intermolecular interactions

Online: 12 October 2022 (07:11:07 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0162.v1

Electrochemical Immunosensor Based on Carboxylated Graphene/SPCE for Igg-SARS-Cov-2 Nucleocapsid Determination

Walter Brito, Luciana Freire, Camila Ruzo, Bárbara Salgado, Ariamna María Dip Gandarilla, Yonny Romaguera-Barcelay, Ana Tavares, Maria Goreti Ferreira Sales, Isabelle Cordeiro, Jaila Lalwani, Robert S. Matos, Henrique Duarte da Fonseca Filho, Spartaco Astolfi-Filho, Pritesh Lalwani, Ştefan Ţălu

Subject: Chemistry, Electrochemistry Keywords: Immunosensor; SARS-CoV-2; N-protein

Online: 12 October 2022 (03:28:14 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0113.v1

Copper-Catalyzed Homocoupling of Boronic Acids: A focus on B-to-Cu and Cu-to-Cu Transmetalations

Aude Salamé, Jordan Rio, Ilaria Ciofini, Lionel Perrin, Laurence Grimaud, Pierre-Adrien Payard

Subject: Chemistry, General & Theoretical Chemistry Keywords: coupling reactions; copper; transmetalation; DFT; Reaction Mechanism; cyclic voltammetry

Online: 10 October 2022 (03:14:04 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202210.0053.v2

Uncertainty of Serum TSH and Thyroxine on Abbott Architect i1000sr from Internal Quality Control Data: Use in Results Interpretation and QC Frequency Planning

Khelil Mohamed Mokhtar

Subject: Chemistry, Medicinal Chemistry Keywords: Measurement uncertainty; thyroid function tests; quality control; sigma-metric

Online: 7 October 2022 (07:30:21 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0063.v1

Synthesis of Novel Indole Schiff Base Compounds and Their Antifungal Activities

Caixia Wang, Liangxin Fan, Zhenliang Pan, Sufang Fan, Lijun Shi, Xu Li, Jinfang Zhao, Lulu Wu, Guoyu Yang, Cuilian Xu

Subject: Chemistry, Organic Chemistry Keywords: Antifungal activities; synthesis; indole Schiff base derivatives; 1,3,4-thiadiazole

Online: 6 October 2022 (10:27:10 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202210.0053.v1

Uncertainty of Serum TSH and Thyroxine on Abbott Architect i1000sr from Internal Quality Control Data: Use in Results Interpretation and QC Frequency Planning

Khelil Mohamed Mokhtar

Subject: Chemistry, Medicinal Chemistry Keywords: Measurement uncertainty; thyroid function tests; quality control; sigma-metric

Online: 6 October 2022 (08:16:17 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202210.0019.v1

On the Origin of the Common Reactivity and Properties of Heme Peroxidases: A DFT Study

Daniel R. Ramos, Paul G. Furtmüller, Christian Obinger, Ángeles Peña-Gallego, Ignacio Pérez-Juste, J. Arturo Santaballa

Subject: Chemistry, Physical Chemistry Keywords: peroxidase; density functional calculations; compound I; compound II; ferryl oxygen; reduction potential.

Online: 4 October 2022 (11:00:26 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0405.v1

Effect of Sesame Oil Addition during Olive Oil Deep-frying

Evangelia Ioannou, Constantinos Georgiou

Subject: Chemistry, Food Chemistry Keywords: deep frying; olive oil; sesame oil; sesame lignans; Total Polar Compounds

Online: 27 September 2022 (03:11:31 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0384.v1

The Influence of Prebiotics on Wheat Flour, Dough, and Bread Properties; Resistant Starch, Polydextrose, and Inulin

Fereshteh Ansari, Tatiana Colombo Pimentel, Hadi Pourjafar, Salam A. Ibrahim, Seid Mahdi Jafari

Subject: Chemistry, Food Chemistry Keywords: prebiotics; resistant starch; inulin; polydextrose; farinography; extensography

Online: 26 September 2022 (08:32:33 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202209.0379.v1

Drone Delivery of Dehydro-Sulfurization Utilizing Doubly-Charged Negative Ions of Nanoscale Catalysts Inspired by the Biomimicry of Bee Species’ Bio-Catalysis of Pollen Conversion to Organic Honey

Kelvin L. Suggs, Duminda K. Samarakoon, Alfred Msezane

Subject: Chemistry, Other Keywords: fullerene; graphene; molybdenum disulfide; carbon nanotubes; catalysts; density functional theory; enzymes; honeybee biomimicry; drones; depollution; doubly-charged negative ions

Online: 26 September 2022 (05:40:20 CEST)

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Preprint REVIEW | doi:10.20944/preprints202209.0363.v1

Metal Coordination Effects on the Photophysics of Dipyrrinato Photosensitizers

Paula C. P. Teeuwen, Zoi Melissari, Mathias O. Senge, René M. Williams

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: Photochemistry; Photophysics; Coordination Chemistry; Metal atom effect; Photodynamic Therapy; Triplet Photosensitizer; Dipyrrinato Complexes; Singlet Oxygen Generation; Triplet-triplet Annihilation; Heavy atom effect.

