Search Subject Areas

Preprint ARTICLE | doi:10.20944/preprints202003.0267.v1

Binding Mechanism of Remdesivir to SARS-CoV-2 RNA Dependent RNA Polymerase

Leili Zhang, Ruhong Zhou

Subject: Chemistry, Physical Chemistry Keywords: COVID-19; SARS-CoV-2; RNA-dependent RNA polymerase (RdRp); remdesivir; homology model; molecular dynamics; free energy perturbation

Online: 17 March 2020 (04:07:15 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints202002.0438.v1

Simeprevir, Potential Candidate to Repurpose for Coronavirus Infection: Virtual Screening and Molecular Docking Study

Faezeh Sadat Hosseini, Massoud Amanlou

Subject: Chemistry, Medicinal Chemistry Keywords: COVID-19; Simeprevir; Protease inhibitor; Virtual screening; Docking

Online: 28 February 2020 (13:14:38 CET)

Show abstract| Share

Preprint ARTICLE | doi:10.20944/preprints201612.0007.v1

Modeling and Kinetics of Bioconversion and Chemical Properties (Wine and Vinegar) from Banana Pulp By-Products

Cyntia Akemi Tanaka, Flávia Imanishi Ruzon, Lucas Caldeirão Rodrigues Miranda, Diego Galvan, Wilma Aparecida Spinosa, Raúl Jorge Hernan Castro-Goméz

Subject: Chemistry, Food Chemistry Keywords: acetic fermentation; alcoholic fermentation; submerged process; volatile compounds; acetic bacteria

Online: 1 December 2016 (10:47:37 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints202103.0460.v3

Concerns Raised on Blood Group Determinants in Plasma Membrane Interaction of the SARS-CoV-2

Klaus Fiedler

Subject: Chemistry, Analytical Chemistry Keywords: Glycans; Coronaviridae; COVID-19; Organ Tropism

Online: 12 April 2021 (14:31:31 CEST)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints202204.0065.v1

Advances in the Developing of SARS-CoV-2 Mpro Inhibitors

Laura Agost-Beltrán, Sergio de la Hoz-Rodríguez, Lledó Bou-Iserte, Santiago Rodríguez, Adrián Fernández-de-la-Pradilla, Florenci V. González

Subject: Chemistry, Medicinal Chemistry Keywords: COVID-19; Main protease; Mpro; inhibitors

Online: 8 April 2022 (03:01:37 CEST)

Show abstract| Download PDF| Share

Working Paper REVIEW

Fighting the SARS CoV-2 (COVID-19) Pandemic with Soap

Narendra Kumar Chaudhary, Nabina Chaudhary, Manis Dahal, Biswash Guragain, Sumie Rai, Rahul Chaudhary, K.M. Sachin, Reena Lamichhane-Khadka, Ajaya Bhattarai

Subject: Chemistry, Applied Chemistry Keywords: COVID-19; SARS-Cov-2; soap; hand washing; WHO

Online: 7 May 2020 (13:48:05 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints202004.0334.v1

Molecular Docking and Molecular Dynamic Study of Two Viral Proteins Associated with SARS-CoV-2 with Ivermectin

Lenin Andres Gonzalez Paz, Carla A. Lossada, Luis S. Moncayo, Freddy Romero, J. L. Paz, Joan Vera-Villalobos, Aleivi E. Perez, Ernesto San-Blas, Ysaias J. Alvarado

Subject: Chemistry, Medicinal Chemistry Keywords: SARS-COV-2; folding/unfolding; antiparasitic; molecular docking; molecular dynamics; COVID-19; Ivermectin

Online: 19 April 2020 (06:56:09 CEST)

Show abstract| Download PDF| Share

Preprint CONCEPT PAPER | doi:10.20944/preprints201707.0095.v1

Has the Time Come for Preprints in Chemistry? A Perspective onto a Meaningful Change

Piera Demma Carà, Rosaria Ciriminna, Mario Pagliaro

Subject: Chemistry, Other Keywords: prepublishing; preprint; chemistry; open science

Online: 31 July 2017 (16:05:17 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints202004.0079.v1

Identification of Compounds from Nigella Sativa as New Potential Inhibitors of 2019 Novel Coronasvirus (Covid-19): Molecular Docking Study

Salim Bouchentouf, Noureddine Missoum

Subject: Chemistry, Medicinal Chemistry Keywords: COVID-19; Nigella Sativa; 6LU7; 2GTB; molecular docking; MOE software

Online: 7 April 2020 (08:58:42 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201708.0057.v1

Procedures for the GMP-Compliant Production and Quality Control of [¹⁸F]PSMA-1007—A Next Generation Radiofluorinated Tracer for the Detection of Prostate Cancer

Jens Cardinale, René Martin, Yvonne Remde, Martin Schäfer, Antje Hienzsch, Sandra Hübner, Anna-Maria Zerges, Heike Marx, Ronny Hesse, Klaus Weber, Rene Smits, Alexander Hoepping, Marco Müller, Oliver C. Neels, Klaus Kopka

Subject: Chemistry, Medicinal Chemistry Keywords: [18F]PSMA-1007; fluorine-18; PSMA; automation; prostate cancer; PET

Online: 17 August 2017 (06:10:57 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201704.0080.v1

Multimodal Metabolomics Combining UPLC-qToF-MS and GC-MS Data in Plasma and Brain Tissue

Amera A. Ebshiana, Stuart G. Snowden, Cristina Legido-Quigley

Subject: Chemistry, Analytical Chemistry Keywords: metabolomics; LC-MS; GC-MS; plasma; brain tissue

Online: 14 April 2017 (04:41:05 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints202006.0326.v1

Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat's claw) against the Main Protease 3CL^Pro of SARS-CoV-2 by Molecular Modeling

Andres F. Yepes-Pérez, Oscar Herrera-Calderon, José-Emilio Sánchez-Aparicio, Laura Tiessler-Sala, Jean-Didier Maréchal, Wilson Cardona-G

Subject: Chemistry, Medicinal Chemistry Keywords: 2019-nCoV; 3CLpro protein; Cat's Claw; Uncaria tomentosa; Molecular Modeling

Online: 28 June 2020 (09:05:54 CEST)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints202003.0372.v1

Inhibitors of SARS-CoV-2 Main Protease from a Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study

Davide Gentile, Vincenzo Patamia, Angela Scala, Maria Teresa Sciortino, Anna Piperno, Antonio Rescifina

Subject: Chemistry, Medicinal Chemistry Keywords: COVID-19; SARS-CoV-2; Marine natural product; Virtual screening; Docking

Online: 25 March 2020 (08:23:57 CET)

Show abstract| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201904.0263.v1

Macromolecular Modeling and Design in Rosetta: New Methods and Frameworks

Julia Koehler Leman, Brian D Weitzner, Steven M Lewis, RosettaCommons Consortium, Richard Bonneau

