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AI powered, automated discovery of polymer membranes for carbon capture

npj Computational Materials 2023年第1期9卷 966-976页

作者： Ronaldo Giro Hsianghan Hsu Akihiro Kishimoto toshiyuki hama Rodrigo F.Neumann Binquan Luan Seiji Takeda Lisa hamada Mathias B.Steiner IBM Research Av.República do Chile330CEP 20031-170 Rio de JaneiroRJBrazil IBM Research 7-7Shin-KawasakiSaiwai-KuKawasakiKanagawa 212-0032Japan IBM Research 1101 Kitchawan Road PO Box 218Yorktown HeightsNY 10598-0218USA

The generation of molecules with artificial intelligence(AI)or,more specifically,machine learning(ML),is poised to revolutionize materials *** applications range from development of potent drugs to efficient carbon capture and separation ***,existing computational discovery frameworks for polymer membranes lack automated training data creation,generative design,and physical performance validation at meso-scale where complex properties of amorphous materials *** methodological gaps are less relevant to the ML design of individual molecules such as the monomers which constitute the building blocks of ***,we report automated discovery of complex materials through inverse molecular design which is informed by meso-scale target features and process *** have explored the multi-scale discovery regime by computationally generating and validating hundreds of polymer candidates designed for application in post-combustion carbon dioxide ***,we have validated each discovery step,from training dataset creation,via graph-based generative design of optimized monomer units,to molecular dynamics simulation of gas permeation through the polymer *** the latter,we have devised a representative elementary volume(REV)enabling permeability simulations at about 1000×the volume of an individual,ML-generated monomer,obtaining quantitative *** discovery-to-validation time per polymer candidate is on the order of 100 h using one CPU and one GPU,offering a computational screening alternative prior to lab validation.

关键词： monomer latter elementary

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Advancements in adsorption and photodegradation technologies for Rhodamine B dye wastewater treatment: fundamentals, applications, and future directions

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Green Chemical Engineering 2024年第4期5卷 440-460页

作者： Peter Olusakin Oladoye Mohammed Kadhom Idrees Khan Kosar Hikmat hama Aziz Yakubu Adekunle Alli Department of Chemistry and Biochemistry Florida International University Analytical/Environmental Chemistry Unit Department of Pure and Applied ChemistryLadoke Akintola University of Technology Department of Environmental Science College of Energy and Environmental ScienceAlkarkh University of Science School of Chemistry and Chemical Engineering Northwestern Polytechnical University Department of Chemistry College of ScienceUniversity of Sulaimani Department of Medical Laboratory of Science College of Health SciencesUniversity of Human Development CNRS LCC (Laboratoire de Chimie de Coordination)UPR8241Université de Toulouse

Organic dye pollutants present in wastewater pose a significant global challenge. Among pollutants, the synthetic dye Rhodamine B(RB) stands out due to its non-biodegradable nature and associated neurotoxic, carcinogenic,and respiratory irritant properties. Extensive research has been conducted on the efficacy of adsorption and photodegradation techniques for the removal of RB from wastewater. While adsorption and advanced oxidation processes(AOPs) have gained considerable attention for their effectiveness in recent years, the underlying behaviors and mechanisms of these technologies remain incompletely understood. Therefore, a comprehensive of recent research progress in this domain is imperative to clarify the basics and present the up-to-date *** review provides an in-depth exploration of the fundamentals, advancements, and future trajectories of RB wastewater treatment technologies, mainly encompassing adsorption and photodegradation. This work starts with a general introduction of outlining the sources, toxicity, and diverse applicable removal strategies. Subsequently, it thoroughly examines crucial techniques within non-photochemical, photochemical, and adsorption technologies, such as UV light assisted AOP, catalyst assisted AOP, ozonation, Fenton system, electrochemical AOP, and adsorption technology. The primary objective is to furnish a broad overview of these techniques,elucidating their effectiveness, limitations, and applicability. Following this, the review encapsulates state-of-theart computational simulations pertaining to RB adsorption and interactions with clays and other ***, it delves into column adsorption of RB dye, and elucidates various influencing factors, including bed height, feed concentration, pollutant(RB) feeding or flow rate, and column regeneration. This panoramic review aims to provide valuable insights into suitable techniques, research gaps, and the applicability of nonphotochemical, photochemical, and

关键词： Rhodamine B Wastewater treatment Photodegradation Column adsorption Dye removal Advanced oxidation processes

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Significance of oxidative stress and antioxidant capacity tests as biomarkers of premature ovarian insufficiency: A case control study

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World Journal of Clinical Cases 2024年第3期12卷 479-487页