Online: 23 September 2022 (09:14:36 CEST)

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Preprint REVIEW | doi:10.20944/preprints202209.0320.v1

The Tetrahydrofuran Motif in Marine Lipids and Terpenes

Paula González-Andrés, Laura Fernández-Peña, Carlos Díez-Poza, Asunción Barbero

Subject: Chemistry, Organic Chemistry Keywords: marine natural products; oxygen heterocycles; tetrahydrofuran; total synthesis; biological activity; terpenes; fatty acids.

Online: 21 September 2022 (10:04:09 CEST)

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Preprint REVIEW | doi:10.20944/preprints202209.0305.v1

Leucosceptosides A and B: Two Phenyl-ethanoid Glycosides with Important Occurrence and Biological Activities

Claudio Frezza, Daniela De Vita, Chiara Toniolo, Fabio Sciubba, Lamberto Tomassini, Alessandro Venditti, Armandodoriano Bianco, Mauro Serafini, Sebastiano Foddai

Subject: Chemistry, Organic Chemistry Keywords: Leucosceptoside A; Leucosceptoside B; occurrence in plants; biological activities

Online: 20 September 2022 (10:34:18 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0293.v1

Phase Behavior of Ion-Containing Polymers in Polar Solvents: Predictions from a Liquid-State Theory with Local Short-Range Interactions

Yanwei Wang, Qiyuan Qiu, Arailym Yedilbayeva, Diana Kairula, Liang Dai

Subject: Chemistry, Physical Chemistry Keywords: charged polymers; polymer solutions; electrostatic interactions; counterion; water-soluble polymers; theory

Online: 20 September 2022 (05:12:14 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0218.v1

Potential Inhibitors of EGFR Tyrosine Kinase from Scutellaria baicalensis: A Cheminformatics and Molecular Docking Studies

Amina J. Yusuf, Abayomi E. Adegboyega, Abdulbasit H. Yakubu, Grace I. Johnson, Rita O. Asomadu, Mary N. Adeduro, Ifeoma F. Chukwuma, Chinenye J. Ugwah-Oguejiofor, Olayinka S. Okoh, Afrah F. Alkhuriji, Wafa Abdullah I. Al-Megrin, Michel De Waard, Gaber El-Saber Batiha, Titilayo O. Johnson

Subject: Chemistry, General & Theoretical Chemistry Keywords: Scutellaria baicalensis; phytochemicals; glioblastoma multiforme; in silico

Online: 15 September 2022 (03:55:58 CEST)

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Preprint REVIEW | doi:10.20944/preprints202209.0201.v1

Mind the Gap – Deciphering GPCR Pharmacology Using 3D Pharmacophores and Artificial Intelligence

Theresa Clare Noonan, Katrin Denzinger, Valerij Talagayev, Yu Chen, Kristina Puls, Clemens Alexander Wolf, Sijie Liu, Trung Ngoc Nguyen, Gerhard Wolber

Subject: Chemistry, Medicinal Chemistry Keywords: ligand-based pharmacophores; structure-based pharmacophores; virtual screening; drug design; machine learning; molecular dynamics; de novo design

Online: 14 September 2022 (09:10:58 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0188.v1

Ángela García-García, Jesus Vicente de Julián-Ortiz, Jorge Gálvez, David Font, Carles Ayats, María del Remedio Guna Serrano, Carlos Muñoz-Collado, Rafael Borrás, José Manuel Villalgordo

Subject: Chemistry, Medicinal Chemistry Keywords: MTBC; virtual screening; topological indices; linear discriminant analysis; pharmacological activity distribution diagrams; antimicrobial drugs; drug design

Online: 14 September 2022 (03:32:55 CEST)

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Preprint REVIEW | doi:10.20944/preprints202209.0183.v1

Towards Substitution of Hexane as Extraction Solvent of Food Products and Ingredients with No Regrets

Christian Cravotto, Anne-Sylvie Fabiano-Tixier, Ombéline Claux, Christine McAlinden, Maryline Abert-Vian, Silvia Tabasso, Giancarlo Cravotto, Farid Chemat

Subject: Chemistry, Food Chemistry Keywords: hexane; toxicity; 2,5-hexanedione; food industry; alternative extraction methods

Online: 14 September 2022 (02:36:04 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0138.v1

Uranium(VI) Retention onto Hardened Cement Paste under High Saline and Alkaline Conditions

Nathalie Macé, Jacques Page, Pascal E. Reiller

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: radionuclide; uranyl; retention; cementitious media; saline plume; NaNO3; luminescence; TRLFS

Online: 9 September 2022 (13:31:00 CEST)

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Preprint REVIEW | doi:10.20944/preprints202209.0073.v1

Analytical Methods for Oxalate Quantification: The Ubiquitous Organic Anion

Bryan Misiewicz, Adam L. VanWert

Subject: Chemistry, Analytical Chemistry Keywords: oxalate; oxalic acid

Online: 6 September 2022 (02:43:57 CEST)

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Preprint REVIEW | doi:10.20944/preprints202209.0048.v1

Potential Utilization of Bacterial Consortium of Symbionts Marine Sponges in Removing Pollutants Global Trends: A Review

