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PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8293326/view Article Title Evaluation of the Sensitivity of Proteomics Methods Using the Absolute Copy Number of Proteins in a Single Cell as a MetricAuthors Benjamin C. OrsburnAbstract Proteomic technology has improved at a staggering pace in recent years, with even practitioners challenged to keep up with new methods and hardware. The most common metric used for method performance is the number of peptides and proteins identified. While this metric may be helpful for proteomics researchers shopping for new hardware, this is often not the most biologically relevant metric. Biologists often utilize proteomics in the search for protein regulators that are of a lower relative copy number in the cell. In this review, I re-evaluate untargeted proteomics data using a simple graphical representation of the absolute copy number of proteins present in a single cancer cell as a metric. By comparing single-shot proteomics data to the coverage of the most in-depth proteomic analysis of that cell line acquired to date, we can obtain a rapid metric of method performance. Using a simple copy number metric allows visualization of how proteomics has developed in both sensitivity and overall dynamic range when using both relatively long and short acquisition times. To enable reanalysis beyond what is presented here, two available web applications have been developed for single- and multi-experiment comparisons with reference protein copy number data for multiple cell lines and organisms.Is Part Of Proteomes 2021-07-20 , Vol.9 (3) Identifier ISSN: 2227-7382 DOI 10.3390/proteomes9030034Publisher MDPICategory proteomics; protein informatics; mass spectrometry; single cell; copy numberLicense https://creativecommons.org/licenses/by/4.0/ Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8293329/view Article Title Downregulation of Salivary Proteins, Protective against Dental Caries, in Type 1 DiabetesAuthors Eftychia Pappa; Konstantinos Vougas; Jerome Zoidakis; William Papaioannou; Christos Rahiotis; Heleni VastardisAbstract Saliva, an essential oral secretion involved in protecting the oral cavity’s hard and soft tissues, is readily available and straightforward to collect. Recent studies have analyzed the salivary proteome in children and adolescents with extensive carious lesions to identify diagnostic and prognostic biomarkers. The current study aimed to investigate saliva’s diagnostic ability through proteomics to detect the potential differential expression of proteins specific for the occurrence of carious lesions. For this study, we performed bioinformatics and functional analysis of proteomic datasets, previously examined by our group, from samples of adolescents with regulated and unregulated type 1 diabetes, as they compare with healthy controls. Among the differentially expressed proteins relevant to caries pathology, alpha-amylase 2B, beta-defensin 4A, BPI fold containing family B member 2, protein S100-A7, mucin 5B, statherin, salivary proline-rich protein 2, and interleukin 36 gamma were significantly downregulated in poorly-controlled patients compared to healthy subjects. In addition, significant biological pathways (defense response to the bacterium, beta-defensin activity, proline-rich protein activity, oxygen binding, calcium binding, and glycosylation) were deregulated in this comparison, highlighting specific molecular characteristics in the cariogenic process. This analysis contributes to a better understanding of the mechanisms involved in caries vulnerability in adolescents with unregulated diabetes.Is Part Of Proteomes 2021-07-19 , Vol.9 (3) Identifier ISSN: 2227-7382 DOI 10.3390/proteomes9030033Publisher MDPICategory saliva; proteome; caries; diabetes; bioinformatics; proteomicsLicense https://creativecommons.org/licenses/by/4.0/ Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8293466/view Article Title Commuting to Work: Nucleolar Long Non-Coding RNA Control Ribosome Biogenesis from Near and FarAuthors Victoria Mamontova; Barbara Trifault; Lea Boten; Kaspar BurgerAbstract Gene expression is an essential process for cellular growth, proliferation, and differentiation. The transcription of protein-coding genes and non-coding loci