Subject: Chemistry, General & Theoretical Chemistry Keywords: structure prediction; Rosetta; computational modeling; protein design

Online: 24 April 2019 (10:16:38 CEST)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0128.v1

Synthesis of Polyaniline coated Graphene Oxide @ SrTiO3 Nanocube Nanocomposites for Enhanced Removal of Carcinogenic Dyes from Aqueous Solution

Syed Shahabuddin, Norazilawati Muhamad Sarih, Muhammad Afzal Kamboh, Hamid Rashidi Nodeh, Sharifah Mohamad

Subject: Chemistry, Other Keywords: graphene oxide; polyaniline; nanocomposites; adsorbent; methylene blue; methyl orange

Online: 11 August 2016 (11:29:12 CEST)

Show abstract| Download PDF| Supplementary Files| Share

Preprint REVIEW | doi:10.20944/preprints201710.0094.v1

Label Free Biosensor Methods in Detection of Food Pathogens and Listeria monocytogenes

Rajeswaran Radhakrishnan, Palmiro Poltronieri

Subject: Chemistry, Analytical Chemistry Keywords: Listeria monocytogenes; label-free biosensors; Surface Plasmon Resonance (SPR); Electrochemical Impedance Spectroscopy (EIS)

Online: 13 October 2017 (17:15:10 CEST)

Show abstract| Download PDF| Share

Preprint HYPOTHESIS | doi:10.20944/preprints202201.0364.v1

Storage of biochemical information as the start of life: A hypothetical model for the development of the first cell

Ulrich Schreiber

Subject: Chemistry, Organic Chemistry Keywords: origin of life; hydrothermal biochemistry, information storage, continental crust model, supercritical fluids, open system, binary proto-synthetase

Online: 25 January 2022 (04:17:03 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201611.0077.v1

New Insights into the State Trapping of UV-Excited Thymine

Ljiljana Stojanovic, Shuming Bai, Jayashree Nagesh, Artur F. Izmaylov, Rachel Crespo-Otero, Hans Lischka, Mario Barbatti

Subject: Chemistry, Physical Chemistry Keywords: computational theoretical chemistry; photochemistry; nonadiabatic dynamics; ultrafast processes; surface hopping; nucleobases; thymine

Online: 15 November 2016 (11:06:06 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint REVIEW | doi:10.20944/preprints201607.0057.v1

PARTICULATE MATTER: AN APPROACH TO AIR POLLUTION

Francis Olawale Abulude

Subject: Chemistry, Applied Chemistry Keywords: PM, pollution, environment, industrialization, health effects, standards

Online: 18 July 2016 (11:56:06 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201611.0021.v1

Molecularly Imprinted Quartz Crystal Microbalance Sensor (QCM) for Bilirubin Detection

Çiğdem Çiçek, Fatma Yılmaz, Erdoğan Özgür, Handan Yavuz, Adil Denizli

Subject: Chemistry, Other Keywords: molecular imprinting technique; bilirubin; QCM; PHEMA; nanosensor

Online: 2 November 2016 (17:34:43 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201901.0175.v1

Heterogeneous Catalysis Under Flow for the 21^st Century Fine Chemical Industry

Rosaria Ciriminna, Mario Pagliaro, Rafael Luque

Subject: Chemistry, Organic Chemistry Keywords: heterogeneous catalysis, flow chemistry, green chemistry, fine chemicals

Online: 17 January 2019 (08:37:02 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0013.v1

Potential Application of Modified α-Mangostin Xanthones from Garcinia mangostana as Antibacterial Agents in Food Packaging

Srinivasan Narasimhan, Shanmugam Maheshwaran, Palmiro Poltronieri, Imad A. Abu-Yousef, Amin F. Majdalawieh, Janarthanam Rethavathi, Prince Edwin Das

Subject: Chemistry, Medicinal Chemistry Keywords: α-mangostin; antibacterial; antifungal; food packaging; semi-synthetic modification

Online: 2 August 2016 (09:02:09 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201701.0085.v1

Fabric Phase Sorptive Extraction Explained

Abuzar Kabir, Rodolfo Mesa, Jessica Jurmain, Kenneth G. Furton

Subject: Chemistry, Analytical Chemistry Keywords: Fabric Phase Sorptive Extraction (FPSE); sol-gel; phenols; environmental pollution; sample preparation; microextraction

Online: 19 January 2017 (02:21:59 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201611.0075.v3

A Robust Liquid Chromatographic Method for Confirmation of Drug Stability of Azithromycin in Bulk Samples, Tablets and Suspensions

Alex O. Okaru, Kennedy O. Abuga, Franco N. Kamau, Stanley N. Ndwigah, Dirk W. Lachenmeier

Subject: Chemistry, Analytical Chemistry Keywords: azithromycin; HPLC; robust; isocratic; drug stability; degradation products

Online: 4 January 2017 (10:08:52 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0119.v1

A Novel Series of Thiazoles and 1,3,4-Thiadiazoles Bearing Thiazole Moiety as Anticancer Agents: Synthesis, Spectral Studies, Biological Evaluation and Structure Activity relationship

Sobhi M. Gomha, Nabila A. Kheder, Mohamad R. Abdelaziz, Yahia Nasser Mabkhot

Subject: Chemistry, Medicinal Chemistry Keywords: thiazoles; thiadiazoles; hydrazonoyl chlorides; anticancer activity; structure activity relationship

Online: 11 August 2016 (11:05:21 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0006.v1

Hydrochemical Characteristics and Water Quality Assessment of Surface Water at Xiahe County in Tibetan Plateau Pastoral of China

Qian Zhang, Shengli Wang, Muhammad Yousaf, Zhongren Nan, Shuixian Wang, Jianmin Ma, Depeng Wang, Fei Zang

Subject: Chemistry, Other Keywords: surface water; Tibetan Plateau pastoral area; Xiahe County; hydrochemical characteristics; fuzzy comprehensive method; water quality

Online: 2 August 2016 (04:20:00 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201705.0218.v1

Oleanolic Acid Induces p53 Dependent Apoptosis via the ERK/JNK/AKT Pathway in Cancer Cell Lines

Gyeong-Ji Kim, Hyeon-Ju Jo, Kang-Hyun Chung, Kwon-Jai Lee, Jeung Hee An

Subject: Chemistry, Food Chemistry Keywords: anticancer activity; apoptosis; oleanolic acid; cell cycle arrest; mapk signaling

Online: 31 May 2017 (11:28:30 CEST)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints201705.0115.v1

Metal Catalyzed Suzuki-Miyaura Cross-Coupling– Efficient Methodology for Synthesis the Natural and non-Natural biological active Molecules