Ismail Marzuki, Rosmiati Rosmiati, Akhmad Mustafa, Sahabuddin Sahabuddin, Tarunamulia Tarunamulia, Endang Susianingsih, Erfan Andi Hendrajat, Andi Sahrijanna, Muslimin Muslimin, Erna Ratnawati, Kamariah Kamariah, Khairun Nisaa, Susila Herlambang, Sri Gunawan, Idum Satia Santi, Bambang Heri Isnawan, Ernawati Syahruddin Kaseng, Early Septiningsih, Ruzkiah Asaf, Admi Athirah, Basri Basri

Subject: Chemistry, Chemical Engineering Keywords: removal; PAHs; heavy metals; marine sponges; bacterial consortium

Online: 5 September 2022 (07:43:34 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0026.v1

Characterization of Polyphenolic Compounds from Bacopa Procumbens and Their Effects on Wound Healing Process

Adriana Martinez-Cuazitl, María del Consuelo Gómez-García, Oriana Hidalgo-Alegria, Olivia Medel-Flores, José Alberto Núñez-Gastélum, Eduardo San Martín Martínez, Ada María Ríos-Cortés, Mario Garcia-Solis, David Guillermo Pérez-Ishiwara

Subject: Chemistry, Medicinal Chemistry Keywords: Bacopa procumbens HPLC characterization; effect of polyphenolic compounds; in vitro and in vivo skin wound; collagen organization

Online: 1 September 2022 (15:44:09 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0017.v1

Application of Reichardt’s Solvent Polarity Scale [E_T(30)] in the Selection of Bonding Agents for Composite Solid Rocket Propellants

Franco Cataldo

Subject: Chemistry, Applied Chemistry Keywords: Bonding agents (BA); composite solid rocket propellants (CSRP); Reichardt’s ET(30) polarity scale; mechanical properties of CSRP.

Online: 1 September 2022 (09:25:21 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0543.v1

Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Refractivity and Polarizability of Organic Molecules

Rudolf Naef, William E. Acree Jr.

Subject: Chemistry, Physical Chemistry Keywords: group-additivity method; Gauss-Seidel diagonalization; refractivity; polarizability; ionic liquids; silanes; boranes

Online: 31 August 2022 (09:05:45 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0489.v1

Molecular Hybrids of Pyrazolo[3,4-b]Pyridine and Triazole: Design, Synthesis and in vitro Antibacterial Studies

Narasimha Rao Bandaru, Parameshwar Makam, Parameswari Akshinthala, Naresh Kumar Katari, Venkanna Banoth, Balakrishna Kolli, Rambabu Gundla

Subject: Chemistry, Organic Chemistry Keywords: pyrazolo[3,4-b]pyridine; triazole; in vitro; anti-bacterial; S. Aureus; K. Pneumoniae

Online: 29 August 2022 (10:51:23 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0433.v1

Spiropyran/Merocyanine Amphiphile in Various Solvents: A Joint Experimental–Theoretical Approach to Photophysical Properties and Self-Assembly

Vladyslav Savchenko, Nino Lomadze, Svetlana Santer, Olga Guskova

Subject: Chemistry, Physical Chemistry Keywords: spiropyran/merocyanine isomerization; negative photochromism; time-resolved UV-vis measurements; molecular modeling

Online: 25 August 2022 (10:22:35 CEST)

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This joint experimental-theoretical work focuses on molecular and photophysical properties of the spiropyran-containing amphiphilic molecule in organic and aqueous solutions. Being dissolved in tested organic solvents, the system demonstrates positive photochromism, i.e. upon UV stimulus the colorless spiropyran form is transformed into colorful merocyanine isomer. However, aqueous solution of the amphiphile possesses a negative photochromism: the orange-red merocyanine form turns to be thermodynamically more stable in water, and both UV and vis stimuli lead to the partial or complete photobleaching of the solution. The explanation of this phenomenon is given on the basis of density functional theory calculations and classical modeling including thermodynamic integration. The simulations reveal that stabilization of merocyanine in water proceeds with the energy of ca. 70 kJ mol−1, and that the Helmholtz free energy of hydration of merocyanine form is 100 kJ mol−1 lower as compared to the behavior of SP isomer in water. The explanation of such a difference lies in the molecular properties of the merocyanine: after ring-opening reaction this molecule transforms into a zwitterionic form, as evidenced by the electrostatic potential plotted around the opened form. The presence of three charged groups on the periphery of a flat conjugated backbone stimulates the self-assembly of merocyanine molecules in water, ending up with the formation of elongated associates with stack-like building blocks, as shown in molecular dynamics simulations of the aqueous solution with the concentration above critical micelle concentration. Our quantitative evaluation of the hydrophilicity switching in spiropyran/merocyanine containing surfactants may prompt the search for new systems, including colloidal and polymeric ones, aiming at remote tuning of their morphology, which could give new promising shapes and patterns for the needs of modern nanotechnology.

