ARTICLE
|
doi:10.20944/preprints202303.0330.v1
Subject:
Arts And Humanities,
Film, Radio And Television
Keywords:
infecção experimental; Aedes albopictus; febre amarela; reemergência; RT‒qPCR; isolamento viral
Online: 20 March 2023 (02:01:29 CET)
BRIEF REPORT
|
doi:10.20944/preprints202105.0342.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
COVID-19; SARS-CoV-2; nasopharyngeal swab; RNA extraction; RT-PCR
Online: 14 May 2021 (14:46:42 CEST)
ARTICLE
|
doi:10.20944/preprints201901.0212.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
DHAV-1; DHAV-3; Phylogenetic analysis; One-tube RT-PCR; Simultaneously
Online: 22 January 2019 (11:08:19 CET)
ARTICLE
|
doi:10.20944/preprints201705.0173.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Echinococcus granulosus; Calmodulin; Ca2+-binding protein; Immunohistochemical localization; Quantitative RT-PCR
Online: 24 May 2017 (08:07:35 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1039.v1
Subject:
Inorganic And Nuclear Chemistry,
Chemistry And Materials Science
Keywords:
metal-organic compounds; supramolecular dimer; self-association; DFT; QTAIM; MEP
Online: 16 April 2024 (10:54:52 CEST)
ARTICLE
|
doi:10.20944/preprints202312.1843.v1
Subject:
Chemistry And Materials Science,
Other
Keywords:
molybdenum; hydrazone; metallosupramolecular; dinuclear; metallacycles; polymers; epoxidation; cyclooctene; catalysis; DFT
Online: 25 December 2023 (11:24:35 CET)
ARTICLE
|
doi:10.20944/preprints202310.0516.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Pyridinium chlorochromate; furan oxidation; enediones synthesis; XRD; XPS; DFT calculations
Online: 10 October 2023 (03:01:11 CEST)
ARTICLE
|
doi:10.20944/preprints202307.1662.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
1D 1H NOE; 1H chemical shift; ALA; EPA; DHA; DFT
Online: 25 July 2023 (07:33:59 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0276.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Monolayer semiconductor; Band gap; Electronic structure; Biaxial strain; DFT calculations
Online: 5 June 2023 (09:58:45 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0225.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
OLED; charge mobility; DFT; hopping transport; transfer integrals; reorganization energy
Online: 13 December 2022 (03:25:26 CET)
ARTICLE
|
doi:10.20944/preprints202201.0095.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
antioxidant activity; eearomatization; frontier molecular orbital; fukui function f0; DFT
Online: 3 February 2022 (15:19:51 CET)
ARTICLE
|
doi:10.20944/preprints202003.0008.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
2D materials; photodetectors; oxidation; TiS3; TiO2; Raman spectroscopy; DFT GW
Online: 1 March 2020 (03:43:01 CET)
ARTICLE
|
doi:10.20944/preprints201909.0286.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
pd doped graphyne; dissolved gases; adsorption; density functional theory (dft)
Online: 25 September 2019 (16:01:58 CEST)
ARTICLE
|
doi:10.20944/preprints201812.0020.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
coordination compounds; coordination polymers; copper; thiocyanate; crystal Structure; DFT calculations
Online: 3 December 2018 (10:02:16 CET)
ARTICLE
|
doi:10.20944/preprints201806.0423.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
DFT; periodic simulations; amorphous minerals; physico-chemical properties; super-cell
Online: 26 June 2018 (13:10:49 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0418.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
ice XIV; vibrational spectrum; hydrogen bond; CASTEP, first-principles; DFT
Online: 26 June 2018 (12:44:03 CEST)
ARTICLE
|
doi:10.20944/preprints202401.0732.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
apple; expression profiling; KEGG; red-flesh fruits; RNA-seq; RT-qPCR; transcriptome
Online: 10 January 2024 (04:33:22 CET)