Hira Israr, Shazia Kaousar, Nasir Rasool, Gulraiz Ahmad, Muhammad Nazirul Mubin Aziz, Muhammad Nadeem Akhtar, Noorjahan Banu Alitheen

Subject: Chemistry, Medicinal Chemistry Keywords: Palladium; Suzuki cross coupling; natural product; non-natural product

Online: 15 May 2017 (18:30:52 CEST)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints201608.0036.v1

Bioresponsive Hydrogels: Chemical Strategies and Perspectives in Tissue Engineering

Antonella Sgambato, Laura Cipolla, Laura Russo

Subject: Chemistry, Organic Chemistry Keywords: hydrogels; tissue engineering; bioconjugation

Online: 4 August 2016 (11:00:19 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201609.0075.v1

Selective Desulfonylation of Oxidized Sulfur Compounds in Crude Oil by Alcohol-Mediated Nucleophilic Attack Studied by XANES and XRF Spectroscopy

Jonathan Rankin, Kyle Litz, Sarah Briggs, Trent McCaskill, Michael Scudder, Syed Khalid, Raman Budhani

Subject: Chemistry, Applied Chemistry Keywords: desulfurization; desulfonylation; petroleum

Online: 22 September 2016 (10:27:48 CEST)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201902.0013.v1

Low-Cost Adsorbents Procedure by Means of Heavy Metal Elimination from Wastewater

Nayankanti Devanna, Baby Abrarunnisa Begum, M.Adharvana Chari

Subject: Chemistry, General & Theoretical Chemistry Keywords: Heavy metal; Agricultural waste; Low-cost adsorbent; Wastewater; Toxicity

Online: 1 February 2019 (10:33:23 CET)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints201610.0009.v1

Chemical Variability and Biological Activities of Eucalyptus spp. Essential Oils

Luiz Claudio Almeida Barbosa, Claudinei Andrade Filomeno, Robson Ricardo Teixeira

Subject: Chemistry, Organic Chemistry Keywords: Essential(s) oils; monoterpenes; insecticidal activity; antimicrobial activity; acaricide activity; herbicidal activity

Online: 4 October 2016 (16:08:09 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0221.v1

Dimacrolide Sesquiterpene Pyridine Alkaloids from the Stems of Tripterygium regelii

Dongsheng Fan, Guo-Yuan Zhu, Ting Li, Zhi-Hong Jiang, Li-Ping Bai

Subject: Chemistry, Organic Chemistry Keywords: Tripterygium regelii; dimacrolide sesquiterpene pyridine alkaloids; anti-inflammation

Online: 29 August 2016 (10:46:49 CEST)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0084.v2

Quantitative Detection of Trace Malachite Green in Aquiculture Water Samples by Extractive Electrospray Ionization Mass Spectrometry

Xiaowei Fang, Shuiping Yang, Konstantin Chingin, Liang Zhu, Xinglei Zhang, Zhiquan Zhou, Zhanfeng Zhao

Subject: Chemistry, Analytical Chemistry Keywords: extractive electrospray ionization; rapid detection; malachite green; water; mass spectrometry

Online: 11 August 2016 (10:00:17 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0086.v1

Identification and Characterization of Two New Forced Degradation Products of Saikosaponin a under the Stress of Acid Hydrolytic Condition

Jun Li, Qiang Xu, Hua Jiang

Subject: Chemistry, Medicinal Chemistry Keywords: Acid hydrolysis; Degradation product; Saikosaponin a

Online: 9 August 2016 (11:32:29 CEST)

Show abstract| Download PDF| Supplementary Files| Share

Preprint REVIEW | doi:10.20944/preprints201909.0020.v1

Phytoremediation of Polluted Waterbodies with Aquatic plants: Recent Progress on Heavy Metal and Organic Pollutants

Enyoh Christian, Isiuku Beniah

Subject: Chemistry, Analytical Chemistry Keywords: chemical pollutants; chemometrics; constructed wetlands; hydroponics; macrophytes; models; toxicity; water pollution

Online: 2 September 2019 (09:45:46 CEST)

Show abstract| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0120.v1

Large Scale Screening of Southern African Plant Extracts for the Green Synthesis of Gold Nanoparticles using Microtitre-Plate Method

Abdulrahman M. Elbagory, Christopher N. Cupido, Mervin Meyer, Ahmed Hussein

Subject: Chemistry, Other Keywords: green nanotechnology; gold nanoparticles; biosynthesis; high resolution transmission electron microscopy; Cape flora

Online: 11 August 2016 (09:53:19 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201609.0122.v1

Design, Synthesis and Biological Evaluation of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-4-Substituted-1H-indazoles as Potent Fibroblast Growth Factor Receptor Inhibitors

Zhen Zhang, Dongmei Zhao, Yang Dai, Maosheng Cheng, Meiyu Geng, Jingkang Shen, Yuchi Ma, Jing Ai, Bing Xiong

Subject: Chemistry, Medicinal Chemistry Keywords: Cancer; FGFR; Inhibitor; 4‐Substituted‐1H‐indazole

Online: 29 September 2016 (15:42:08 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0117.v1

Nuclear Magnetic Resonance and Headspace Solid-Phase Microextraction Gas Chromatography as Complementary Methods for the Analysis of Beer Samples

Sarah R. Johnson, Samantha E. Soprano, Laura M. Wickham, Neil Fitzgerald, John C. Edwards

Subject: Chemistry, Food Chemistry Keywords: beer; nuclear magnetic resonance; solid-phase microextraction; gas chromatography

Online: 11 August 2016 (11:04:58 CEST)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints201704.0137.v1

Kinetic Modelling at the Basis of Process Simulation for Heterogeneous Catalytic Process Design

Antonio Tripodi, Matteo Compagnoni, Rocco Martinazzo, Gianguido Ramis, Ilenia Rossetti

Subject: Chemistry, Chemical Engineering Keywords: process simulation; kinetic modelling; ammonia; methanol; bioethanol; steam reforming; ethylene

Online: 21 April 2017 (10:00:46 CEST)

Show abstract| Download PDF| Share

Preprint CASE REPORT | doi:10.20944/preprints201611.0134.v1

Ginkgo Biloba for Reducing Hyperlipideamia: Case Study

Ammal E. Ibrahim, Dhuha H. Fadhil, Alaa H. Jawad, Jnan Thabit, Rasha Alqadery, Emad Yousif, Ahmed Al-Amiery

Subject: Chemistry, Medicinal Chemistry Keywords: GINKGO; hyperlipideamia; lipid profile

Online: 27 November 2016 (04:43:15 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201611.0071.v1

Effect of Anti Diabetic Drugs on Lipid Profile in Patients with Type 2 Diabetes Mellitus

Alaa H. Jawad, Zyad H. Al-Qaisi, Ammal E. Ibrahim, Zainab S. Hallab, Abdualbasit Graisa, Ahmed Al-Amiery, Emad Yousif