depends on RNA polymerases. Interestingly, numerous loci encode long non-coding (lnc)RNA transcripts that are transcribed by RNA polymerase II (RNAPII) and fine-tune the RNA metabolism. The nucleolus is a prime example of how different lncRNA species concomitantly regulate gene expression by facilitating the production and processing of ribosomal (r)RNA for ribosome biogenesis. Here, we summarise the current findings on how RNAPII influences nucleolar structure and function. We describe how RNAPII-dependent lncRNA can both promote nucleolar integrity and inhibit ribosomal (r)RNA synthesis by modulating the availability of rRNA synthesis factors in trans. Surprisingly, some lncRNA transcripts can directly originate from nucleolar loci and function in cis. The nucleolar intergenic spacer (IGS), for example, encodes nucleolar transcripts that counteract spurious rRNA synthesis in unperturbed cells. In response to DNA damage, RNAPII-dependent lncRNA originates directly at broken ribosomal (r)DNA loci and is processed into small ncRNA, possibly to modulate DNA repair. Thus, lncRNA-mediated regulation of nucleolar biology occurs by several modes of action and is more direct than anticipated, pointing to an intimate crosstalk of RNA metabolic events.Is Part Of Non-Coding RNA 2021-07-14 , Vol.7 (3) Identifier ISSN: 2311-553X DOI 10.3390/ncrna7030042Publisher MDPICategory long non-coding RNA; RNA polymerase II; nucleolus; ribosome biogenesisLicense https://creativecommons.org/licenses/by/4.0/ Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8313983/view Article Title Handling Variables, via Inversion of Partial Least Squares Models for Class-Modelling, to Bring Defective Items to Non-Defective OnesAuthors Santiago Ruiz; Luis Antonio Sarabia; María Sagrario Sánchez; María Cruz OrtizAbstract In the context of binary class-modelling techniques, the paper presents the computation in the input space of linear boundaries of a class-model constructed with given values of sensitivity and specificity. This is done by inversion of a decision threshold, set with these values of sensitivity and specificity, in the probabilistic class-models computed by means of PLS-CM (Partial Least Squares for Class-Modelling). The characterization of the boundary hyperplanes, in the latent space (space spanned by the selected latent variables of the fitted PLS model) or in the input space, makes it possible to calculate directions that can be followed to move objects toward the class-model of interest. Different points computed along these directions will show how to modify the input variables (provided they can be manipulated) so that, eventually, a computed ‘object’ would be inside the class-model, in terms of the prediction with the PLS model. When the class of interest is that of “adequate” objects, as for example in some process control or product formulation, the proposed procedure helps in answering the question about how to modify the input variables so that a defective object would be inside the class-model of the adequate (non-defective) ones. This is the situation illustrated with some examples, taken from the literature when modelling the class of adequate objects.Is Part Of Frontiers in Chemistry 2021-07-13 , Vol.9 Identifier ISSN: 2296-2646 DOI 10.3389/fchem.2021.681958Publisher Frontiers Media S.A.Category process analytical technology; partial least squares; class-modelling; sensitivity/specificity; latent variables model inversion; authentication; attributesLicense https://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8293473/view Article Title A Novel Urinary Proteomics Classifier for Non-Invasive Evaluation of Interstitial Fibrosis and Tubular Atrophy in Chronic Kidney DiseaseAuthors Lorenzo Catanese; Justyna Siwy; Emmanouil Mavrogeorgis; Kerstin Amann; Harald Mischak; Joachim Beige; Harald RupprechtAbstract Non-invasive urinary peptide biomarkers are able to detect and predict chronic kidney disease (CKD). Moreover, specific urinary peptides enable discrimination of different CKD etiologies and offer an interesting alternative to invasive kidney biopsy, which cannot always be performed. The aim of this study was to define a urinary peptide classifier using mass spectrometry technology to predict the degree of renal interstitial fibrosis and tubular atrophy (IFTA) in CKD patients. The urinary peptide profiles of 435 patients enrolled in this study were analyzed using capillary electrophoresis coupled with mass spectrometry (CE-MS). Urine samples were collected on the day of the diagnostic kidney biopsy. The proteomics data were divided into a training (n = 200) and a test (n = 235) cohort. The fibrosis group was defined as IFTA ≥ 15% and no fibrosis as IFTA < 10%. Statistical comparison of the mass spectrometry data enabled identification of 29 urinary peptides with differential occurrence in samples with and without fibrosis. Several collagen fragments and peptide fragments of fetuin-A and others were combined into a peptidomic classifier. The classifier separated fibrosis from non-fibrosis patients in an independent test set (n = 186) with area under the curve (AUC) of 0.84 (95% CI: 0.779 to 0.889). A significant correlation of IFTA and FPP_BH29 scores could be observed Rho = 0.5, p < 0.0001. We identified a peptidomic classifier for renal fibrosis containing 29 peptide fragments corresponding to 13 different proteins. Urinary proteomics analysis can serve as a non-invasive tool to evaluate the degree of renal fibrosis, in contrast to kidney biopsy, which allows repeated measurements during the disease course.Is Part Of Proteomes 2021-07-13 , Vol.9 (3) Identifier ISSN: 2227-7382 DOI 10.3390/proteomes9030032Publisher MDPICategory fibrosis; urine; peptides; IFTA; biomarkersLicense https://creativecommons.org/licenses/by/4.0/ Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8314212/view Article Title Review on Recent Progress in Magnetic Nanoparticles: Synthesis, Characterization, and Diverse ApplicationsAuthors Arbab Ali; Tufail Shah; Rehmat Ullah; Pingfan Zhou; Manlin Guo; Muhammad Ovais; Zhiqiang Tan; YuKui RuiAbstract Diverse applications of nanoparticles (NPs) have revolutionized various sectors in society. In the recent decade, particularly magnetic nanoparticles (MNPs) have gained enormous interest owing to their applications in specialized areas such as medicine, cancer theranostics, biosensing, catalysis, agriculture, and the environment. Controlled surface engineering for the design of multi-functional MNPs is vital for achieving desired application. The MNPs have demonstrated great efficacy as thermoelectric materials, imaging agents, drug delivery vehicles, and biosensors. In the present review, first we have briefly discussed main synthetic methods of MNPs, followed by their characterizations and composition. Then we have discussed the potential applications of MNPs in different with representative examples. At the end, we gave an overview on the current challenges and future prospects of MNPs. This comprehensive review not only provides the mechanistic insight into the synthesis, functionalization, and application of MNPs but also outlines the limits and potential prospects.Is Part Of Frontiers in Chemistry 2021-07-13 , Vol.9 Identifier ISSN: 2296-2646 DOI 10.3389/fchem.2021.629054Publisher Frontiers Media S.A.Category magnetic nanoparticles; synthesis; characterization; composition; applicationsLicense https://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8311462/view Article Title Hypochlorite-Activated Fluorescence Emission and Antibacterial Activities of Imidazole Derivatives for Biological ApplicationsAuthors Thanh Chung Pham; Van-Nghia Nguyen; Yeonghwan Choi; Dongwon Kim; Ok-Sang Jung; Dong Joon Lee; Hak Jun Kim; Myung Won Lee; Juyoung Yoon; Hwan Myung Kim; Songyi LeeAbstract The ability to detect hypochlorite (HOCl/ClO−) in vivo is of great importance to identify and visualize infection. Here, we report the use of imidazoline-2-thione (R 1 SR 2) probes, which act to both sense ClO− and kill bacteria. The N2C=S moieties can recognize ClO− among various typical reactive oxygen species (ROS) and turn into imidazolium moieties (R 1 IR 2) via desulfurization. This was observed through UV–vis absorption and fluorescence emission spectroscopy, with a high fluorescence emission quantum yield (ՓF = 43–99%) and large Stokes shift (∆v∼115 nm). Furthermore, the DIM probe, which was prepared by treating the DSM probe with ClO−, also displayed antibacterial efficacy toward not only Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) but also methicillin-resistant Staphylococcus aureus (MRSA) and extended-spectrum ß-lactamase–producing Escherichia coli (ESBL-EC), that is, antibiotic-resistant bacteria. These results suggest that the DSM probe has great potential to carry out the dual roles of a fluorogenic probe and killer of bacteria.Is Part Of Frontiers in Chemistry 2021-07-12 , Vol.9 Identifier ISSN: 2296-2646 DOI 10.3389/fchem.2021.713078Publisher Frontiers Media S.A.Category fluorescent sensor; fluorogenic probe; hypochlorite sensor; antibacterial effect; probe–killerLicense https://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8311291/view Article Title Editorial: Advances in Density Functional Theory and Beyond for Computational ChemistryAuthors Wei Hu; Mohan ChenIs Part Of Frontiers in Chemistry 2021-07-12 , Vol.9 Identifier ISSN: 2296-2646 DOI 10.3389/fchem.2021.705762Publisher Frontiers Media S.A.Category density functional theory; low-scaling algorithms; machine learning; excited-state; high-performance computingLicense https://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8311460/view Article Title Synthesis and Antifungal Activity of Pyrimidine Derivatives Containing an Amide MoietyAuthors Wenneng Wu; Wenjun Lan; Chenyan Wu; Qiang FeiAbstract In this study, 17 novel pyrimidine derivatives containing an amide moiety were synthesized. Then their in vitro antifungal activities against Botryosphaeria dothidea (B. dothidea), Phomopsis sp., and Botrytis cinereal (B. cinereal) were determined. A preliminary biological test showed that compounds 5-bromo-2-fluoro-N-(2-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)oxy)phenyl)benzamide (5f) and 5-bromo-2-fluoro-N-(3-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)oxy)phenyl)benzamide (5o) exhibited higher antifungal activity against Phomopsis sp., with an inhibition rate of 100% compared to that of Pyrimethanil at 85.1%. In particular, compound 5o exhibited excellent antifungal activity against Phompsis sp., with the EC50 value of 10.5 μg/ml, which was even better than that of Pyrimethanil (32.1 μg/ml). As far as we know, this is the first report on the antifungal activities against B. dothidea, Phomopsis sp., and B. cinereal of this series of pyrimidine derivatives containing an amide moiety.Is Part Of Frontiers in Chemistry 2021-07-12 , Vol.9 Identifier ISSN: 2296-2646 DOI 10.3389/fchem.2021.695628Publisher Frontiers Media S.A.Category pyrimidine; amide; synthesize; antifungal activity; kiwifruit soft rot diseaseLicense https://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. -
PMC OpenAccess
Subject 화학 Source PMC OpenAccess URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8293398/view Article Title Non-Coding, RNAPII-Dependent Transcription at the Promoters of rRNA Genes Regulates Their Chromatin State in S. cerevisiaeAuthors Emma Lesage; Jorge Perez-Fernandez; Sophie Queille; Christophe Dez; Olivier Gadal; Marta KwapiszAbstract Pervasive transcription is widespread in eukaryotes, generating large families of non-coding RNAs. Such pervasive transcription is a key player in the regulatory pathways controlling chromatin state and gene expression. Here, we describe long non-coding RNAs generated from the ribosomal RNA gene promoter called UPStream-initiating transcripts (UPS). In yeast, rDNA genes are organized in tandem repeats in at least two different chromatin states, either transcribed and largely depleted of nucleosomes (open) or assembled in regular arrays of nucleosomes (closed). The production of UPS transcripts by RNA Polymerase II from endogenous rDNA genes was initially documented in mutants defective for rRNA production by RNA polymerase I. We show here that UPS are produced in wild-type cells from closed rDNA genes but are hidden within the enormous production of rRNA. UPS levels are increased when rDNA chromatin states are modified at high temperatures or entering/leaving quiescence. We discuss their role in the regulation of rDNA chromatin states and rRNA production.Is Part Of Non-Coding RNA 2021-07-11 , Vol.7 (3) Identifier ISSN: 2311-553X DOI 10.3390/ncrna7030041Publisher MDPICategory UPS; RNA polymerase I (RNAPI); RNA polymerase II (RNAPII); ribosomal DNA (rDNA); ribosomal RNA (rRNA); long non-coding RNA (lncRNA)License https://creativecommons.org/licenses/by/4.0/ Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).