Preprint ARTICLE | doi:10.20944/preprints202208.0373.v1

Detection and Verification of a Key Intermediate in an Enantioselective Peptide Catalyzed Acylation Reaction

Matthias Brauser, Tim Heymann, Christina Marie Thiele

Subject: Chemistry, Analytical Chemistry Keywords: acylation; imidazolium ion; mass spectrometry; NMR spectroscopy; organocatalysis

Online: 22 August 2022 (04:10:03 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0352.v1

A Novel Mitophagy Enhancer Protects Cardiomyocytes against Hypoxia/Reoxygenation

Xin Yan, Xiang Gao, Shanshan Hou, Steffen Jockusch, K Michael Gibson, Lanrong Bi

Subject: Chemistry, Medicinal Chemistry Keywords: Oxidative Stress, Free radical scavenging, Autophagy, Ischemia/reperfusion injury, Hypox-ia/reoxygenation, Mitophagy

Online: 18 August 2022 (14:33:17 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0289.v1

Photocatalytically Active Supramolecular Organic-inorganic Magnetic Composites as Efficient Route to Remove β-lactam Antibiotics from Water

Sabina Gabriela Ion, Octavian D. Pavel, Nicolae Guzo, Madalina Tudorache, Simona M. Coman, Vasile I. Parvulescu, Bogdan Cojocaru, Elisabeth E. Jacobsen

Subject: Chemistry, Applied Chemistry Keywords: layered double hydroxides; magnetic nanoparticles; phthalocyanines; antibiotics removal

Online: 16 August 2022 (11:12:42 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0271.v1

A Non-enzymatic Electrochemical Sensor of Cu@Co-MOF Composite for Glucose Detection with High Sensitivity and Selectivity

Zhen-Zhen Ma, Bing Liu, Huang Jiao, Ling Xu

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: non-enzymatic sensor; glucose; cobalt metal-organic framework; electrochemical detection

Online: 16 August 2022 (03:26:09 CEST)

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Preprint CASE REPORT | doi:10.20944/preprints202208.0269.v1

The Dark Universe Cosmology

Yang Immanuel Pachankis

Subject: Chemistry, Electrochemistry Keywords: white hole; black hole; nuclear astrophysics; black hole seeds; quantum fluctuation; thermal fluctuation; temporal information; time curvatures; quantum forces; NGC 3034; NGC 3372

Online: 15 August 2022 (15:42:57 CEST)

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Preprint REVIEW | doi:10.20944/preprints202208.0230.v1

Progress and Impact of Latin American Natural Product Databases

Alejandro Gómez-García, Jose L. Medina-Franco

Subject: Chemistry, General & Theoretical Chemistry Keywords: chemoinformatics; compound databases; chemical space; diversity; drug discovery; openscience; pseudo-natural product

Online: 12 August 2022 (08:39:40 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0217.v1

Ferromagnetic Coupling and Single-Ion Magnet Phenomenon in Mononuclear Ruthenium(Iii) Complexes Based on Guanine Nucleobase

Marta Orts-Arroyo, Nicolás Moliner, Francesc Lloret, José Martínez-Lillo

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: Ruthenium; crystal structures; ferromagnetic coupling; molecular magnetism; single-ion magnet.

Online: 11 August 2022 (11:41:41 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0167.v1

Analysis of the Composition of Bromide Anion Oxidation Products in Aqueous Solutions with Different pH via Rotating Ring-Disk electrode Method

Roman Pichugov, Dmitry Konev, Ivan Speshilov, Lilia Abunaeva, Mikhail Petrov, Mikhail Vorotyntsev

Subject: Chemistry, Electrochemistry Keywords: ring rotating disk electrode (RRDE); voltametric analysis; flow battery, bromide oxidation)

Online: 9 August 2022 (03:32:02 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0126.v1

Encapsulation Studies and In Silico Identification of Protein Targets Associated to the Insecticide Activity of Eugenol Derivatives

Maria José G. Fernandes, Renato B. Pereira, Ana Rita O. Rodrigues, Tatiana F. Vieira, A. Gil Fortes, David M. Pereira, Sérgio F. Sousa, Elisabete M. S. Castanheira, M. Sameiro Gonçalves

Subject: Chemistry, Applied Chemistry Keywords: Eugenol; Essential oils; Nanoencapsulation; Biopesticides; Insecticides; Odorant binding proteins; Inverted virtual screening

Online: 5 August 2022 (14:43:22 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0110.v1

Cytoprotective Activity of Newly Synthesized 3-(arylmethyl)-6-methyl-4-phenylpyridin-2(1H)-ones derivatives

Shynggys Sergazy, Zarina Shulgau, Aigerim Zhulikeyeva, Yerlan Ramankulov, Irina V. Palamarchuk, Ivan V. Kulakov

Subject: Chemistry, Organic Chemistry Keywords: 3-aminopyridin-2(1H)-one derivatives; 3-(arylmethyl)-6-methyl-4-phenylpyridin-2(1H)-ones; antiradical activity; cytoprotective activity

Online: 4 August 2022 (14:12:03 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0103.v1

Oxidized Resveratrol Metabolites as Potent Antioxidants and Xanthine Oxidase Inhibitors

Orinamhe G. Agbadua, Norbert Kúsz, Róbert Berkecz, Tamás Gáti, Gábor Tóth, Attila Hunyadi

Subject: Chemistry, Medicinal Chemistry Keywords: Resveratrol; antioxidant metabolism; scavengome; biomimetic oxidation; bioactivity-guided isolation; NMR spectroscopy; xanthine oxidase

Online: 4 August 2022 (05:33:52 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0074.v1

Anti-Cancer In Vivo and In Vitro Evaluations of Combinations of Cisplatin and Masticadienonic Acid Isolated from Amphypterygium Adstringens

