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Top Articles

#TitleJournalYearCitations
1A modified single solution method for the determination of phosphate in natural watersAnalytica Chimica Acta196216,980
2NMRPipe: A multidimensional spectral processing system based on UNIX pipesJournal of Biomolecular NMR199514,090
3PLS-regression: a basic tool of chemometricsChemometrics and Intelligent Laboratory Systems20017,224
4Partial least-squares regression: a tutorialAnalytica Chimica Acta19865,927
5An approach to correlate tandem mass spectral data of peptides with amino acid sequences in a protein databaseJournal of the American Society for Mass Spectrometry19945,912
6Hartree-Slater subshell photoionization cross-sections at 1254 and 1487 eVJournal of Electron Spectroscopy and Related Phenomena19765,512
7AQUA and PROCHECK-NMR: Programs for checking the quality of protein structures solved by NMRJournal of Biomolecular NMR19964,736
8Response surface methodology (RSM) as a tool for optimization in analytical chemistryTalanta20084,224
9Automatic atom type and bond type perception in molecular mechanical calculationsJournal of Molecular Graphics and Modelling20064,173
10The basis of anisotropic water diffusion in the nervous system - a technical reviewNMR in Biomedicine20023,938
11Methods for in vitro evaluating antimicrobial activity: A reviewJournal of Pharmaceutical Analysis20163,675
12Gradient-tailored excitation for single-quantum NMR spectroscopy of aqueous solutionsJournal of Biomolecular NMR19923,612
13Surface Plasmon Spectroscopy of Nanosized Metal ParticlesLangmuir19963,293
14Beware of q2!Journal of Molecular Graphics and Modelling20023,216
15The HITRAN 2008 molecular spectroscopic databaseJournal of Quantitative Spectroscopy and Radiative Transfer20093,129
16Standard Normal Variate Transformation and De-Trending of Near-Infrared Diffuse Reflectance SpectraApplied Spectroscopy19893,057
17Arsenic round the world: a reviewTalanta20022,969
18NMR View: A computer program for the visualization and analysis of NMR dataJournal of Biomolecular NMR19942,914
19Investigation of equilibria in solution. Determination of equilibrium constants with the HYPERQUAD suite of programsTalanta19962,888
20Protein and polymer analyses up tom/z 100 000 by laser ionization time-of-flight mass spectrometryRapid Communications in Mass Spectrometry19882,854
21The HITRAN2016 molecular spectroscopic databaseJournal of Quantitative Spectroscopy and Radiative Transfer20172,840
22Protein backbone angle restraints from searching a database for chemical shift and sequence homologyJournal of Biomolecular NMR19992,825
23The HITRAN2012 molecular spectroscopic databaseJournal of Quantitative Spectroscopy and Radiative Transfer20132,810
24Determination of the equivalence point in potentiometric titrations. Part IIAnalyst, The19522,650
25Iolite: Freeware for the visualisation and processing of mass spectrometric dataJournal of Analytical Atomic Spectrometry20112,629
26The HITRAN 2004 molecular spectroscopic databaseJournal of Quantitative Spectroscopy and Radiative Transfer20052,601
27Raman microspectroscopy of some iron oxides and oxyhydroxidesJournal of Raman Spectroscopy19972,573
28Graphene Oxide Dispersions in Organic SolventsLangmuir20082,511
29Photodegradation Performance of g-C3N4 Fabricated by Directly Heating MelamineLangmuir20092,435
30Formation of Titanium Oxide NanotubeLangmuir19982,330
31PARAFAC. Tutorial and applicationsChemometrics and Intelligent Laboratory Systems19972,318
32TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shiftsJournal of Biomolecular NMR20092,305
33Box-Behnken design: An alternative for the optimization of analytical methodsAnalytica Chimica Acta20072,226
341H, 13C and 15N chemical shift referencing in biomolecular NMRJournal of Biomolecular NMR19952,216
35The determination of amino-acids with ninhydrinAnalyst, The19552,126
36The fitting and prediction of vibration-rotation spectra with spin interactionsJournal of Molecular Spectroscopy19912,045