作者： Kaoru Kakinuma toshiyuki Kakinuma Department of Obstetrics and Gynecology International University of Health and Welfare HospitalTochigi 329-2763Japan Graduate School of Medicine International University of Health and WelfareTokyo 107-8402Japan

BACKGROUND Premature ovarian insufficiency(POI)is a condition that causes secondary amenorrhea owing to ovarian hypofunction at an early *** follicular depletion results in intractable infertility,thereby considerably reducing the quality of life of *** the continuum in weakened ovarian function,progressing from incipient ovarian failure(IOF)to transitional ovarian failure and further to POI,it is necessary to develop biomarkers for predicting *** oxidative stress states in IOF and POI were comprehensively evaluated via oxidative stress[diacron-reactive oxygen metabolites(d-ROMs)]test and anti-oxidant capacity[biological antioxidant potential(BAP)].METHODS Females presenting with secondary amenorrhea over 4 mo and a follicle stimulating hormone level of>40 mIU/mL were categorized into the POI *** presenting with a normal menstrual cycle and a follicle stimulating hormone level of>10.2 mIU/mL were categorized into the IOF *** females without ovarian hypofunction were categorized into the control *** females aged<40 years who visited our hospital from January 2021 to June 2022,we recruited 11 patients into both POI and IOF *** the potential antioxidant capacity,the relative oxidative stress index(BAP/d-ROMs×100)was calculated,and the oxidative stress defense system was comprehensively *** d-ROMs were significantly higher in the POI and IOF groups than in the control group,(478.2±58.7 ***,434.5±60.6 ***,and 341.1±35.1 ***,respectively)(*** is equivalent to 0.08 mg/dL of hydrogen peroxide).However,no significant difference was found between the POI and IOF *** BAP,no significant difference was found between the control,IOF,and POI groups(2078.5±157.4μmol/L,2116.2±240.2μmol/L,and 2029.0±186.4μmol/L,respectively).The oxidative stress index was significantly higher in the POI and IOF groups than in the control group(23.7±3.3,20.7±3.6,and 16.5±2.1,respectively).However,no signifi

关键词： Premature ovarian insufficiency Oxidative stress Diacron-reactive oxygen metabolites test Biological antioxidant potential Infertility Biomarker

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Prognosis value of heat-shock proteins in esophageal and esophagogastric cancer:A systematic review and meta-analysis

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World Journal of Gastrointestinal Oncology 2024年第4期16卷 1578-1595页

作者： Eric toshiyuki Nakamura Amanda Park Marina Alessandra Pereira Daniel Kikawa Francisco Tustumi Department of Gastroenterology Instituto do CâncerHospital das Clínicas da Universidade de São PauloFaculdade de MedicinaUniversidade de São PauloSão Paulo 01246000Brazil Department of Scientific Initiation Universidade Mogi das CruzesSão Paulo 08780911Brazil Department of Evidence-Based Medicine Centro Universitário LusíadaCentre for Evidence-Based MedicineCentro Universitário Lusíada(UNILUS)SantosBrazil Department of Surgery Hospital Israelita Albert EinsteinSão Paulo 05652900Brazil

BACKGROUND Heat shock proteins(HSPs)are molecular chaperones that play an important role in cellular protection against stress events and have been reported to be overex-pressed in many *** prognostic significance of HSPs and their regulatory factors,such as heat shock factor 1(HSF1)and CHIP,are poorly *** To investigate the relationship between HSP expression and prognosis in esophageal and esophagogastric *** A systematic review was conducted in accordance with PRISMA recommend-ations(PROSPERO:CRD42022370653),on Embase,PubMed,Cochrane,and ***,case-control,and cross-sectional studies of patients with eso-phagus or esophagogastric cancer were ***-positive patients were compared with HSP-negative,and the endpoints analyzed were lymph node metastasis,tumor depth,distant metastasis,and overall survival(OS).HSPs were stratified according to the HSP family,and the summary risk difference(RD)was calculated using a random-effect *** The final selection comprised 27 studies,including esophageal squamous cell carcinoma(21),esophagogastric adenocarcinoma(5),and mixed neoplasms(1).The pooled sample size was 3465 ***40 and 60 were associated with a higher 3-year OS[HSP40:RD=0.22;95%confidence interval(CI):0.09-0.35;HSP60:RD=0.33;95%CI:0.17-0.50],while HSF1 was associated with a poor 3-year OS(RD=-0.22;95%CI:-0.32 to-0.12).The other HSP families were not associated with long-term ***1 was associated with a higher probability of lymph node metastasis(RD=-0.16;95%CI:-0.29 to-0.04).HSP40 was associated with a lower probability of lymph node dissemination(RD=0.18;95%CI:0.03-0.33).The expression of other HSP families was not significantly related to tumor depth and lymph node or distant *** The expression levels of certain families of HSP,such as HSP40 and 60 and HSF1,are associated with long-term survival and lymph node dissemination in patients with esophageal and esophagogastric cancer.