Mariano Martínez-Vázquez

Subject: Chemistry, Medicinal Chemistry Keywords: cisplatin; masticadienonic acid; Amphypterygium adstringens; antitumor; xenograft

Online: 3 August 2022 (07:36:50 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0069.v1

Novel Synthesis Methods of New Imidazole-Containing Coordination Compounds and Salts Tc(IV, V, VII) – Reaction Mechanism, XRD and Hirshfeld Surface Analysis

Mikhail Alexandrovich Volkov, Anton Petrovich Novikov, Mikhail Semenovich Grigoriev, Alexander Mikhailovich Fedoseev, Konstantin Eduardovich German

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: technetium; imidazole; technetyl; XRD-analysis; Hirshfeld surface analysis; π-interactions; met-al-nitrogen bond; supramolecular chemistry

Online: 3 August 2022 (03:29:49 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0049.v1

Structure and Reactivity of CoFe2O4(001)surfaces in Contact with a Thin Water Film

Tim Kox, Amir Hossein Omranpoor, Stephane Kenmoe

Subject: Chemistry, Physical Chemistry Keywords: molecular dynamis; spinels; water adsorption

Online: 2 August 2022 (08:18:40 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202208.0020.v1

Electrochemical Sensors for Digital Medicine and Biology Electrochemical Digitization of Analytical Information Biological Fluids Samples

Sergey Volodarovich Sokolkov

Subject: Chemistry, Electrochemistry Keywords: electrochemistry; analytical signal; noise; trends; identification; classification; fluids samples

Online: 1 August 2022 (10:19:30 CEST)

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Preprint SHORT NOTE | doi:10.20944/preprints202207.0367.v1

Tris(m2-carbonyl)-octacarbonyl-triphenylphosphite-tetracobalt

Isabelle Jourdain, Knorr Michael, Strohmann Carsten, Scheel Rebecca

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: cobalt; carbonyl; triphenylphosphite; crystal structure; molecular cluster.

Online: 25 July 2022 (09:29:18 CEST)

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Preprint REVIEW | doi:10.20944/preprints202207.0355.v1

Thin-Layer Chromatography (TLC) in Screening of Botanicals – its Versatile Potential and Selected Applications

Teresa Kowalska, Mieczysław Sajewicz

Subject: Chemistry, Analytical Chemistry Keywords: TLC screening of plants; TLC screening of psychoactive plants; TLC-direct bioautography; effect directed detection; chemotaxonomy of plants; quality control of medicinal plants; quality control of alimentary products; quality control of cosmetic products

Online: 25 July 2022 (07:50:57 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0346.v1

Hydrophilic Antimicrobial Coatings for Medical Leathers from Silica-Dendritic Polymer-Silver Nanoparticle Composite Xerogels

Michael Arkas, Georgia Kythreoti, Evangelos P. Favvas, Konstantinos Giannakopoulos, Nafsica Mouti, Marina Arvanitopoulou, Ariadne Athanasiou, Marilina Douloudi, Eleni Nikoli, Michail Vardavoulias, Marios Dimitriou, Ioannis Karakasiliotis, Victoria Ballén, Sara M. Soto

Subject: Chemistry, Applied Chemistry Keywords: dendrimers; hyperbranched; poly (ethylene imine); xerogels; antibacterial; SARS COVID-19 virus; antibiofilm; antiviral; water permeability; surface hydrophilicity

Online: 25 July 2022 (04:38:06 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0340.v1

Antioxidant Properties of Sesamum indicum Seeds using Different Solvents

Blessed Agbemade, Theophilus Fadjare Frempong, And Mercy Badu

Subject: Chemistry, Food Chemistry Keywords: dietary plants; medicinal plants; extraction; solvent; phytoconstituents; antioxidants; anti-nutrients; radical scavenging

Online: 22 July 2022 (13:16:10 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0199.v1

Effect of Ga₂O₃ Addition on the Properties of Garnet-type Ta-doped Li₇La₃Zr₂O₁₂ Solid Electrolyte

Yusuke Yamazaki, Shotaro Miyake, Keigo Akimoto, Ryoji Inada

Subject: Chemistry, Electrochemistry Keywords: garnet; Li dendrite growth; solid electrolyte; solid state battery; Ga2O3 addition

Online: 13 July 2022 (11:06:32 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0087.v1

Nutritional Components of Millet Porridge Cooked by Different Electric Cookers based on Principal Component and Cluster Analyses

Jiali Zhang, Pengliang LI, Aixia Zhang, Wei Zhao, Shaohui Li, Yingying Liu, Jingke Liu

Subject: Chemistry, Food Chemistry Keywords: millet porridge; electric cooker; nutritional composition; principal component analysis; cluster analysis

Online: 6 July 2022 (04:38:57 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0080.v1

A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and Peptides

Dongbo Zhao, Shubin Liu, Dahua Chen

Subject: Chemistry, General & Theoretical Chemistry Keywords: density functional theory (DFT); information-theoretic approach (ITA); base pairs; peptides; molecular polarizability

Online: 6 July 2022 (03:04:51 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0055.v1

Defanging Chloroform – Mitigation of Deuterated Chloroform Decomposition to Stabilise Susceptible NMR Samples