Subject: Chemistry, Medicinal Chemistry Keywords: diabetes mellitus; metformin; glibenclamide and lipid profile

Online: 14 November 2016 (07:14:00 CET)

Show abstract| Download PDF| Share

Working Paper ARTICLE

Macromolecular Modeling and Design in Rosetta: New Methods and Frameworks

Julia Koehler Leman, Brian D Weitzner, Steven M Lewis, RosettaCommons Consortium, Richard Bonneau

Subject: Chemistry, General & Theoretical Chemistry Keywords: structure prediction; Rosetta; computational modeling; protein design

Online: 16 October 2019 (05:40:52 CEST)

Show abstract| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0062.v1

Antidiarrheal Thymol Derivatives from Ageratina glabrata. Structure and Absolute Configuration of 10-Benzoyloxy-8,9-epoxy-6-hydroxythymol Isobutyrate

Celia Bustos-Brito, Valeria J. Vázquez-Heredia, Fernando Calzada, Lilian Yépez-Mulia, José S. Calderón, Simón Hernández-Ortega, Baldomero Esquivel, Normand García-Hernández, Leovigildo Quijano

Subject: Chemistry, Other Keywords: Ageratina glabrata; thymol derivatives; antiprotozoal and antidiarrheal properties

Online: 6 August 2016 (11:26:06 CEST)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201610.0080.v1

M-Polynomials and Topological Indices of Titania Nanotubes

Shin Min Kang, Mobeen Munir, Abdul Rauf Nizami, Shazia Rafique, Waqas Nazeer

Subject: Chemistry, Analytical Chemistry Keywords: degree-based topological index; Zagreb index; general Randic index; symmetric division index; M-polynomial, titania nanotubes

Online: 19 October 2016 (12:44:36 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201609.0107.v1

Comprehensive Safety Evaluation of the Chemicals with Human and Environmental Relevance

Matteo Floris, Federica Albanese, Ricardo Medda, Emilio Benfenati

Subject: Chemistry, Other Keywords: QSAR, Toxicology

Online: 27 September 2016 (11:34:40 CEST)

Show abstract| Download PDF| Share

Reducing the levels of toxic chemicals that cause adverse health and environmental impacts is a challenge for the international community. There is a need of a global strategy. Indeed, too often the problems associated to the exposure of chemical substances is recognized a posteriori, in the presence of consequences already observed. The prediction of the likely effects of chemical exposure on human health is based on classical tests with animals, which are time and money consuming, may deviate from an accurate prediction towards humans, and arises ethical concerns. Regulations are now considering the adoption of in silico (or computational) methods, which can be used for prioritizing substances according to the probability to be toxic for the biosphere. Several initiatives have prioritized chemicals, typically based according to some criteria, such as chemicals which may be endocrine disruptors, or persistent, bioaccumulative, or toxic (PBT). However, these initiatives focused on a certain range of adverse properties, and covered a certain number of substances only. We applied a set of largely validated and widely used predictive methods to large collections of chemicals: (i) to about 340,000 with a defined function, and (ii) to about 6 millions, which have been synthetized. The aim of this study is to quantify the putative impact of existing and future chemicals on towards human health, ecological and environment properties. The impact on the environment is the cause of major concern. This is the case of pesticides and hazardous, which is quite expected; however, also pharmacologically active candidate compounds of natural origin may have a high level of ecotoxicity. Pesticides and hazardous are also the categories of higher concern for humans, followed by pharmaceuticals. The pesticides and the hazardous are the categories of higher concern also on the environmental point of view. The results of our analysis could be the basis for the identification of new safety rules.

Preprint ARTICLE | doi:10.20944/preprints201608.0076.v1

Electrochemical Behavior and Determination of Chlorogenic Acid Based on Carbon Nanotubes Modified Screen-Printed Electrode

Xiao-Yan Ma, Hong-Qiao Yang, Hua-Bing Xiong, Xiao-Fen Li, Jing-Ting Gao, Yun-Tao Gao

Subject: Chemistry, Analytical Chemistry Keywords: Chlorogenic acid; screen-printed electrode; carbon nanotubes

Online: 8 August 2016 (12:07:57 CEST)

Show abstract| Download PDF| Share

Preprint COMMUNICATION | doi:10.20944/preprints201610.0106.v1

A Validated HPLC Method for the Determination of Vanillyl Butyl Ether in Cosmetic Preparations

Antonio Alberola, Francisco Trigo, Joaquin Melendez, Gema Muedra

Subject: Chemistry, Analytical Chemistry Keywords: vanillyl butyl ether; HPLC; method validation; cosmetic product

Online: 25 October 2016 (09:43:18 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201701.0053.v2

Enantioselective Transamination in Continuous Flow Mode with Transaminase Immobilized in a Macrocellular Silica Monolith

Ludivine van den Biggelaar, Patrice Soumillion, Damien P. Debecker

Subject: Chemistry, Chemical Engineering Keywords: chiral amines; biocatalysis; silica monolith; enzyme immobilization; flow chemistry

Online: 13 February 2017 (09:02:56 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint REVIEW | doi:10.20944/preprints201609.0015.v1

Current Research on the Speciation and Determination of Mercury in Different Environmental Matrices Using Various Analytical Instruments

Lakshmi Narayana Suvarapu, Sung-Ok Baek

Subject: Chemistry, Analytical Chemistry Keywords: speciation; mercury; analytical instruments; speciation; environmental samples

Online: 5 September 2016 (10:43:33 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0145.v1

Neuroprotective Effects of Methyl 3,4-Dihydroxybenzoate Against TBHP-Induced Oxidative Damage in SH-SY5Y Cells

Liang Cai, Li-Fang Wang, Jun-Ping Pan, Xiang-Nan Mi, Zheng Zhang, Hai-Ju Geng, Jia-Hui Wang, Song-Hui Hu, Wei Zhang, Qin Gao, Wu-Tian Wu, Huan-Min Luo

Subject: Chemistry, Medicinal Chemistry Keywords: methyl 3,4-dihydroxybenzoate; oxidative stress; apoptosis; neuroprotection; nuclear factor erythroid 2-related factor 2

Online: 15 August 2016 (10:42:05 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201703.0053.v1

A Study on Antitumor Effect of 1,3,4-Thiadiazole Derivatives in Prostate and Breast Cancer Cell Lines (In Vitro)

Firas Hassan, Nany Hairunisa, Salam A. Mohammed, Emad Yousif

Subject: Chemistry, Medicinal Chemistry Keywords: 1,3,4-Thiadiazole; 1,2,4-Triazole; synthesis; MTT assay; Cytotoxicity of Schiff base

Online: 10 March 2017 (10:11:56 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201705.0054.v1

Discrimination of Beer Based on E-tongue and E-nose Combined with SVM: Comparison of Different Variable Selection Methods by PCA, GA-PLS and VIP