关键词： Heat-shock proteins Heat-shock response Prognosis Esophageal neoplasms Meta-analysis

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Abnormal uterine bleeding successfully treated via ultrasoundguided microwave ablation of uterine myoma lesions: Three case reports

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World Journal of Clinical Cases 2024年第5期12卷 980-987页

作者： toshiyuki Kakinuma Kaoru Kakinuma Rora Okamoto Kaoru Yanagida Michitaka Ohwada NobuhiroTakeshima Takeshima Department of Obstetrics and GynecologyInternational University of Health and Welfare HospitalTochigi 329-2763Japan

BACKGROUND Microwave endometrial ablation(MEA)is a minimally invasive treatment method for heavy menstrual ***,additional treatment is often required after recurrence of uterine myomas treated with ***,because this treatment ablates the endometrium,it is not indicated for patients planning to become *** overcome these issues,we devised a method for ultrasound-guided microwave ablation of uterine myoma feeder *** report three patients successfully treated for heavy menstrual bleeding,secondary to uterine myoma,using our novel *** SUMMARY All patients had a favorable postoperative course,were discharged within 4 h,and experienced no ***,no postoperative recurrence of heavy menstrual bleeding was *** method also reduced the myoma’s maximum *** This method does not ablate the endometrium,suggesting its potential appli-cation in patients planning to become pregnant.

关键词： Uterine myoma Microwave Heavy menstrual bleeding Dysmenorrhea Fertility preservation Case report

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Elucidating microbial iron corrosion mechanisms with a hydrogenase-deficient strain of Desulfovibrio vulgaris

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mLife 2024年第2期3卷 269-276页

作者： Di Wang toshiyuki Ueki Peiyu Ma Dake Xu Derek R.Lovley Electrobiomaterials Institute Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education)Northeastern UniversityShenyangChina Shenyang National Laboratory for Materials Science Northeastern UniversityShenyangChina Department of Microbiology University of MassachusettsAmherstMAUSA

Sulfate-reducing microorganisms extensively contribute to the corrosion of ferrous metal *** is substantial debate over their corrosion *** investigated Fe^(0) corrosion with Desulfovibrio vulgaris,the sulfate reducer most often employed in corrosion *** were grown with both lactate and Fe^(0) as potential electron donors to replicate the common environmental condition in which organic substrates help fuel the growth of corrosive ***^(0) was corroded in cultures of a *** hydrogenase-deficient mutant with the 1:1 correspondence between Fe^(0) loss and H_(2) accumulation expected for Fe^(0) oxidation coupled to H+reduction to H_(2).This result and the extent of sulfate reduction indicated that *** was not capable of direct Fe^(0)-to-microbe electron transfer even though it was provided with a supplementary energy source in the presence of abundant ferrous *** in the hydrogenase-deficient mutant cultures was greater than in sterile controls,demonstrating that H_(2) removal was not necessary for the enhanced corrosion observed in the presence of *** parental H_(2)-consuming strain corroded more Fe^(0) than the mutant strain,which could be attributed to H_(2) oxidation coupled to sulfate reduction,producing sulfide that further stimulated Fe^(0) *** results suggest that H_(2) consumption is not necessary for microbially enhanced corrosion,but H_(2) oxidation can indirectly promote corrosion by increasing sulfide generation from sulfate *** finding that *** was incapable of direct electron uptake from Fe^(0) reaffirms that direct metal-to-microbe electron transfer has yet to be rigorously described in sulfate-reducing microbes.

关键词： electrobiocorrosion electron transfer hydrogen transfer microbial corrosion sulfate-reducing microbes

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Nutritional Characterization of Traditional Foods Based on Millet, Sorghum and Cowpea from the North-Central Region of Burkina Faso

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Food and Nutrition Sciences 2024年第8期15卷 681-694页

作者： Rasmata Dabo Fatoumata hama-Ba Serge Samandoulgou Aly Savadogo Food Technology Department Institute for Research in Applied Sciences and Technologies National Center for Scientific and Technological Research Ouagadougou Burkina Faso Laboratory of Biochemistry and Applied Immunology Training and Research Unit in Life and Earth Sciences Joseph Ki-Zerbo University Ouagadougou Burkina Faso

