BUSCADOR RECOLECTA

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13 pages. -- The file includes: Chemical analysis of pesticides. -- Table S1. Mass spectrometer parameters for 2,4-D and fipronil. -- Quality assurance/Quality control. -- Table S2. Linear range, limit of quantification (LOQ) and determination coefficient (R2) for 2,4-D and fipronil using external calibration method. -- Table S2. Linear range, limit of quantification (LOQ) and determination coefficient (R2) for 2,4-D and fipronil using external calibration method. -- Figure S1. Overview of system (Heterogeneous Multi-Habitat Test System - HeMHAS) used in the present study, featuring the compartment, the piece that connect the compartments and the gyratory door. -- Table S4: Values (mean ± standard deviation) of fipronil and 2,4-D determined at each concentration tested in the avoidance experiments to insecticide and herbicide, respectively, in micrograms per liter (μg/L). -- Table S5: Values (mean ± standard deviation) of fipronil and 2,4-D, determined at each concentration tested in the avoidance experiment to herbicide and insecticide, respectively, in micrograms per liter (μg/L). -- Table S6a: Mixed-design ANOVA for avoidance test with D. rerio exposed to fipronil at 20 °C. -- Table S6b:4Within-subjects effects with Greenhouse-Geisser correction for degrees of freedom. -- Table S6c:5Between-subjects effects. -- Table S7a:6Mixed-design ANOVA for avoidance test with D. rerio exposed to fipronil at 24 °C. -- Table S7b:7Within-subjects effects. -- Table S7c:8Between-subjects effects. -- Table S8a:9Mixed-design ANOVA for avoidance test with D. rerio exposed to fipronil at 28 °C. Table S8b:10Within-subjects effects. -- Table S8c:11Between-subjects effects. -- Table S9a:12Mixed-design ANOVA for avoidance test with D. rerio exposed to 2,4-D at 20 °C. -- Table S9b:13Within-subjects effects. -- Table S9c:14Between-subjects effects. -- Table S10a:15Mixed-design ANOVA for avoidance test with D. rerio exposed to 2,4-D at 24 °C. -- Table S10b:16Within-subjects effects. -- Table S10c:17Between-subjects effects. -- Table S11a:18Mixed-design ANOVA for avoidance test with D. rerio exposed to 2,4-D at 28 °C. -- Table S11b:19Within-subjects effects with Greenhouse-Geisser correction for degrees of freedom. -- Table S11c:20Between-subjects effects. -- Table S12:21Final results (mean ± standard error of the percentages of fish) for the avoidance experiments per zones - pesticide mixtures at different air temperatures (20, 24 and 28 degrees)., Peer reviewed

2 pages. -- Supplementary figure 1: Distribution of D. rerio juveniles along the gradients of Glyphosate, Chlorpyrifos and Chlorothalonil, throughout the three-hour period of exposure to the gradient of each substance individually. -- Supplementary figure 2. Distribution of D. rerio juveniles along the gradients of a mixture of Glyphosate-Chlorpyrifos, and Glyphosate-Chlorothalonil, throughout the three-hour period of exposure in the open gradient of each mixture., Peer reviewed

Chronic lymphocytic leukemia (CLL) is a lymphoid neoplasm characterized by the accumulation of mature B cells. The diagnosis is established by the detection of monoclonal B lymphocytes in peripheral blood, even in early stages [monoclonal B-cell lymphocytosis (MBLhi)], and its clinical course is highly heterogeneous. In fact, there are well-characterized multiple prognostic factors that are also related to the observed genetic heterogenicity, such as immunoglobulin heavy chain variable region (IGHV) mutational status, del17p, and TP53 mutations, among others. Moreover, a dysregulation of the immune system (innate and adaptive immunity) has been observed in CLL patients, with strong impact on immune surveillance and consequently on the onset, evolution, and therapy response. In addition, the tumor microenvironment is highly complex and heterogeneous (i.e., matrix, fibroblast, endothelial cells, and immune cells), playing a critical role in the evolution of CLL. In this study, a quantitative profile of 103 proteins (cytokines, chemokines, growth/regulatory factors, immune checkpoints, and soluble receptors) in 67 serum samples (57 CLL and 10 MBLhi) has been systematically evaluated. Also, differential profiles of soluble immune factors that discriminate between MBLhi and CLL (sCD47, sCD27, sTIMD-4, sIL-2R, and sULBP-1), disease progression (sCD48, sCD27, sArginase-1, sLAG-3, IL-4, and sIL-2R), or among profiles correlated with other prognostic factors, such as IGHV mutational status (CXCL11/I-TAC, CXCL10/IP-10, sHEVM, and sLAG-3), were deciphered. These results pave the way to explore the role of soluble immune checkpoints as a promising source of biomarkers in CLL, to provide novel insights into the immune suppression process and/or dysfunction, mostly on T cells, in combination with cellular balance disruption and microenvironment polarization leading to tumor escape., Peer reviewed