Hong Men, Yan Shi, Songlin Fu, Yanan Jiao, Yu Qiao, Jingjing Liu

Subject: Chemistry, Electrochemistry Keywords: E-tongue; E-nose; data fusion; variable selection; patter recognition; beer

Online: 8 May 2017 (08:57:56 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201701.0095.v1

Visible Light-Induced Metal Free Surface Initiated Atom Transfer Radical Polymerization of Methyl Methacrylate on SBA-15

Liang Ma, Na Li, Jian Zhu, Xiao Dong Chen

Subject: Chemistry, Applied Chemistry Keywords: polymeric composite; surface initiated atom transfer radical polymerization; photo-induced; living radical polymerization; metal-free atom transfer radical polymerization

Online: 22 January 2017 (04:56:44 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201702.0015.v1

Solvent-Free Biginelli Reactions Catalyzed by Hierarchical Zeolite Utilizing Ball Mill Technique: Green Sustainable Process

Ameen Shahid, Nesreen S. Ahmed, Tamer S. Saleh, Shaeel A. Al-Thabaiti, Sulaiman N. Basahel, Wilhelm Schwieger, Mohamed Mokhtar

Subject: Chemistry, Applied Chemistry Keywords: Hierarchical; MFI27; Biginelli; dihydropyrimidinones; Ball mill

Online: 5 February 2017 (09:22:49 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201609.0110.v1

Hydrogen Generation from Catalytic Steam Reforming Bio-Oil Model Compound—Acetic Acid Employing Ni/attapulgite Catalysts Prepared with Different Preparation Methods

Yishuang Wang, Mingqiang Chen, Tian Liang, Jie Yang, Zhonglian Yang, Shaomin Liu

Subject: Chemistry, Chemical Engineering Keywords: hydrogen production; steam reforming; Ni/attapulgite; catalysts deactivation; agglomeration and sintering

Online: 28 September 2016 (10:14:11 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201705.0078.v1

Chemical Characterization of Oils and Fats from Amazonian Fruits by ¹H NMR

Ricardo Carvalho dos Santos, Antonio Alves de Melo Filho, Edvan Alves Chagas, Jacqueline Aparecida Takahashi, Ismael Fernández Montero, Luciana Chaves Holanda, Pedro Rômulo Estevam Ribeiro, Gabriel Franco dos Santos, Ana Cristina Gonçalves Reis de Melo

Subject: Chemistry, Food Chemistry Keywords: Euterpe oleracea; Astrocaryum acaule; Mauritia aculeata; Mauritia flexuosa; PUFA; MUFA

Online: 9 May 2017 (05:05:45 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201705.0216.v1

Recyclable Cu-MOF-74 Catalyst for Ligand-Free O-Arylation Reaction of 4-Nitrobenzaldehyde and Phenol

Pedro Leo, Gisela Orcajo, David Briones, Guillermo Calleja, Fernando Martínez

Subject: Chemistry, Applied Chemistry Keywords: MOF; catalyst; recyclable Cu-MOF-74; ligand-free; O-arylation reaction; 4-nitrobenzaldehyde; phenol; 4-formyldiphenyl ether

Online: 30 May 2017 (09:31:36 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0239.v1

Synthesis and Characterization of Dibutyltin Compounds with α-Amino Acids

Roberto Santos Barbiéri, Vilma Reis Terra, Allan Kardec Carlos Dias, Walclée De Carvalho Melo, Daniel Rodrigues Silva

Subject: Chemistry, Organic Chemistry Keywords: organotin compounds; dibutyltin compounds; tin α-amino acids compounds; thermal decomposition

Online: 31 August 2016 (10:43:02 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201611.0030.v1

Synthesis and Characterization of Ethylenedithio-MPTTF-PTM Radical Dyad as a Potential Neutral Radical Conductor

Manuel Souto, Dan Bendixen, Morten Jensen, Jan O. Jeppesen, Imma Ratera, Concepció Rovira, Jaume Veciana

Subject: Chemistry, Physical Chemistry Keywords: neutral organic radical; perchlorotriphenylmethyl radical; tetrathiafulvalene; donor-acceptor

Online: 4 November 2016 (14:19:09 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201611.0041.v1

Some Computational Aspects of Triangular Boron Nanotubes

Mobeen Munir, Waqas Nazeer, Shazia Rafique, Abdul Rauf Nizami, Shin Min Kang

Subject: Chemistry, Analytical Chemistry Keywords: M-polynomial; degree-based index; boron nanotubes

Online: 7 November 2016 (07:41:36 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201610.0107.v1

Electrochemical Biosensor Using Acetobacter Enzyme for Detecting Alcohol

Dyah Iswantini, Novik Nurhidayat, Indah R. Djukarsa

Subject: Chemistry, Other Keywords: alcohol oxidase (AOX); biosensor; halal products; cyclic voltammetry

Online: 25 October 2016 (09:46:35 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints202004.0084.v1

In silico Repositioning for Dual Inhibitor Discovery of SARS-CoV-2 (COVID-19) 3C-like Protease and Papain-like Peptidase

Kowsar Bagherzadeh, Kourosh Daneshvarnejad, Mohammad Abbasinazari, homa azizian

Subject: Chemistry, Medicinal Chemistry Keywords: in silico repositioning; dual inhibitor; Covid-19; 3CLpro; PLpro; remdesivir

Online: 7 April 2020 (10:44:11 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201705.0148.v1

Densities and Refractive Indices of Potassium Carbonate -Based Deep Eutectic Solvents with Dual Hydrogen Bond Donors at Several Temperatures (293.15 to 343.15 K)

Hosein Ghaedi, Muhammad Ayoub, Suriati Sufian, Azmi Mohd Shariff, Bhajan Lal

Subject: Chemistry, Chemical Engineering Keywords: DES; TDES; salt; HBD; density; refractive index

Online: 19 May 2017 (16:06:15 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0198.v1

Conformational Flexibility and the Interaction of Huperzine A in the Active Site of Acetylcholinesterase: A Quantum Chemical and Charge Density Study

Renuga Parameswari Azhagesan, Saravanan Kandasamy, Kumaradhas Poomani

Subject: Chemistry, General & Theoretical Chemistry Keywords: huperzine A-AChE; molecular docking; intermolecular interaction; quantum chemical calculation; charge density distribution; atomic charges; dipole moment; electrostatic potential; toxicity analysis

Online: 23 August 2016 (12:33:27 CEST)

Show abstract| Download PDF| Supplementary Files| Share

Preprint COMMUNICATION | doi:10.20944/preprints201701.0037.v1

Atom-Economic Synthesis of 4-Pyrones from Diynones and Water

Yan-Li Xu, Qing-Hu Teng, Wei Tong, Heng-Shan Wang, Ying-Ming Pan, Xian-Li Ma

Subject: Chemistry, Organic Chemistry Keywords: 4-pyrones; diynones; water; transition-metal-free