Jan Teipel, Vera Gottstein, Eva Hölzle, Katja Kaltenbach, Dirk W. Lachenmeier, Thomas Kuballa

Subject: Chemistry, Analytical Chemistry Keywords: NMR; chemometrics; chloroform; phosgene; hydrochloric acid; sample degradation; pH-shift; protonation

Online: 5 July 2022 (03:53:09 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0052.v1

Development and Testing of Modified Alumina Catalysts for Hydrotreating Petroleum Gasoline Fraction

Balga Tuktin, Aizhan A. Omarova, Larissa R. Sassykova, Galymzhan T. Saidilda, Sendilvelan Subramanian, Marat I. Tulepov, Arlan Z. Abilmagzhanov

Subject: Chemistry, Chemical Engineering Keywords: alumina; catalysis; gasoline fraction of oil; hydrotreating; rare earth element; zeolite

Online: 4 July 2022 (10:39:29 CEST)

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Preprint REVIEW | doi:10.20944/preprints202207.0026.v1

Hervé and Krebs Type Magnetic Polyoxometalate Dimers

Aleksandar Kondinski, Abhishek Banerjee, Sib Sankar Mal

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: Polyoxometalates; polyoxotungstates; magnetism; synthesis; POMtronics; dimers

Online: 4 July 2022 (03:37:25 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0019.v1

Synthesis, Characterization of Magnetic Composites and Testing of Their Activity in Liquid-phase Oxidation of Phenol with Oxygen

Binara T. Dossumova, Tatyana V. Shakiyeva, Dinara Muktaly, Larissa R. Sassykova, Bedelzhan B. Baizhomartov, Sendilvelan Subramanian

Subject: Chemistry, Chemical Engineering Keywords: catalysts; iron oxides; cobalt; oxygen; oxidation; phenol; magnetic composites

Online: 1 July 2022 (16:42:17 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0014.v1

N-Formylsaccharin: A Sweet(able) Formylating Agent in Mechanochemistry

Federico Cuccu, Francesco Basoccu, Claudia Fattuoni, Andrea Porcheddu

Subject: Chemistry, Organic Chemistry Keywords: formamides; formylation; acylation; mechanochemistry; saccharin

Online: 1 July 2022 (12:47:45 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202207.0008.v1

Dehydro-Sulfurization Utilizing Doubly-Charged Negative Ions of Molybdenum Disulfide (MoS2), Graphene-Flake (GR-28), Armchair Carbon Nanotube (CNT 6,6), and Fullerene (C-60) as Catalysts for Depollution, Natural Resource Mining, and the Chemical Functiona

Kelvin L Suggs, Duminda K Samarakoon, Alfred Msezane

Subject: Chemistry, Other Keywords: fullerene, graphene, molybdenum disulfide, carbon nanotubes, catalysts, density functional theory, enzymes, honeybee biomimicry, drones, depollution, doubly-charged negative ions

Online: 1 July 2022 (08:12:59 CEST)

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Preprint REVIEW | doi:10.20944/preprints202206.0415.v1

3,4-Dihydro-2(1H)-Pyridones as Building Blocks of Synthetic Relevance

Sisa Chalán-Gualán, Vida Castro, Ruth Oropeza, Margarita Suárez, Fernando Albericio, Hortensia Rodríguez

Subject: Chemistry, Organic Chemistry Keywords: 3,4-DHPo; 1,4-DHPs; multicomponent reaction; non-conventional synthesis; synthetic precursors

Online: 30 June 2022 (06:11:45 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0379.v1

Porous TiO2/Carbon Dots Nanoflowers with Enhanced Surface Areas for Improving Photocatalytic Activity

Fengyan Song, Hao Sun, Hailong Ma, Hui Gao

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: porous TiO2; hybrid TiO2/CDs; photocatalysts; photodegradation; large surface areas

Online: 28 June 2022 (06:02:11 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202206.0366.v1

2-hydroxy-3-(1-(4-vinylbenzyl)imidazol-3-ium-3-yl)propane-1-sulfonate and 3-(4-vinylbenzyl)dimethylammonio)-2-hydroxypropane-1-sulfonate as New Zwitterionic Monomers

Jihen Ben-Hadj-Salem, Soufiane Touil, Jacques Rouden, Jérôme Baudoux, Bénédicte Lepoittevin

Subject: Chemistry, Organic Chemistry Keywords: monomer; zwitterionic; imidazolium; sulfonate; polymer

Online: 27 June 2022 (12:08:22 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0362.v1

Research of the Thermal Effect on the Fe-Cr-Al Alloy Foil in the Initial State and with the Supported Secondary Carrier

Bolatbek Khussain, Alexandr Brodskiy, Alexandr Sass, Vladimir Yaskevich, Irina Shlygina, Kenzhegul Rakhmetova, Svetlana Tungatarova, Atabek Khussain

Subject: Chemistry, Chemical Engineering Keywords: catalytic converters; waste gases; phosphating; oxidation

Online: 27 June 2022 (10:49:57 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0348.v1

Molecular Basis of Inhibitory Mechanism of Naltrexone and Its Metabolites through Structural and Energetic Analyses

Martiniano Bello

Subject: Chemistry, Medicinal Chemistry Keywords: Naltrexone; mu-opioid receptor; MD simulations; MMGBSA; binding free energy