ARTICLE
|
doi:10.20944/preprints202312.0316.v1
Subject:
Medicine And Pharmacology,
Clinical Medicine
Keywords:
Omicron; rapid diagnostic test; RT-PCR; RSV; SARS-CoV-2; viral antigens
Online: 6 December 2023 (07:38:00 CET)
ARTICLE
|
doi:10.20944/preprints202308.1098.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Transcriptional meta-analysis; molecular docking; RT-qPCR; Bioinformatics; Structural-based virtual screening
Online: 15 August 2023 (11:47:28 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0548.v1
Subject:
Engineering,
Automotive Engineering
Keywords:
ANN; COVID-19; CT; mRNA; MRI; RT-PCR; SARS-CoV-2; XCR
Online: 23 July 2021 (15:02:40 CEST)
REVIEW
|
doi:10.20944/preprints202106.0320.v1
Subject:
Environmental And Earth Sciences,
Water Science And Technology
Keywords:
RT-qPCR; assay validity; standard curve; quality assurance; quality control; wastewater surveillance
Online: 11 June 2021 (14:10:51 CEST)
ARTICLE
|
doi:10.20944/preprints202003.0413.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
coronavirus; drug; COVID-19; SARS; MERS; ontology; ChEBI; NDF-RT; DrON; bioinformatics
Online: 29 March 2020 (01:58:40 CET)
ARTICLE
|
doi:10.20944/preprints201909.0142.v1
Subject:
Medicine And Pharmacology,
Urology And Nephrology
Keywords:
uremic pruritus; ion channels; cell signaling; Cav3.2 calcium channel; RT-PCR; skin
Online: 14 September 2019 (19:00:34 CEST)
ARTICLE
|
doi:10.20944/preprints202405.0480.v1
Subject:
Applied Physics,
Physical Sciences
Keywords:
Refractive index; resonance frequency; DFT; optical path length; elasto-optic constants
Online: 9 May 2024 (12:17:47 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0477.v1
Subject:
Physical Sciences,
Other
Keywords:
field electron emission; DFT; Au (100); Fowler-Nordheim; laser field emission
Online: 10 October 2023 (03:20:46 CEST)
ARTICLE
|
doi:10.20944/preprints202207.0310.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
ab-initio; DFT calculations; 2D materials; MoS2; optical properties; platinum; FPMD
Online: 21 July 2022 (03:24:52 CEST)
ARTICLE
|
doi:10.20944/preprints202206.0399.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
carbazole; OH radical; rate constants; oxidation mechanism; density functional theory (DFT)
Online: 29 June 2022 (08:19:43 CEST)
ARTICLE
|
doi:10.20944/preprints202204.0064.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
low-Miller-index; High pressure; (101) plane; DFT calculation; LLM-105
Online: 7 April 2022 (14:27:56 CEST)
ARTICLE
|
doi:10.20944/preprints202012.0364.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Molecular Electron Density Theory; Norbornadiene; Diazoalkanes; Conceptual DFT; Electron Localization Function.
Online: 15 December 2020 (10:04:22 CET)
ARTICLE
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
titanium dental implant; vitamin D3; bioactive coating; anticorrosion protection; EIS; DFT
Online: 10 September 2019 (11:35:26 CEST)
ARTICLE
|
doi:10.20944/preprints201809.0547.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
ice X; vibrational spectrum; first-principles DFT; Raman scattering; IR absorption
Online: 27 September 2018 (13:25:06 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1845.v1
Subject:
Neuroscience And Neurology,
Biology And Life Sciences
Keywords:
RT: real time, PCR: polymerase chain reaction, WT: wild type, dNTP: deoxynucleotide triphosphate
Online: 28 April 2024 (10:36:25 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0301.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
bone marrow-derived mesenchymal stem cells; ALS; microRNA; Mir206; Mir338-3p; RT -PCR.
Online: 3 April 2024 (14:25:24 CEST)
ARTICLE
|
doi:10.20944/preprints202403.0205.v1
Subject:
Biology And Life Sciences,
Agricultural Science And Agronomy
Keywords:
craft beer; probiotic; gene expression; PMA-qPCR; RT-qPCR; microbiological resistance to hops.