Online: 9 January 2017 (04:46:22 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201909.0152.v1

Comparative Extraction Efficacy of Different Organic Solvents for Leaf Chlorophylls and Carotenoids in (Portulaca oleracea L.) Varying with Growth Behavior and Stress Type

Khadijeh Ahmadi, Heshmat Omidi, Mohsen Mehrnia, Hafeez Ur Rehman

Subject: Chemistry, Medicinal Chemistry Keywords: chlorophyll; carotenoids; methanol; photo-protection; phytoextraction; Portulaca oleracea

Online: 15 September 2019 (15:04:55 CEST)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints201701.0122.v1

Synergy Effects in the Chemical Synthesis and Extensions of Multicomponent Reactions (MCRs)—The Low Energy Way to Ultra-Short Syntheses of Tailor-Made Molecules

Heiner Eckert

Subject: Chemistry, Organic Chemistry Keywords: multicomponent reaction; MCR; post condensation modification PCM; post condensation cyclisation PCC; MFCR; multifunction catalysis; variability; diversity; complexity; efficiency of synthesis

Online: 26 January 2017 (10:04:55 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201612.0023.v1

A Novel Method for Multiple Mycotoxins Analysis in Feedstuffs by Flow-Through Cartridge Purification and Ultra-High-Performance Liquid Chromatography Coupled to Tandem Mass Spectrometry

Rui-guo Wang, Xiao-ou Su, Zhang Wei, Pei-long Wang, Zhi-qi Zhang, Ai-bo Wu, Chuan-min Cheng, Yan Xue, Yu Li

Subject: Chemistry, Analytical Chemistry Keywords: UPLC-MS/MS; mycotoxins; feedstuffs; flow-through; multiple analysis

Online: 5 December 2016 (09:40:24 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201612.0065.v1

Synthesis of Reusable Silica Nanosphere-Supported Pt(IV) Complex for Formation of Disulfide Bonds in Peptides

Xiaonan Hou, Xiaowei Zhao, Yamei Zhang, Aiying Han, Shuying Huo, Shigang Shen

Subject: Chemistry, Organic Chemistry Keywords: monodisperse silica nanospheres; supported platinum(IV) complex; peptide; intramolecular disulfide; reusability

Online: 12 December 2016 (17:54:08 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201711.0187.v1

Silica Modified by Using Alcohol Polyoxyethylene Ether and Silane Coupling Agent together to Achieve High Performance Rubber Composites Using Latex Compounding Method

Junchi Zheng, Xin Ye, Dongli Han, Suhe Zhao, Xiaohui Wu, Youping Wu, Dong Dong, Yiqing Wang, Liqun Zhang

Subject: Chemistry, Applied Chemistry Keywords: chemical and physical interface; surface modification of silica; latex compounding method; silica/NR composite

Online: 29 November 2017 (09:45:01 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201809.0362.v1

Optimization of Time-Weighted Average Air Sampling by Solid-Phase Microextraction Fibers Using Finite Element Analysis Software

Bulat Kenessov, Jacek A. Koziel, Nassiba Baimatova, Olga P. Demyanenko, Miras Derbissalin

Subject: Chemistry, Analytical Chemistry Keywords: solid-phase microextraction; air sampling; air analysis; volatile organic compounds; COMSOL; time-weighted average

Online: 19 September 2018 (04:08:14 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201608.0189.v1

Promoting Effect of Inorganic Alkali on Carbon Dioxide Adsorption in Amine-Modified MCM-41

Yang Teng, Lijiao Li, Gang Xu, Kai Zhang, Kaixi Li

Subject: Chemistry, Physical Chemistry Keywords: amine-modified MCM-41; CO2 adsorption; inorganic alkali; alkali amounts

Online: 22 August 2016 (05:47:02 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201704.0009.v1

A Facile Strategy to Prepare Shaped ZSM-5 Catalyst with Enhanced para-Xylene Selectivity and Stability for Toluene Methylation

Yiren Wang, Yang Chang, Min Liu, Anfeng Zhang, Chunshan Song, Xinwen Guo

Subject: Chemistry, Chemical Engineering Keywords: toluene methylation; zeolite extrudates; para-xylene selectivity; attapulgite; binder; stability

Online: 3 April 2017 (17:27:20 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201610.0090.v1

Fatty Acids Profiles of Stipe and Blade from the Norwegian Brown Macroalga Laminaria hyperborea, Using Off-Line SPE and GC-MS

Lena Oksdøl Foseid, Hanne Devle, Yngve Stenstrøm, Carl Fredrik Naess-Andresen, Dag Ekeberg

Subject: Chemistry, Analytical Chemistry Keywords: Laminaria hyperborean; lipids; fatty acids; GC-MS

Online: 21 October 2016 (08:59:13 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201612.0082.v1

The Effect and Mechanism of Transdermal Penetration Enhancement of Fu’s Cupping Therapy: A New Physical Penetration Technology for Transdermal Administration with TCM Characteristics

Wei-Jie Xie, Yong-Ping Zhang, Jian Xu, Xiao-Bo Sun, Fang-Fang Yang

Subject: Chemistry, Medicinal Chemistry Keywords: transdermal physical penetration technology; Fu’s Cupping Therapy; pharmacokinetics; SEM; TEM; stratum corneum; mechanism

Online: 15 December 2016 (10:57:46 CET)