37Pretreatment of Lignocellulosic Wastes to Improve Ethanol and Biogas Production: A ReviewInternational Journal of Molecular Sciences20082,011
38Intrinsically disordered proteinJournal of Molecular Graphics and Modelling20012,005
39The 13C Chemical-Shift Index: A simple method for the identification of protein secondary structure using 13C chemical-shift dataJournal of Biomolecular NMR19941,971
40Raman spectrum of anatase, TiO2Journal of Raman Spectroscopy19781,959
41Spectra of porphyrinsJournal of Molecular Spectroscopy19611,952
42Silver Nanoparticles: Synthesis, Characterization, Properties, Applications, and Therapeutic ApproachesInternational Journal of Molecular Sciences20161,931
43The NLRP3 Inflammasome: An Overview of Mechanisms of Activation and RegulationInternational Journal of Molecular Sciences20191,900
44Sensitive optical biosensors for unlabeled targets: A reviewAnalytica Chimica Acta20081,895
45Review of the most common pre-processing techniques for near-infrared spectraTrAC - Trends in Analytical Chemistry20091,894
46Fiber tracking: principles and strategies - a technical reviewNMR in Biomedicine20021,859
47Raman Spectroscopy of Biological TissuesApplied Spectroscopy Reviews20071,857
48MassBank: a public repository for sharing mass spectral data for life sciencesJournal of Mass Spectrometry20101,831
49THE HITRAN MOLECULAR SPECTROSCOPIC DATABASE AND HAWKS (HITRAN ATMOSPHERIC WORKSTATION): 1996 EDITIONJournal of Quantitative Spectroscopy and Radiative Transfer19981,794
50Synthesis of Nanosized Gold−Silica Core−Shell ParticlesLangmuir19961,766
51Mass spectrometry-based metabolomicsMass Spectrometry Reviews20071,754
52Alkanethiolate Gold Cluster Molecules with Core Diameters from 1.5 to 5.2 nm:  Core and Monolayer Properties as a Function of Core SizeLangmuir19981,750
53Natural deep eutectic solvents as new potential media for green technologyAnalytica Chimica Acta20131,748
54Chemical and microphysical characterization of ambient aerosols with the aerodyne aerosol mass spectrometerMass Spectrometry Reviews20071,708
55Generalized Two-Dimensional Correlation Method Applicable to Infrared, Raman, and other Types of SpectroscopyApplied Spectroscopy19931,689
56Petal Effect:  A Superhydrophobic State with High Adhesive ForceLangmuir20081,682
57SUBMILLIMETER, MILLIMETER, AND MICROWAVE SPECTRAL LINE CATALOGJournal of Quantitative Spectroscopy and Radiative Transfer19981,674
58Ultrahydrophobic Surfaces. Effects of Topography Length Scales on WettabilityLangmuir20001,656
59The Mahalanobis distanceChemometrics and Intelligent Laboratory Systems20001,649
60A Survey of Structure−Property Relationships of Surfaces that Resist the Adsorption of ProteinLangmuir20011,648
61A review of heavy metal contaminations in urban soils, urban road dusts and agricultural soils from ChinaMicrochemical Journal20101,630
62A multiplatform code for the analysis of energy-dispersive X-ray fluorescence spectraSpectrochimica Acta, Part B: Atomic Spectroscopy20071,612
631H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effectsJournal of Biomolecular NMR19951,604
64Super-Water-Repellent Fractal SurfacesLangmuir19961,586
65Python: a programming language for software integration and developmentJournal of Molecular Graphics and Modelling19991,586
66The program XEASY for computer-supported NMR spectral analysis of biological macromoleculesJournal of Biomolecular NMR19951,570
67Least squares formulation of robust non-negative factor analysisChemometrics and Intelligent Laboratory Systems19971,560
68Metal Oxide Nanoparticles as Bactericidal AgentsLangmuir20021,550
69HITEMP, the high-temperature molecular spectroscopic databaseJournal of Quantitative Spectroscopy and Radiative Transfer20101,550
70Surface-enhanced Raman spectroscopy: a brief retrospectiveJournal of Raman Spectroscopy20051,538
71An extensively modified version of MolScript that includes greatly enhanced coloring capabilitiesJournal of Molecular Graphics and Modelling19971,533