Online: 5 March 2024 (12:25:02 CET)
ARTICLE
|
doi:10.20944/preprints202307.1362.v1
Subject:
Public Health And Healthcare,
Health Policy And Services
Keywords:
SARS-CoV-2; Omicron; Wastewater-based epidemiology; RT-qPCR; SIR model; SIRS model
Online: 20 July 2023 (11:44:24 CEST)
REVIEW
|
doi:10.20944/preprints202104.0481.v1
Subject:
Environmental And Earth Sciences,
Waste Management And Disposal
Keywords:
COVID-19; SARS-CoV-2; Wastewater; Surveillance; False-positive; False-negative; RT-PCR
Online: 19 April 2021 (13:08:13 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0093.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
mixed linear model; genotyping-by-sequencing; functional validation; RT-qPCR; resistance genes; GWAS
Online: 7 December 2019 (12:41:39 CET)
ARTICLE
|
doi:10.20944/preprints202403.1821.v1
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
Hydrogen evolution reaction; Titanium nitride; Oxygen defects; TiNO; linear sweep voltammertry; DFT
Online: 29 March 2024 (10:01:45 CET)
REVIEW
|
doi:10.20944/preprints202308.1932.v1
Subject:
Environmental And Earth Sciences,
Environmental Science
Keywords:
single-atom metal; two-dimensional nanomaterials; water splitting; CO2 reduction; catalysis; DFT
Online: 29 August 2023 (08:42:11 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0450.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
polymerization catalysis; machine learning; nanoclusters; DFT; Raman spectrum; IR spectrum; Lewis bases
Online: 28 December 2021 (14:04:10 CET)
ARTICLE
|
doi:10.20944/preprints202107.0222.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
Graphene oxide; Quantum Dots; TD-DFT; Absorption; Quenching effect; Concentration; Optical Response
Online: 9 July 2021 (13:22:41 CEST)
ARTICLE
|
doi:10.20944/preprints202008.0153.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
transition metal oxides; density functional theory; DFT+U; materials modelling; phase diagrams
Online: 6 August 2020 (10:32:01 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0110.v2
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Pb(II)-BHA; lead chemistry; metal-organic collectors; DFT calculation; surface activation
Online: 25 July 2018 (05:29:34 CEST)
ARTICLE
|
doi:10.20944/preprints202405.0220.v1
Subject:
Life Sciences,
Biology And Life Sciences
Keywords:
honeybee; viral pathogens; RT-qPCR tests; TaqMan probes; duplex reactions
Online: 6 May 2024 (08:43:43 CEST)
ARTICLE
|
doi:10.20944/preprints202311.1062.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
small RNA; Pseudomonas; nitrogen; NtrC; gene expression; RT-qPCR; nitrogen metabolism; carbon/nitrogen homeostasis
Online: 16 November 2023 (10:34:33 CET)
ARTICLE
|
doi:10.20944/preprints202311.0621.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
enteric virus; picobirnavirus; brazilian animals; page, rt-pcr; rdrp gene; phylogenetic analysis; genogroup I
Online: 9 November 2023 (11:24:00 CET)
ARTICLE
|
doi:10.20944/preprints202103.0292.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
cancer; COVID-19; symptoms; healthcare workers; anosmia; dysgeusia; ageusia; France; serological test; RT-PCR
Online: 10 March 2021 (16:17:48 CET)
REVIEW
|
doi:10.20944/preprints202006.0284.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; RT-PCR; antibody; zoonotic; animal transmission; genomics; asymptomatic fraction; herd immunity
Online: 23 June 2020 (13:30:11 CEST)
ARTICLE
|
doi:10.20944/preprints202004.0216.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
COVID-19; SARS-CoV-2; field work; community; diagnosis; rapid detection; inactivation; RT-qPCR
Online: 14 April 2020 (08:41:04 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1966.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Drug discovery; computational chemistry; conceptual DFT; marine cyclopeptides; chemical reactivity properties; bioavailability scores
Online: 29 August 2023 (09:36:49 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0329.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Mixed-Ligands; DFT Calculations; HOMO; LUMO; Antimicrobial; Antioxidant Assays; and Molecular Docking Analysis
Online: 19 December 2022 (07:43:08 CET)
ARTICLE
|
doi:10.20944/preprints202207.0080.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
density functional theory (DFT); information-theoretic approach (ITA); base pairs; peptides; molecular polarizability
Online: 6 July 2022 (03:04:51 CEST)
ARTICLE
|
doi:10.20944/preprints202111.0568.v2
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Graptopetalum paraguayense E. Walter; anti-HSV activities; hydroxybenzoic (phenolic) acids; molecular docking; DFT.