Show abstract| Download PDF| Share

Background: in this paper, a new physical penetration technology for transdermal administration with traditional Chinese medicine (TCM) characteristics - Fu’s cupping therapy (FCT) - was established and studied by in-vitro and in-vivo experiments; the penetration effect and mechanism of FCT physical penetration technology (FCT-PPT) was preliminarily discussed. Method: Indomethacin (IM) as a model drug，by transdermal in vitro tests the establishment of the high，medium and low reference were finished as the chemical permeation system；chemical penetration enhancers and iontophoresis as a reference，the percutaneous penetration effect of FCT for IM patch was evaluated with 7 species diffusion kinetics model and in vitro drug distribution；naproxen as an internal standard，using UPLC-MS/MS technology，the IM quantitative analysis method in vivo was established，and pharmacokinetic parameters (AUC0-t，AUC0-∞，AUMC0-t，AUMC0-∞, Cmax and MRT) as indicators were used evaluate to FCT penetration role in vivo；in the same time，the group used 3K factorial design to study joint synergistic penetration effect on FCT and chemical penetration enhancers (CPEs)；by SEM and TEM，the skin micro and ultrastructural changes of the stratum corneum (SC) surface were observed, to explore pay tank penetration mechanism. Results: In vitro and in-vivo skin permeation experiments revealed that both the total cumulative percutaneous amount and in-vivo percutaneous absorption amount (AUC and AUMC) of indomethacin that permeated SD mouse skin using FCT techniques were greater than the amount observed using CPE and iontophoresis: Firstly, in contrast to the control group, the indomethacin percutaneous rate (PR) of the FCT lower group (FCTL) was 35.52%, and the enhancement ratio (ER) at 9h was 1.76X, which was roughly equivalent to the penetration enhancing effect of the CPEs and iontophoresis; secondly, the indomethacin PR of the FCT middle (FCTM) group and the FCT high intensity group (FCTH) were respectively 47.36% and 54.58%, ER at 9h were separately 3.58X and 8.39X; thirdly, pharmacokinetic studies showed that in-vivo indomethacin percutaneous absorption of the FCTs was higher than that of the control group, that of the FCTM group was slightly higher than that of the CPEs group, and that of the FCTM group was significantly higher than that of the others. Meanwhile, the variance analysis indicated that the combination of the FCT penetration enhancement method and the CPE method had beneficial effects in penetration enhancing of the skin: the significance level of the CPE method was 0.0004, which was apparently lower than the 0.001, meaning the difference was markedly significant; the significance level of the FCT was under 0.0001, its difference markedly significant; and the significance level of factor interaction A×B was lower than 0.0001, indicating that its difference of the synergism was markedly significant. Moreover, SEM and TEM images showed that the SC surfaces of SD rats treaded with FCT-PPT was damaged, and hard to observe the complete surface structure with its SC pores growing bigger and its special “brick structure” becoming looser, indicating that it broke the barrier function of skin, which revealed potentially a major route of skin penetration. Conclusion: FCT, as percutaneous penetration new technologies, has penetration effects significantly, with Chinese characteristics and highly clinical value, worth promoting development.

Preprint ARTICLE | doi:10.20944/preprints201611.0043.v1

Design, Synthesis, Characterization and Computational Evaluation of Novel Isobutychalcones as Cytotoxic Agents: Part-A

Afzal Basha Shaik, Yejella Rajendra Prasad, Shaik Shahanaaz

Subject: Chemistry, Medicinal Chemistry Keywords: chalcone; cytotoxic activity; pharmacophore model

Online: 7 November 2016 (08:30:12 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints202007.0076.v1

Current Challenges of Cold Brew Coffee – Roasting, Extraction, Flavor Profile, Contamination, and Food Safety

Raven Kwok, Kenny Lee Wee Ting, Steffen Schwarz, Linda Claassen, Dirk W. Lachenmeier

Subject: Chemistry, Food Chemistry Keywords: coffee; cold brew; nitro cold brew; roasting; extraction; hygiene; risk assessment; product quality

Online: 5 July 2020 (14:53:27 CEST)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints201908.0260.v1

Microplastic-Toxic Chemical Interaction: A Review Study on Quantified Levels, Mechanism and Implication

Verla Andrew Wirnkor, Enyoh Christian Ebere, Verla Evelyn Ngozi, Nwanorh Kieran Oharley

Subject: Chemistry, Analytical Chemistry Keywords: air pollution; micropollutants; plastic debris; risks; soil pollution; toxicity; water pollution

Online: 26 August 2019 (01:39:10 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201703.0039.v1

High Catalytic Activity of Heterometallic (Fe₆Na₇and Fe₆Na₆) Cage Silsesquioxanes in Oxidations with Peroxides

Alexey I. Yalymov, Alexey N. Bilyachenko, Mikhail M. Levitsky, Alexander A. Korlyukov, Victor N. Khrustalev, Lidia S. Shul’pina, Pavel V. Dorovatovskii, Marina A. Es’kova, Frédéric Lamaty, Xavier Bantreil, Benoît Villemejeanne, Jean Martinez, Elena S. Shubina, Yuriy N. Kozlov, Georgiy B. Shul’pin

Subject: Chemistry, Inorganic & Nuclear Chemistry Keywords: alkanes; amides; hydrogen peroxide; dinuclear complexes; iron complexes; metallasiloxanes

Online: 7 March 2017 (09:23:03 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201701.0053.v1

Enantioselective Transamination in Continuous Flow Mode with Transaminase Immobilized in a Macrocellular Silica Monolith

Ludivine van den Biggelaar, Patrice Soumillion, Damien P. Debecker

Subject: Chemistry, Chemical Engineering Keywords: chiral amines; biocatalysis; silica monolith; enzyme immobilization; flow chemistry

Online: 11 January 2017 (04:48:02 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint REVIEW | doi:10.20944/preprints201612.0124.v1

Development of NO_x Emission and Electrochemical Detection in Atmosphere

Yu Du, Xixiang Sun, Qin Wei

Subject: Chemistry, Applied Chemistry Keywords: NO2; NO; gas sensor; nitrogen oxide emission; semiconductor; carbon; electrochemical

Online: 25 December 2016 (08:38:47 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201703.0108.v1

Organocatalytic Stereoselective Epoxidation of Aryl-Substituted Vinylidenebisphosphonate Esters: On the Way to Chiral Anti-Osteoporosis Drugs

Andrea Chiminazzo, Laura Sperni, Alessandro Scarso, Giorgio Strukul

Subject: Chemistry, Organic Chemistry Keywords: bisphosphonates; epoxidation; hydrogen peroxide; enantioselectivity; quinine; sparteine

Online: 16 March 2017 (05:37:08 CET)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints201703.0118.v1

Potential Antivirals: Natural Products Targeting Replication Enzymes of Dengue and Chikungunya Viruses

Ana Flávia Costa da Silveira Oliveira, Róbson Ricardo Teixeira, André Silva de Oliveira, Ana Paula Martins de Souza, Milene Lopes da Silva, Sérgio Oliveira de Paula

Subject: Chemistry, Medicinal Chemistry Keywords: dengue; chikungunya; virus enzymes; antiviral; natural products

Online: 16 March 2017 (09:42:52 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201709.0017.v1

High Ethanol Contents of Spirit Drinks in Kibera Slums, Kenya: Implications for Public Health

Alex O. Okaru, Kennedy O. Abuga, Isaac O. Kibwage, Dirk W. Lachenmeier

Subject: Chemistry, Food Chemistry Keywords: artisanal spirit; alcohol strength; volatiles

Online: 5 September 2017 (17:36:25 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201612.0110.v1

The Synthesis and New Crystal Structures of Three Arylpiperazine Compounds

Jinhui Zhou, Maocai Yan, Maojian Shi, Jun Xu, Guoqiang Shangguan

Subject: Chemistry, Applied Chemistry Keywords: arylpiperazine compound; X-ray crystal structure; characterization; triclinic

Online: 21 December 2016 (11:01:58 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201610.0137.v1

Study the Impact of Glucose-6-phosphatase Activity in Type 2 Diabetic Patients and Non Diabetic Counterparts

