Resultados de investigación

Description., Methods and software necessary to open the files.

STM-ncAFM from IMDEA Nanociencia Institute and CATRIN under ultra-high vacuum conditions at 4K, acquired between 2018 and 03.2023, *.txt *.jpg *.docx files, *.WSxM files can be opened with Origin

STM/STS and XPS data acquried at IMDEA Nanociencia laboratories, The software to open the STP files is WSxM.

Most data can be accessed with any program that reads csv and txt. FLUPS data needs the Surface explorer program from Ultrafast systems. FLUPS and TAS raw data need processing, but processed data is also given. TEM data needs an image processor like ImageJ.

Processivity or number of nucleotides unwound is expressed in base pairs and velocities in base pairs per second., Data can be processed using Origin, Excel or related software.

This is the underlying data of the publication: "Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells" (DOI: 10.1039/D1SC01939B). Data of Fig. 2, 3, 4, S25, S26, S27, S28, S29, S30, S31, S32, S33, S34, S35, S36, S37, S38, S39, and Table 1, 2, 3, S5 and S6 is included., A description of the convention used for compound names is attached in the .zip file.

(i) Multiplet calculations for TDA+Er; (ii) Point charges for multiplet calculations for TDA+Er; (iii) STM images; (iv) STS data; (v) XAS, XMCD and XLD data for TDA+Er

STM images, STS data, XAS/XMCD/XMD data, The software to open the STP files is WSxM.

We present 3 analysis codes used for data analysis in the article "Transition-path times of molecular shuttles under mechanical equilibrium show symmetry", DOI: 10.26434/chemrxiv-2024-w3twb - Baseline_correction.m This code substracts a polynomial baseline from extension vs time traces acquired at a constant force by optical tweezers. It returns a .dat file containing the corrected trace (without baseline and centered) that can be used to perform LTFT analysis and extract DeltaG following Bier-Astumian formalism. - LTFT_analysis.m This code finds the distribution of transit times between two user-defined boundaries (a and b), and includes an statistical analysis that evaluates the differences between symmetric paths a-->b and b-->a, and asseses the significance of the differences. - deltaG_BierAstumian.m This code calculates transition probabilities P[a→b,Δt], P[b→a,Δt], their ratio and resulting ΔG (Bier-Astumian relation) for user-defined values of a and b. A test data file (test_trace.dat) is included to test the codes.

A) BJ datasets: File list:LengthHBCalk;Length7HBCalk;Gz7HBCalk;1DHistHBCSMe-7-HBC-SMe;1DHisClustersHBCalk-7-HBC-alk;1DHis7HBCalkSeveralrounds. Relationship between files:1D histograms, length distributions, and examples of breaking traces. Description of methods used for collection/generation of data: STM-BJ technique (-0,16 Vias Voltage). Methods for processing the data: alignement at G0, plateau finding macro, clustering separation when needed. Environmental/experimental conditions: air, RT. Format:.TXT. B) NMR datasets: File list:NMR7-HBC-alk;NMR7-HBC-SMe;NMRHBC-SMe;NMRHBC-alk Relationship between files:NMR of the prepared compounds. Description of methods used for collection/generation of data: Bruker (400 MHz). Methods for processing the data: solevent peak adjustment. Environmental/experimental conditions:CDCl3 or CD2Cl2. Format: CSV, compatible with any spectrum analysis program., Any program that reads .txt files