Online: 15 December 2021 (10:58:46 CET)
ARTICLE
|
doi:10.20944/preprints202106.0498.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
azobenzene; transition density matrix; exciton; charge transfer; excited states; TD-DFT; ADC(2)
Online: 21 June 2021 (10:20:13 CEST)
ARTICLE
|
doi:10.20944/preprints202101.0488.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Metal-carbonyl complexes; [FeFe]-hydrogenases; density functional theory; time-dependent DFT; organometallic photochemistry
Online: 25 January 2021 (11:43:03 CET)
ARTICLE
|
doi:10.20944/preprints202007.0742.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
KID protocol; Global Reactivity; Conceptual DFT; Kopmans’ Theorem; Mo–oxo Complexes; Hydrogen production
Online: 31 July 2020 (10:09:50 CEST)
ARTICLE
|
doi:10.20944/preprints201701.0029.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
electron transfer; Marcus equation; enzymatic fuel cell; hydrogen oxidation; electrode adsorption; DFT; bioelectrochemistry
Online: 9 January 2017 (02:49:00 CET)
ARTICLE
|
doi:10.20944/preprints202312.0322.v1
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
Matlab/Simulink; load demands; microgrid; DER, OPAL-RT; digital twin; energy optimization; Gurobi; sustainable building
Online: 6 December 2023 (05:43:41 CET)
ARTICLE
|
doi:10.20944/preprints202308.0372.v3
Subject:
Social Sciences,
Tourism, Leisure, Sport And Hospitality
Keywords:
complex indicator; isolated action; weighting system; simultaneous action; machine learning(ML); decision tree(C-RT)
Online: 16 October 2023 (08:35:18 CEST)
ARTICLE
|
doi:10.20944/preprints202307.1532.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; COVID-19; pandemic; variants; RT-PCR; sequencing; surveillance; vaccination; vaccine breakthrough; comorbidity.
Online: 21 July 2023 (13:55:29 CEST)
ARTICLE
|
doi:10.20944/preprints202203.0040.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
SARS-CoV-2; rapid antigen test; RT-PCR test; COVID-19; image processing; Raspberry Pi
Online: 2 March 2022 (08:06:49 CET)
ARTICLE
|
doi:10.20944/preprints202105.0381.v1
Subject:
Environmental And Earth Sciences,
Water Science And Technology
Keywords:
SARS-CoV-2; wastewater monitoring; environmental surveillance; RT-LAMP; building-level; near-source; passive sampling
Online: 17 May 2021 (10:07:04 CEST)
ARTICLE
|
doi:10.20944/preprints202104.0688.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
droplet digital PCR; real time RT-PCR; SARS-CoV-2; false negative; viral load; diagnosis
Online: 26 April 2021 (20:09:26 CEST)
REVIEW
|
doi:10.20944/preprints202004.0201.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
diagnosis; detection kits; RT-PCR; immunoassay; false negative; false positive; sensitivity; point-of-care (POC)
Online: 12 April 2020 (16:50:05 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0395.v1
Subject:
Environmental And Earth Sciences,
Water Science And Technology
Keywords:
Grafted hydrogel; Ground water; Ammonia and Iron removal efficiency; DFT and MEP; binding Energy
Online: 4 August 2023 (11:32:16 CEST)
COMMUNICATION
|
doi:10.20944/preprints202306.0875.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
planar tetracoordinate carbon; silicon-carbon clusters; global minima; DFT computations; chemical bonding analysis; aromaticity
Online: 13 June 2023 (04:30:10 CEST)
ARTICLE
|
doi:10.20944/preprints202301.0387.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
polyamidation; in situ silylation; poly(p-phenylene terephthalamide (PPTA); Kevlar; NMR; DFT molecular simulation
Online: 23 January 2023 (02:00:35 CET)
ARTICLE
|
doi:10.20944/preprints202202.0317.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
photochromic; diarylethene; bipyridine; high-resolution scanning tunneling microscopy; cooperative switches; molecular orbital; DFT calculations
Online: 24 February 2022 (13:17:29 CET)
CONCEPT PAPER
|
doi:10.20944/preprints202106.0075.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Chemical bonding; nanostructured materials; electron diffraction; quantum crystallography; QCBED; Density Functional Theory; QCBED-DFT
Online: 2 June 2021 (12:19:23 CEST)
ARTICLE
|