Chronic lymphocytic leukemia (CLL) is a lymphoid neoplasm characterized by the accumulation of mature B cells. The diagnosis is established by the detection of monoclonal B lymphocytes in peripheral blood, even in early stages [monoclonal B-cell lymphocytosis (MBLhi)], and its clinical course is highly heterogeneous. In fact, there are well-characterized multiple prognostic factors that are also related to the observed genetic heterogenicity, such as immunoglobulin heavy chain variable region (IGHV) mutational status, del17p, and TP53 mutations, among others. Moreover, a dysregulation of the immune system (innate and adaptive immunity) has been observed in CLL patients, with strong impact on immune surveillance and consequently on the onset, evolution, and therapy response. In addition, the tumor microenvironment is highly complex and heterogeneous (i.e., matrix, fibroblast, endothelial cells, and immune cells), playing a critical role in the evolution of CLL. In this study, a quantitative profile of 103 proteins (cytokines, chemokines, growth/regulatory factors, immune checkpoints, and soluble receptors) in 67 serum samples (57 CLL and 10 MBLhi) has been systematically evaluated. Also, differential profiles of soluble immune factors that discriminate between MBLhi and CLL (sCD47, sCD27, sTIMD-4, sIL-2R, and sULBP-1), disease progression (sCD48, sCD27, sArginase-1, sLAG-3, IL-4, and sIL-2R), or among profiles correlated with other prognostic factors, such as IGHV mutational status (CXCL11/I-TAC, CXCL10/IP-10, sHEVM, and sLAG-3), were deciphered. These results pave the way to explore the role of soluble immune checkpoints as a promising source of biomarkers in CLL, to provide novel insights into the immune suppression process and/or dysfunction, mostly on T cells, in combination with cellular balance disruption and microenvironment polarization leading to tumor escape., Peer reviewed

59 pages. -- Contents: Point S1. Gaussian keywords used in the calculations. -- Figure S1. Experimental spectra of PFPG+g+/G-g- and its isotopologues species. -- Table S1-S7. Transition frequencies of PFPG+g+/G-g- and its isotopologues and PFPTg+/Tg-. -- Figure S2. Experimental spectra of the PFPTg+/Tg- monomer. -- Figure S3. Conformational interconversion barrier of the PFP conformers. -- Table S8-S10. Kraitchamn and STRFIT results of PFPG+g+/G-g. -- Table S11-S13. The semi-experimental equilibrium structural parameters of PFPG+g+/G-g-. -- Table S14. Spectroscopic properties of the predicted binary PFP conformers. -- Table S15-S19. Rotational transition frequencies of the five binary PFP conformers. -- Figure S4. QTAIM and NCI analyses of the five PFP and PrOH conformers. -- Figure S5. QTAIM and NCI analyses of the five binary PFP conformers. -- Completion of reference 24., Peer reviewed

Chronic lymphocytic leukemia (CLL) is a lymphoid neoplasm characterized by the accumulation of mature B cells. The diagnosis is established by the detection of monoclonal B lymphocytes in peripheral blood, even in early stages [monoclonal B-cell lymphocytosis (MBLhi)], and its clinical course is highly heterogeneous. In fact, there are well-characterized multiple prognostic factors that are also related to the observed genetic heterogenicity, such as immunoglobulin heavy chain variable region (IGHV) mutational status, del17p, and TP53 mutations, among others. Moreover, a dysregulation of the immune system (innate and adaptive immunity) has been observed in CLL patients, with strong impact on immune surveillance and consequently on the onset, evolution, and therapy response. In addition, the tumor microenvironment is highly complex and heterogeneous (i.e., matrix, fibroblast, endothelial cells, and immune cells), playing a critical role in the evolution of CLL. In this study, a quantitative profile of 103 proteins (cytokines, chemokines, growth/regulatory factors, immune checkpoints, and soluble receptors) in 67 serum samples (57 CLL and 10 MBLhi) has been systematically evaluated. Also, differential profiles of soluble immune factors that discriminate between MBLhi and CLL (sCD47, sCD27, sTIMD-4, sIL-2R, and sULBP-1), disease progression (sCD48, sCD27, sArginase-1, sLAG-3, IL-4, and sIL-2R), or among profiles correlated with other prognostic factors, such as IGHV mutational status (CXCL11/I-TAC, CXCL10/IP-10, sHEVM, and sLAG-3), were deciphered. These results pave the way to explore the role of soluble immune checkpoints as a promising source of biomarkers in CLL, to provide novel insights into the immune suppression process and/or dysfunction, mostly on T cells, in combination with cellular balance disruption and microenvironment polarization leading to tumor escape., Peer reviewed

29 pages. -- PDF file includes: Strong-field coherence breaking (SFCB) details; Internal rotation methyl barrier of 4-methyl guaiacol (MG). -- Figure S1: Experimental and simulated variation of the internal rotational barrier of methyl group. -- Figure S2: Summary of bond changes of lignin relative to the average bond length rC-C. -- Figure S3: Optimized structure of guaiacol at B3LYP-D3BJ/def2tzvp level of theory. -- Table S1: Experimental and calculated constants derived from the broadband rotational spectrum of guaiacol. -- Table S2: List of spectroscopic parameters used to fit guaiacol isotopomers. -- Table S3: Experimental and calculated constants derived from the broadband rotational spectrum of syringol. -- Table S4: Molecular parameters of 4-methyl guaiacol. -- Table S5: Molecular parameters for Z- and E-4-vinyl guaiacol. -- Table S6: Line list of transitions fitted for guaiacol (G). -- Table S8: Line list of transitions fitted for 13C(2) guaiacol. -- Table S9: Line list of transitions fitted for 13C(3) guaiacol. -- Table S10: Line list of transitions fitted for 13C(4) guaiacol. -- Table S11: Line list of transitions fitted for 13C(5) guaiacol. -- Table S12: Line list of transitions fitted for 13C(6) guaiacol. -- Table S13: Line list of transitions fitted for 13C(7) guaiacol. -- Table S14: Line list of transitions fitted for syringol (S). -- Table S15: Line list of transitions fitted for methyl guaiacol (MG). -- Table S16: Line list of transitions fitted for vinyl guaiacol (Z-VG). -- Table S17: Line list of transitions fitted for vinyl guaiacol (E-VG)., Peer reviewed

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S1 Table: Top table of the differential expressed proteins between AF and no AF. Results from the discovery study., Results from the discovery study. Proteins selected to be verified in the whole Phase 1 are highlighted in grey. Proteins in bold but not highlighted were already tested in the whole phase 1 as part of a previous published work., Peer reviewed