DataSheet1_Study on the Production Decline Characteristics of Shale Oil: Case Study of Jimusar Field.docx

The productivity of horizontal shale oil wells is low. To achieve cost-effective development, hydraulic fracturing techniques are often used. After hydraulic fracturing, wells have a high initial production rate. After a period of production, the production rate will decline rapidly and then remain low for an extended period of time. The study of the decline characteristics of horizontal wells is of great importance. We have collected development data from 94 horizontal wells in the Jimusar field. Some classical decline curve methods, such as the “power law–loss ratio” rate decline model, the stretch exponential equation, and the Duong decline curve, can be used to fit the production history. For example, Wells JHW018, JI172_H, and JI36_H were analyzed for production variations at different stages after the onset of production decline. On the basis of the performance of the parameters in typical wells, it was found that only Valko extended decline curves could be used to obtain satisfactory prediction results. A controlled fracture decline rate is proposed to describe the extent of the initial decline. The findings of this study can help for better predict of shale reservoir production after volume fracturing.</p

DataSheet1_RNA m6A Methylation Regulators Multi-Omics Analysis in Prostate Cancer.ZIP

RNA N6-methyladenosine (m6A) methylation is known to be the most popular RNA modification in animals. Many research reports have elaborated on the effects of m6A regulators in medical practice, such as diagnosis, prognosis, and treatment. M6A modification has evident impacts on many aspects of RNA metabolism, just like RNA splicing, processing, translation, and stability. M6A also has a magnificent role in numerous types of cancers. We analyzed the prostate cancer datasets, from The Cancer Genome Atlas (TCGA) database, for every recognized m6A regulator in their gene expression, DNA methylation status and copy number variations (CNVs). We also systematically analyzed the relationship between different m6A regulators and the prognosis of prostate cancer. The results illustrated considerable differences in the expression of various m6A regulators between the prostate and normal cancer samples. At the same time, there were evident differences in the expression of various m6A regulators in prostate cancers with different Gleason scores. Subsequently, we determined CBLL1, FTO, YTHDC1, HNRNPA2B1 as crucial m6A regulators of prostate cancer. Premised on the expression of CBLL1, we also identified potential therapeutic agents for prostate cancer, and knockdown of HNRNPA2B1 prominently inhibited prostate cells migration and invasion in vitro experiment.</p

Theoretical Insights into the Mechanism and Stereoselectivity of Olefin Cyclopropanation Catalyzed by Two Engineered Cytochrome P450 Enzymes

Engineered P450s can catalyze some non-natural reactions with high efficiency and excellent selectivity, such as the carbine transfer, nitrene transfer, C–H insertion, and C–H amination, opening alternative routes for sustainable production of chemicals. Recent experiments revealed that two engineered cytochrome P450 enzymes (P450BM3-CIS and P411BM3-CIS) show different efficiencies and stereoselectivities in the olefin cyclopropanation, but key factors that affect the activity remain unclear. In this work, both quantum mechanics (QM) and QM/molecular mechanics (MM) methods were employed to explore the catalytic reactions and selectivity of these two engineered cytochrome P450 enzymes. On the basis of our results, the cyclopropanation of styrene is suggested to mainly occur on the open-shell singlet (OSS) and triplet state surfaces, which contain two elementary steps. The reactive iron­(III)–porphyrin carbene (IPC) radical first attacks the terminal alkenyl group of styrene to form a C-radical intermediate, which then undergoes a cyclization reaction affording the cyclopropanation products. Importantly, it is found that the stereoselectivity of cyclopropanations is elucidated only if considering the real protein environment, and the stereoselectivity is determined by multiple factors, such as the relative orientation of IPC to styrene, the binding affinity of the substrate, and the reaction barriers of rate-limiting steps. It is the enzymatic environment that makes the reaction highly stereoselective, which provides useful clues for designing whole-cell catalysts for non-natural chemical reactions

Mechanism of Sulfoxidation and C–S Bond Formation Involved in the Biosynthesis of Ergothioneine Catalyzed by Ergothioneine Synthase (EgtB)

Ergothioneine synthase (EgtB) is a unique non-heme mononuclear iron enzyme that catalyzes the sulfoxidation and C–S bond formation between γ-glutamyl cysteine (γGC) and <i>N</i>-α-trimethyl histidine (TMH) as a pivotal step in the ergothioneine biosynthesis. A controversy has arisen regarding the sequence of sulfoxidation and C–S bond formation in the catalytic cycle. To clarify this issue, the QM/MM approach has been employed to investigate the detailed mechanism of EgtB. Two binding modes of O₂ to Fe­(II) (“end-on” and “side-on”) have been identified. Within the present computational model, the end-on binding mode of O₂ is preferred. The open-shell singlet is calculated to be the ground state, whereas the quintet is the most active state. Moreover, the sulfoxidation is prior to the formation of the C–S bond, and the reaction mainly occurs on the quintet state surface. Due to the electron transfer from the γGC to the ferric superoxide, the sulfur atom of γGC has partial radical characteristics, which facilitates the attack of the distal oxygen atom on the sulfur radical of γGC to form the sulfoxide. The formation of TMH C2 anion, i.e., the abstraction of the proton from the imidazole group in TMH by the Fe­(IV)–oxo species, is the prerequisite for C–S bond formation, which is the rate-limiting step with an energy barrier of 21.7 kcal/mol. In addition, it is also found that although the resulting iron­(III)–oxo can easily abstract a proton from Tyr377 to generate a phenolic hydroxyl anion, the subsequent proton transfer from C2 to Tyr377 is calculated to be difficult; thus, Tyr377 is not directly involved in the sulfoxidation and C–S bond formation. Our calculations also reveal that the side-on mode is not the catalytically relevant species. This work provides a direct comparison with previous experimental and theoretical studies, which is helpful for understanding the catalysis of ergothioneine synthase and related enzymes