Ahmed Al-Amery

Subject: Chemistry, Medicinal Chemistry Keywords: glibenclamide therapies; glycemic; Glucose-6-phosphatase

Online: 31 October 2016 (08:35:41 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201612.0109.v1

Theoretical Studies of Acrolein Hydrogenation to Propenol and Propanal on Au₃ and Au₅

Guo-Jun Kang, Shuai He, Xue-Feng Ren

Subject: Chemistry, General & Theoretical Chemistry Keywords: acrolein; Au Cluster; DFT

Online: 21 December 2016 (10:15:53 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201701.0084.v1

Chemical Composition and Biological Activity of A. cepa L. and A. × cornutum (Clementi ex Visiani 1842) Methanolic Extracts

Željana Fredotović, Matilda Šprung, Barbara Soldo, Ivica Ljubenkov, Irena Budić-Leto, Tea Bilušić, Vedrana Čikeš-Čulić, Jasna Puizina

Subject: Chemistry, Food Chemistry Keywords: onions; A. × cornutum; A. cepa; phenolic compounds; antioxidant activity; genotoxicity; antimutagenic activity; antiproliferative activity

Online: 19 January 2017 (02:09:32 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201701.0029.v2

Distal [FeS]-Cluster Coordination in [NiFe]-Hydrogenase Facilitates Intermolecular Electron Transfer

Alexander Petrenko, Matthias Stein

Subject: Chemistry, General & Theoretical Chemistry Keywords: electron transfer; Marcus equation; enzymatic fuel cell; hydrogen oxidation; electrode adsorption; DFT; bioelectrochemistry

Online: 9 January 2017 (02:49:00 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201703.0155.v1

Molecularly Imprinted Polymers for Selective Extraction of Oblongifolin C from Garcinia yunnanensis Hu

Wang Liping, Fu Wenwei, Shen Yunhui, Tan Hongsheng, Xu Hongxi

Subject: Chemistry, Other Keywords: molecularly imprinted polymers; solid-phase extraction; oblongifolin C; guttiferone K; Garcinia yunnanensis Hu

Online: 20 March 2017 (09:38:35 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201611.0118.v1

Some Algebraic Polynomials and Topological Indices of Octagonal Network

Young Chel Kwun, Waqas Nazeer, Mobeen Munir, Shin Min Kang

Subject: Chemistry, General & Theoretical Chemistry Keywords: M-polynomial; Zagreb polynomial; topological index; network

Online: 24 November 2016 (01:53:31 CET)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201803.0116.v1

Experimental and DFT Investigation on the Corrosion Inhibition of Mild Steel by 1,2,3-Triazolereg Ioisomers in 1M Hydrochloric Acid Solution

H. Rahmani, K. Ismaily Alaoui, K.M. Emran, A. El Hallaoui, M. Taleb, S. El Hajji, B. Labriti, E. Ech-chihbi, B. Hammouti, F. El-Hajjaji

Subject: Chemistry, Chemical Engineering Keywords: oxazole-triazole; inhibition corrosion; mild steel; EIS; DFT

Online: 15 March 2018 (05:10:29 CET)

Show abstract| Download PDF| Share

Preprint REVIEW | doi:10.20944/preprints201608.0050.v1

Peculiar Magnetic Features and Superconductivity in Sulfur Doped Amorphous Carbon

Israel Felner

Subject: Chemistry, Other Keywords: amorphous carbon; sulfur; superconductivity; peculiar magnetic behavior

Online: 5 August 2016 (07:16:18 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201701.0031.v1

Molecular Structure, Luminescent and DFT Computational Studies of Two Novel Europium(III) β-diketonate Complexes

Haifeng Shao, Yanjun Hou, Jinyuan Bai, Haijun Niu

Subject: Chemistry, Organic Chemistry Keywords: TFT; complexes; luminescent; synthesis; Density functional theory (DFT)-computation

Online: 6 January 2017 (09:47:23 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201710.0145.v1

Valued Bioproducts from Waste Opuntia ficus-indica Peel via Microwave-Assisted Hydrodiffusion and Hydrodistillation

Rosaria Ciriminna, Carmelo Danzì, Giuseppe Timpanaro, Mattia Locatelli, Diego Carnaroglio, Alexandra Fidalgo, Antonino Scurria, Giuseppe Avellone, Laura M. Ilharco, Mario Pagliaro

Subject: Chemistry, Food Chemistry Keywords: Opuntia ficus-indica; nutraceutical; betanin; pectin; natural colorant

Online: 23 October 2017 (03:57:04 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201712.0167.v1

Epoxidized Methyl Esters and Triglycerides of Vegetable Oils Unsaturated Fatty Acids as New Reagents for the Preparation of Emulsifiers Based on Glycerol and Its Oligomers

Khidmet Shikhaliev, Nadezhda Stolpovskaya, Michael Krysin, Anna Zorina, Denis Lyapun, Fedor Zubkov

Subject: Chemistry, Other Keywords: vegetable oils; emulsifiers; triglycerides; FAME; epoxidized fatty acids; glycerol; polyglycerol; PGPR; renewable raw materials

Online: 25 December 2017 (07:32:07 CET)

Show abstract| Download PDF| Supplementary Files| Share

Preprint ARTICLE | doi:10.20944/preprints201609.0072.v1

Electrolyte Additive Concentration for Maximum Energy Storage in Lead-Acid Batteries

A. Paglietti

Subject: Chemistry, Electrochemistry Keywords: Pb-acid batteries, electrolyte additives, battery energy capacity, electrolyte additive concentration

Online: 20 September 2016 (15:39:49 CEST)

Show abstract| Download PDF| Share

Preprint ARTICLE | doi:10.20944/preprints201611.0072.v1

Synthesis and Structure-Activity Relationships of a Series of Aporphine Derivatives with Antiarrhythmic Activities and Acute Toxicity

Hui Wang, Xin Cheng, Shujun Kong, Zixian Yang, Hongmei Wang, Qiuyan Huang, Jingyu Li, Cheng Chen, Yunshu Ma

Subject: Chemistry, Medicinal Chemistry Keywords: aporphine derivatives; antiarrhythmia; 10,11-dibromocrebanine; 3-bromocrebanine; crebanine; stephanine

Online: 14 November 2016 (07:24:04 CET)

Show abstract| Download PDF| Share

Preprint SHORT NOTE | doi:10.20944/preprints201610.0045.v1

1,3,1',3'-(Dinaphthalene-1,8-diyl)bisthiourea

Fatma Aydin

Subject: Chemistry, Organic Chemistry Keywords: carbon disulphide; 1,8-diaminonaphthalene; bisthiourea

Online: 13 October 2016 (04:56:12 CEST)

Show abstract| Download PDF| Share

CHEMISTRY