Online: 27 June 2022 (04:09:30 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0321.v1

Coffee Leaf Tea from El Salvador: On-site Production Considering Influences of Processing on Chemical Composition

Marc C. Steger, Marina Rigling, Patrik Blumenthal, Valerie Segatz, Andrès Quintanilla-Belucci, Julia M. Beisel, Jörg Rieke-Zapp, Steffen Schwarz, Dirk W. Lachenmeier, Yanyan Zhang

Subject: Chemistry, Food Chemistry Keywords: coffee leaf tea; novel food; coffee by-products; Coffea arabica; caffeine; epigallocatechin gallate

Online: 23 June 2022 (09:22:46 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0281.v1

Distribution and Classification of Phosphorous Fractions and their Relationship with Soil Properties in Inceptisols of Prayagraj, Uttar Pradesh

Mutyalu Sheshu, Amreen Hasan, Arun Alfred David, Tarence Thomas, Akshitha Barthwal, Raghu Nandan Singh Khatna

Subject: Chemistry, Other Keywords: phosphorous; inceptisols; fractions; soilproperties

Online: 21 June 2022 (04:27:28 CEST)

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Preprint REVIEW | doi:10.20944/preprints202206.0193.v1

Potent Antibiotic Lemonomycin: A Glimpse of Its Discovery, Origin, and Chemical Synthesis

Ran Hong, Sha-Hua Huang, Shunan Tao, Yang Wang

Subject: Chemistry, Organic Chemistry Keywords: aminosugar; antibiotic; biosynthesis; glycosylation; lemonomycin; total synthesis

Online: 14 June 2022 (04:55:21 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0188.v1

Three New Stigmatellin Derivatives Reveal Biosynthetic Insights of its Side Chain Decoration

Dorothy A. Okoth, Joachim J. Hug, Ronald Garcia, Rolf Müller

Subject: Chemistry, Other Keywords: Stigmatellin; Myxobacteria; Biosynthesis; Natural Products; Secondary Metabolites

Online: 13 June 2022 (12:58:42 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0180.v1

Synthesis of Vanadium-Containing Catalytically Active Phases for Exhaust Gas Neutralizers of Motor Vehicles and Industrial Enterprises

Bolatbek Khussain, Alexandr Brodskiy, Alexander Alexander Sass, Kenzhegul Rakhmetova, Vladimir Yaskevich, Valentina Grigor’eva, Altay Ishmukhamedov, Anatoliy Shapovalov, Irina Shlygina, Svetlana Tungatarova, Atabek Khussain

Subject: Chemistry, Physical Chemistry Keywords: neutralizers; catalysts; vanadyl sulfate; aluminium oxide; oxidation of saturated hydrocarbons

Online: 13 June 2022 (10:00:35 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0144.v1

Ligand and Structure-Based Virtual Screening in Combination, to Evaluate Small Organic Molecules as Inhibitors for the XIAP Anti-apoptotic Protein: The Xanthohumol Hypothesis

Angeliki Mavra, Christos Petrou, Manos C. Vlasiou

Subject: Chemistry, Medicinal Chemistry Keywords: Molecular docking; molecular dynamics; pharmacophore; molecular modeling; XIAP protein; protein inhibitor; anticancer activity

Online: 9 June 2022 (11:08:29 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0126.v1

Development, Validation for Determination of Verteporfin by HPLC-DAD and Application to Real samples

Ahmet Ozgun DOGRAMACIOGLU, Cemile ÖZCAN

Subject: Chemistry, Analytical Chemistry Keywords: HPLC-DAD-UV; Verteporfin; ICH Q2 R; Validation

Online: 8 June 2022 (11:03:04 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0109.v1

An Advanced Approach for MgZnAl-LDH Catalysts Synthesis Used in Claisen-Schmidt Condensation

Rodica Zăvoianu, Silvana-Denisa Mihăilă, Bogdan Cojocaru, Madalina Tudorache, Vasile I. Pârvulescu, Octavian Dumitru Pavel, Solon Oikonomopoulos, Elisabeth Egholm Jacobsen

Subject: Chemistry, Chemical Engineering Keywords: Layered Double Hydroxides (LDH); mechano-chemical / co-precipitation synthesis; organic alkalis (tetramethylammonium hydroxides); memory effect; Claisen-Schmidt condensation; self-cyclohexanone condensation

Online: 8 June 2022 (03:23:29 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0082.v1

Studies on the Effects of Process Conditions on Separation of B1, B2 and B3 Vitamin Mixture Using HILIC and RPLC Chromatography

Marcin Chutkowski, Piotr Ziobrowski, Mateusz Przywara, Justyna Kamińska, Wojciech Zapała

Subject: Chemistry, Analytical Chemistry Keywords: HILIC chromatography; RPLC chromatography; B1 vitamin; B2 vitamin; B3 vitamin

Online: 6 June 2022 (10:01:49 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0055.v1

Tandem Transesterification-Esterification Reactions Using a Hydrophilic Sulfonated Silica Catalyst for the Synthesis of Wintergreen Oil from Acetylsalicylic Acid Promoted by Micro-wave Irradiation