Discovery of Y‑Shaped Supramolecular Polymers in a Self-Assembling Peptide Amphiphile System

Supramolecular polymers (SPs) formed by self-assembly of peptide-based molecular units assume a variety of interesting one-dimensional (1D) morphologies. While the morphological complexity and phase behavior of self-assembling peptide conjugates bear some resemblance to those of low-molecular-weight and macromolecular surfactants, Y-junctions, or three-way connected constructs, a topological defect observed in traditional surfactants has not been identified, likely due to the intolerance of defective packing by the strong, associative interactions afforded by the peptide segments. Here we report our discovery of branched SPs with Y-junctions and occasionally enlarged spherical end-caps formed by micellization of a ferrocene-based peptide amphiphile in water. Our results suggest that the incorporation of two ferrocenes into the amphiphile design is key to ensure the formation of branched SPs. We hypothesize that the complex interplay of internal interactions limits the effective propagation of hydrogen bonding within the assemblies and, consequently, creates fragmented β-sheets that are more tolerant for supramolecular branching. Given the redox sensitivity of the ferrocene units, sequential addition of reductants and oxidants to the solution led the assemblies to reversibly transform between branched SPs and spherical aggregates

The expression level of <i>GPR41</i> (left) and <i>GPR43</i> (right) in liver, spleen, ileum, colon and adipose tissue at different development stages (0, 25, 35, 70, 115, 160 day) of pig (n = 3).

<p>The vertical axis of the figure was presented as the target genes copies (<i>GPR41</i> and <i>GPR43</i>) per 1 microgram total RNA. Data was presented as mean ± SEM. Comparisons were made between different developmental stages in each tissue (* <i>P</i><0.05; ** <i>P</i><0.01).</p

DataSheet_1_PD-L1 is associated with the prognosis of penile cancer: A systematic review and meta-analysis.pdf

BackgroundPrevious studies have explored the role of PD-L1 in the survival outcomes of penile cancer patients with controversies existed. Thus, the meta-analysis was conducted to report and review the association between PD-L1 and survival in penile cancer patients.MethodsPubMed, Cochrane Library, EMBASE, and Web of Science were all searched, screened, and reviewed by June 1, 2022. Hazard ratio (HR) was used to evaluate the relationship between PD-L1 and survival outcome, and odds ratio (OR) was for tumor features.ResultsNine retrospective studies (1,003 patients) were incorporated. The prevalence of PD-L1 in patients with penile cancer was 51.4% (95% CI = 42.1%-60.8%, I2 = 88.5%). Higher PD-L1 on tumor cells was related to shorter cancer-specific survival (CSS) in patients (HR = 1.578, 95% CI = 1.227-2.029, I2 = 23.3%), but had no associations with overall survival (OS) (HR = 1.123, 95% CI = 0.511-2.465, I2 = 0.0%). Subgroup analysis indicated that higher PD-L1 was related to shorter CSS in Caucasus (HR = 1.827, 95% CI = 1.355-2.465, I2 = 0.0%) only. Furthermore, PD-L1 had associations with tumor stage (pT1 vs. pT2-4, OR = 0.480, 95% CI = 0.346-0.667, P = 0.001) and tumor grade (Well and moderate vs. Poor, OR = 0.377, 95% CI = 0.264-0.538, P ConclusionsPD-L1 over-expression was related to worse survival outcomes and several clinicopathological features of penile cancer. PD-L1 expression can be applied to select appropriate treatment strategies for penile malignancies.Systematic review registrationhttps://www.crd.york.ac.uk/prospero/display_record.php?RecordID=343041, identifier CRD42022343041.</p

Analysis of <i>GPR41</i> and <i>GPR43</i> in porcine different tissues by western blot using <i>GPR41</i> and 43 antibodies.

<p><i>β-actin</i> was used as the loading control. M: marker; L: liver; S: spleen; I: ileum; C: colon; H: heart; K: kidney; AT: adipose tissue; SM: skeletal muscle.</p

Data_Sheet_1_Micronutrients and risks of three main urologic cancers: A mendelian randomization study.PDF

BackgroundThe effect of micronutrients on urologic cancers has been explored in observational studies. We conducted the two-sample mendelian randomization (TSMR) study to investigate whether micronutrients could causally influence the risk of urologic cancers.MethodsSummary statistics for four micronutrients and three main urologic cancers outcomes were obtained from genome-wide association studies (GWAS). MR analyses were applied to explore the potential causal association between them. Sensitivity analyses using multiple methods were also conducted.ResultsGenetically predicted one SD increase in serum copper and iron concentrations was causally associated with increased risks of renal cell carcinoma (RCC) (OR = 3.021, 95%CI = 2.204–4.687, P ConclusionsMicronutrients play a vital role in the development of urological tumors. Future studies are required to replicate the findings, explore the underlying mechanisms, and examine the preventive or therapeutic role of micronutrients in clinical settings.</p