72Photodegradation of Rhodamine B and Methyl Orange over Boron-Doped g-C3N4 under Visible Light IrradiationLangmuir20101,529
73Atmospheric radiative transfer modeling: a summary of the AER codesJournal of Quantitative Spectroscopy and Radiative Transfer20051,523
74Performance of some variable selection methods when multicollinearity is presentChemometrics and Intelligent Laboratory Systems20051,520
75SIMPLS: An alternative approach to partial least squares regressionChemometrics and Intelligent Laboratory Systems19931,517
76Electrospray ionization-principles and practiceMass Spectrometry Reviews19901,511
77Proton NMR chemical shifts and coupling constants for brain metabolitesNMR in Biomedicine20001,505
78The Cologne Database for Molecular Spectroscopy, CDMS: a useful tool for astronomers and spectroscopistsJournal of Molecular Structure20051,496
79Heteronuclear multidimensional NMR experiments for the structure determination of proteins in solution employing pulsed field gradientsProgress in Nuclear Magnetic Resonance Spectroscopy19991,490
80Diffusion ordered nuclear magnetic resonance spectroscopy: principles and applicationsProgress in Nuclear Magnetic Resonance Spectroscopy19991,481
81Biocompatibility of Gold Nanoparticles and Their Endocytotic Fate Inside the Cellular Compartment: A Microscopic OverviewLangmuir20051,479
82Physiological, Biochemical, and Molecular Mechanisms of Heat Stress Tolerance in PlantsInternational Journal of Molecular Sciences20131,470
83Size-Dependent Bacterial Growth Inhibition and Mechanism of Antibacterial Activity of Zinc Oxide NanoparticlesLangmuir20111,467
84Tailoring Surface Plasmons through the Morphology and Assembly of Metal NanoparticlesLangmuir20061,462
85FTIR techniques in clay mineral studiesVibrational Spectroscopy20031,457
86Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithmJournal of Molecular Graphics and Modelling20121,449
87Automatic quantitation of localizedin vivo1H spectra with LCModelNMR in Biomedicine20011,447
88Determination of the V2p XPS binding energies for different vanadium oxidation states (V5+ to V0+)Journal of Electron Spectroscopy and Related Phenomena20041,420
89Iron oxide MR contrast agents for molecular and cellular imagingNMR in Biomedicine20041,404
90Guidelines and recommended terms for expression of stable‐isotope‐ratio and gas‐ratio measurement resultsRapid Communications in Mass Spectrometry20111,404
91Obesity and Its Metabolic Complications: The Role of Adipokines and the Relationship between Obesity, Inflammation, Insulin Resistance, Dyslipidemia and Nonalcoholic Fatty Liver DiseaseInternational Journal of Molecular Sciences20141,403
92Stability of curcumin in buffer solutions and characterization of its degradation productsJournal of Pharmaceutical and Biomedical Analysis19971,401
93Kinetically Controlled Seeded Growth Synthesis of Citrate-Stabilized Gold Nanoparticles of up to 200 nm: Size Focusing versus Ostwald RipeningLangmuir20111,394
94The HITRAN molecular database: Editions of 1991 and 1992Journal of Quantitative Spectroscopy and Radiative Transfer19921,378
95Inferring microstructural features and the physiological state of tissues from diffusion-weighted imagesNMR in Biomedicine19951,355
96Application of Large Pore MCM-41 Molecular Sieves To Improve Pore Size Analysis Using Nitrogen Adsorption MeasurementsLangmuir19971,345
97Inter-laboratory note. Laser ablation inductively coupled plasma mass spectrometric transient signal data acquisition and analyte concentration calculationJournal of Analytical Atomic Spectrometry19961,342
98Fourier transform pulsed-gradient spin-echo studies of molecular diffusionProgress in Nuclear Magnetic Resonance Spectroscopy19871,328
99XCrySDen—a new program for displaying crystalline structures and electron densitiesJournal of Molecular Graphics and Modelling19991,315
100Light scattering and the absolute characterization of macromoleculesAnalytica Chimica Acta19931,313