Sandro Luiz Barbosa Dos Santos, David Lee Nelson, Milton Souza Freita, Wallans Torres Pio Dos Santos, Stanlei Ivair Klein, Giuliano Cesar Clososki, Franco Jazon Caires, Alexandre Pereira Wentz

Subject: Chemistry, Organic Chemistry Keywords: Sulfonated silica catalyst (SiO2-SO3H); methyl salicylate; green chemistry; methylating agent; deacetylation (acyl nucleophilic substitution); solid acid catalyst

Online: 6 June 2022 (03:45:09 CEST)

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Preprint REVIEW | doi:10.20944/preprints202206.0040.v1

Advanced Microsamples: Current Applications and Considerations for Mass Spectrometry-Based Metabolic Phenotyping Pipelines

Jayden Lee Roberts, Luke Whiley, Nicola Gray, Melvin Gay, Nathan G. Lawler

Subject: Chemistry, Other Keywords: Microsampling; sample miniaturisation; dried blood spot (DBS); dried plasma spot (DPS); dried serum spot (DSS); metabolic phenotyping; gas chromatography-mass spectrometry (GC-MS); liquid chromatog-raphy-mass spectrometry (LC-MS)

Online: 3 June 2022 (09:53:13 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202107.0327.v2

Modeling the Dual-Function Effects of Free Radical and Cationic Hybrid-Photopolymerization in Iodonium/Amine System

Jui-Teng Lin, Kuo-Ti Chen

Subject: Chemistry, Applied Chemistry Keywords: polymerization kinetics; photoinitiator; monomer conversion profile; synergistic effects

Online: 2 June 2022 (04:19:03 CEST)

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Preprint CONCEPT PAPER | doi:10.20944/preprints202205.0388.v1

Bringing Functional Context to Emerging Proximity-Mapping Proteomics Tools

Yimon Aye

Subject: Chemistry, Medicinal Chemistry Keywords: proximity labeling; spatial omics; functional proteomics; interactome mapping; electrophile signaling

Online: 30 May 2022 (06:13:07 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202112.0420.v3

Essential Terminology and Considerations for Validation of Non-targeted Methods

Kapil Nichani, Steffen Uhlig, Manfred Stoyke, Sabine Kemmlein, Franz Ulberth, Ilka Haase, Maik Döring, Stephan G. Walch, Petra Gowik

Subject: Chemistry, Analytical Chemistry Keywords: Non-targeted methods; method validation; food fraud; food authenticity; mass spectrometry; spectroscopy; NGS; NMR

Online: 23 May 2022 (11:10:00 CEST)

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Preprint REVIEW | doi:10.20944/preprints202205.0303.v1

Review of Boron Compounds in Lithium Batteries: Electrolyte, Anode, Cathode, Separator, and Battery Thermal Management System (BTMS)

Changlin Zheng

Subject: Chemistry, Electrochemistry Keywords: boron; lithium battery; lithium-ion batteries; cathode; anode; electrolyte; battery thermal management system (BTMS); battery performance

Online: 23 May 2022 (10:57:06 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202205.0206.v1

Chain Formation during Hydrogen Loss and Reconstruction in Non-Planar Polyaromatic Hydrocarbons

Yuri Tanuma, Paul Dunk, Toru Maekawa, Chris Ewels

Subject: Chemistry, Physical Chemistry Keywords: Nanobelts; PAH; polyaromatics; cyclic polymers; hydrogen loss; fullerenes; carbon chains

Online: 16 May 2022 (10:57:33 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202205.0139.v1

New Simple and Robust Method for Determination of Polarity of Deep Eutectic Solvents (DESs) by Means of Contact Angle Measurement

Łukasz Cichocki, Justyna Łuczak, Dorota Warmińska, Andrzej Przyjazny, Grzegorz Boczkaj

Subject: Chemistry, General & Theoretical Chemistry Keywords: DESs; polarity; hydrophobicity; contact angle; solvatochromism; materials characterization

Online: 10 May 2022 (10:26:38 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202205.0132.v1

The Effect of Entrapment Within SOL-Gel Magnetite on Carbonic Anhydrase

Vladimir Ivanovski, Olga Shapovalova, Andrey S. Drozdov

Subject: Chemistry, Physical Chemistry Keywords: magnetite; sol-gel; carbonic anhydrase; protein secondary structure; entrapment; infrared spectroscopy

Online: 10 May 2022 (10:00:22 CEST)

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Preprint SHORT NOTE | doi:10.20944/preprints202205.0129.v1

Bis(m-Iodo)-Tetrakis(O-Methyl N-Phenylthiocarbamate)-Tetraiodo-Dibismuth

Wafa Arar, Abderahim Khatyr, Michael Knorr, Carsten Strohmann, Annika Schmidt

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: Bismuth triiodide; thiocarbamate; thione; crystal structure; Hirshfeld analysis

Online: 10 May 2022 (08:44:17 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202205.0118.v1

Synthesis of Magnetic Bioactive Composites Thought Bio-Inspired Surface Modification

Alexander Volov, Liubov Shkodenko, Elena Koshel, Andrey S. Drozdov

Subject: Chemistry, Physical Chemistry Keywords: magnetite; dopamine; surface modification; hybrid materials; antibacterial agents.

Online: 9 May 2022 (13:47:08 CEST)

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CHEMISTRY