doi:10.20944/preprints202008.0690.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Theopapuamides A-D; Virtual Screening; Chemoinformatics; Conceptual DFT; Computational Peptidology; Bioavailability; Bioactivity Scores; ADMET
Online: 31 August 2020 (03:57:38 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0574.v1
Subject:
Biology And Life Sciences,
Plant Sciences
Keywords:
ABA biosynthesis; ABA perception; Fragaria chiloensis; fruit ripening; NCED; PYR/PYL receptors; phylogenic analysis; RT-qPCR
Online: 19 April 2023 (08:43:03 CEST)
ARTICLE
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
SARS-CoV-2; COVID-19; RT-PCR; nucleic acids; direct testing; loop-mediated isothermal amplification; LAMP
Online: 5 April 2021 (12:21:19 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1527.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
N2 fixation; Dinitrogen activation; DFT; IR; Raman; Hexametallic clusters; Ruthenium clusters; Osmium clusters; 15N NMR
Online: 27 February 2024 (12:18:31 CET)
ARTICLE
|
doi:10.20944/preprints202309.1759.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
DFT-D3; self-assembly; camphor sulfonimine; X-ray diffraction; redox properties; complexes; non-bonding interactions
Online: 26 September 2023 (11:19:02 CEST)
SHORT NOTE
|
doi:10.20944/preprints202305.1869.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine; polypyridyl donors; SC-XRD; FT-Raman; DFT; ICl
Online: 26 May 2023 (05:44:34 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1726.v1
Subject:
Chemistry And Materials Science,
Electronic, Optical And Magnetic Materials
Keywords:
Cu3-3OH complex; pyrazolato ligands; trinuclear complex; Spin Frustration; magnetic susceptibility; antisymmetric exchange; DFT calculations.
Online: 25 May 2023 (03:37:25 CEST)
ARTICLE
|
doi:10.20944/preprints201904.0014.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Alignment; assembly; taxonomic classification; time series; data transformation; DWT; DFT; PAA; data compression; compressive genomics
Online: 1 April 2019 (13:29:58 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0477.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
radicals; exchange coupling; cross-coupling; broken symmetry DFT; EPR spectroscopy; X-ray crystallography; redox chemistry
Online: 28 June 2018 (15:32:47 CEST)
SHORT NOTE
|
doi:10.20944/preprints201703.0158.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
au(I) dithiocarbamate and phosphine complex; Raman spectroscopy; Single crystal X-ray diffraction; DFT calculations
Online: 20 March 2017 (10:00:42 CET)
BRIEF REPORT
|
doi:10.20944/preprints202105.0526.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
SARS-CoV-2 virus; complete genome sequencing; COVID-19 RT-PCR testing; Spike protein; vi-ral variants
Online: 21 May 2021 (15:12:17 CEST)
REVIEW
|
doi:10.20944/preprints202009.0526.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
COVID-19 testing; molecular diagnostics; immunological testing; RT-qPCR; ELISA; pool PCR; lateral flow assay; rapid assay
Online: 23 September 2020 (03:33:12 CEST)
ARTICLE
|
doi:10.20944/preprints202006.0275.v1
Subject:
Medicine And Pharmacology,
Hematology
Keywords:
SARS-CoV-2; COVID-19; real-time RT-PCR; COVID-19 symptoms; COVID-19 hematological findings; Bangladesh
Online: 21 June 2020 (14:47:03 CEST)
ARTICLE
|
doi:10.20944/preprints202310.1193.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Racemic α-lipoic acid; zinc; metallcomplex, in silico, DFT calculation; molecular docking simulation; target proteins; diabetes
Online: 19 October 2023 (08:09:26 CEST)
ARTICLE
|
doi:10.20944/preprints202011.0047.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Photodynamic Therapy; Charge Transfer; Electronically Excited States; Anthraquinone; DNA; Molecular Dynamics; TD-DFT; Transition-Density Analysis
Online: 2 November 2020 (14:15:09 CET)
ARTICLE
|
doi:10.20944/preprints201910.0374.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
conjugated diradicals; DFT; broken symmetry; double exciton state; TDDFT; spin-flip TDDFT; diradical character; NFOD descriptor
Online: 31 October 2019 (15:29:31 CET)
ARTICLE
|
doi:10.20944/preprints202304.0971.v1
Subject:
Medicine And Pharmacology,
Pulmonary And Respiratory Medicine
Keywords:
2019-nCoV; COVID-19; RT-PCR; SARS-CoV-2; Community-acquired pneumonia; Chest CT; microwave radiometry; temperature measurement
Online: 26 April 2023 (08:02:32 CEST)
ARTICLE
|
doi:10.20944/preprints202204.0115.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
boron; fullerenes; chemical bond; electronic structure; DFT; localization; bond order; QTAIM; ELF; Hückeloid model; heat of formation
Online: 13 April 2022 (04:30:00 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0296.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Plasmodium falciparum dihydroorotate dehydrogenase; fragment-based drug design; 2D-QSAR; DFT calculation; Lead optimization; Induced Fit docking
Online: 20 December 2021 (09:39:42 CET)
ARTICLE
|
doi:10.20944/preprints201712.0173.v4
Subject:
Computer Science And Mathematics,
Analysis
Keywords:
Fourier transform; Fourier series; DTFT; DFT; generalized functions; tempered distributions; Schwartz functions; Poisson Summation Formula; discretization; periodization
Online: 21 November 2018 (11:09:28 CET)
ARTICLE
|
doi:10.20944/preprints202208.0392.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Severe Acute Respiratory Syndrome-CoV-2 (SARS-CoV2), COVID-19, molecular diagnostics, real-time polymerase chain reaction (RT-qPCR)
Online: 23 August 2022 (03:55:44 CEST)
ARTICLE
|
doi:10.20944/preprints202312.1956.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Photocatalytic CO2 reduction; DFT/TDDFT; Pt(II) pincer complexes; T1 excited state electrochemistry, CO2 fixation/activation by Pt
Online: 28 December 2023 (02:09:16 CET)
ARTICLE
|
doi:10.20944/preprints202307.2130.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
cyclic voltammetry; electron paramagnetic resonance; DFT calculations; UV-VIS/NIR; phenoxyl radical; pincer complex; platinum complex; NHC ligand
Online: 1 August 2023 (03:38:51 CEST)
ARTICLE
|
doi:10.20944/preprints202111.0430.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Ab initio DFT/B3LYP/6-311G/Auto calculation; hydrazine; Hirshfeld surface; hydrogen interactions; single-crystal X-ray study
Online: 23 November 2021 (15:03:30 CET)
ARTICLE
|
doi:10.20944/preprints202008.0351.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
discodermins A-H; chemical reactivity theory; conceptual DFT; global and local reactivity descriptors; pKa; bioavailability; bioactivity scores; ADME
Online: 17 August 2020 (04:45:58 CEST)
ARTICLE
|
doi:10.20944/preprints202007.0406.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
x-ray photoelectron spectroscopy; XPS; self-assembled monolayer; SAM; collective electrostatic; band-structure calculation; density-functional theory; DFT
Online: 19 July 2020 (10:40:47 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1037.v1
Subject:
Medicine And Pharmacology,
Clinical Medicine
Keywords:
respiratory syncytial virus; influenza A virus; influenza B virus; SARS-CoV-2; rapid RT-PCR; diagnostic accuracy; point-of-care testing
Online: 15 September 2023 (05:38:13 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1465.v1
Subject:
Public Health And Healthcare,
Public Health And Health Services
Keywords:
Adolescent; children; 12-17 years COVID-19 vaccine; fully vaccinated; partially vaccinated; vaccination status; RT-PCR-positive; Pfizer; BNT162b2; vaccine effectiveness
Online: 22 August 2023 (03:02:19 CEST)
ARTICLE
|
doi:10.20944/preprints201809.0054.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
Active Front-End converter; back-to-back converter; PMSG; THD; Type-4 wind turbine; wind energy system; Opal-RT Technologies®
Online: 4 September 2018 (05:02:15 CEST)
ARTICLE
|
doi:10.20944/preprints202312.0487.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
heterocyclization; Michael addition; dithiomalondiamides; dithiolo[3,4-b]pyridines; DFT calculations; reaction mechanism studies; herbicide safeners; molecular docking; ADMET properties.
Online: 7 December 2023 (07:07:11 CET)
ARTICLE
|
doi:10.20944/preprints202310.0519.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Grapevine leafroll disease; Closteroviridae; GLRaV-3cDNA clones; RT-qPCR; Western blot; vacuum agro-infiltration; agro-pricking; agro-drenching; agro-injection; Koch’s postulates
Online: 9 October 2023 (15:17:00 CEST)