The food and nutrition situation in Burkina Faso, like most developing countries in sub-Saharan Africa, is marked by growing food vulnerability. The majority of local dishes are being abandoned in favor of a minority of imported cereal dishes and other ultra-processed foods. This minority of cereal foods is blamed for stunted growth in children, while ultra-processed foods are linked to chronic diseases such as hypertension, certain types of diabetes and cancer. Knowledge of the nutritional value of local foods is needed to determine their nutritional quality. The aim of this study was to determine the nutritional values of local dishes based on millet, sorghum and cowpea in the Centre-North region. The methodology consisted of making an inventory of millet-, sorghum- and cowpea-based dishes using focus groups made up of women and men from three age groups comprising young people, adults and the elderly in the communes of Lebda and Boussouma. The dishes were reproduced, and standard biochemical methods were used for nutritional characterization. A total of 34 dishes were inventoried, including 16 millet/sorghum-based dishes, 8 cowpea-based dishes and 10 dishes composed of millet/sorghum and cowpea or leaves. The mean protein, carbohydrate, ash and iron contents per 100 g DM of the three types of dishes were significantly different (p ≤ 0.05), ranging respectively from 13.61 to 22.63 g, 70.76 to 80.88 g, 1.87 to 5.96 g and 7.67 to 12.06 mg. Those for lipid, energy and zinc were not significantly different, ranging from 5.51 to 6.56 g, from 427 to 433 Kcal and from 2.98 to 3.32 mg respectively. Cowpea-based and mixed dishes cover the nutritional requirements for protein, carbohydrates, iron, zinc and energy recommended for children and adults. The consumption of mixed dishes and cowpea-based dishes could be promoted by nutritional policy to reduce stunting and recommended to obese, hypertensive and diabetic people as part of their diet.

关键词： Cereals Legumes Food Nutritional Burkina Faso

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Exogenous application of bio-stimulants and growth retardants improve nutrient absorption and fiber quality in upland cotton

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Journal of Cotton Research 2024年第2期7卷 137-147页

作者： Al-Khayri Jameel M. Arif Muhammad Kareem Shadia hama Salih Anwar Adeel Dehghanisanij Hossein Emami Somayeh Yasmeen Azra Aftab Komal Negm Mohamed Department of Agricultural Biotechnology College of Agriculture and Food SciencesKing Faisal University31982 Al‑AhsaSaudi Arabia Water Resources Zone Irrigation Department PunjabD.G.KhanPakistan Department of Biotechnology and Crop Science College of Agricultural Engineering SciencesUniversity of SulaimaniSulaimaniIraq Department of Agronomy PMAS-Arid Agriculture UniversityRawalpindiPakistan Agricultural Research Education and Extension OrganizationAgricultural Engineering Research InstituteKarajAlborzIran Department of Water Engineering University of TabrizTabrizIran Department of Agronomy Bahauddin Zakariya UniversityMultanPakistan Department of Plant Breeding and Genetics Bahauddin Zakariya UniversityMultanPakistan Agricultural Research Center Cotton Research InstituteGiza 12619Egypt

Background Natural and synthetic plant growth regulators are essential for plant health,likewise these regulators also play a role in increasing organic production productivity and improving quality and yield *** the present study,we have evaluated the effects of foliar applied plant growth regulators,i.e.,moringa leaf extract(MLE)and mepiquat chloride(MC)alone and in combination MC and MLE on the conventional cotton cultivar(CIM 573)and transgenic one(CIM 598).The growth regulators were applied at the start of bloom,45 and 90 days after *** The application of MC and MLE at 90 days after blooming significantly improved the relative growth rate,net assimilation rate,the number of bolls per plant,and seed cotton ***,the combined application of MLE and MC at 90 days after blooming significantly boosted the nitrogen uptake in locules,as well as the phosphorus and potassium uptake in the leaves of both cotton *** application of MLE alone has considerably improved the nitrogen uptake in leaves,and phosphorus and potassium contents in locules of Bt and conventional cotton ***,Bt cotton treated with MLE at 90 days after blooming produced significantly higher ginning out turn and oil *** in combination(MLE+MC)at 90 days after blooming produced considerably higher micronaire value,fiber strength,and staple length in conventional *** The natural growth enhancer,MLE is a rich source of minerals and zeatin,improving the nutrient absorption and quality of cotton fiber in both conventional and Bt cotton cultivars.

关键词： Bio-stimulant Cotton Fiber quality Mepiquat chloride Moringa leaf extract Potassium accumulation Oil contents

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Optimization of Diesel and Crude Oil Degradation in a Ghanaian Soil Using Organic Wastes as Amendment

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Journal of Agricultural Chemistry and Environment 2024年第1期13卷 1-12页

作者： Adama Sawadogo Innocent Yao Dotse Lawson hama Cissé Cheikna Zongo Aly Savadogo Laboratory of Applied Biochemistry and Immunology Research and Training Unit Life and Earth Sciences Joseph Ki-Zerbo University Ouagadougou Burkina Faso Soil Science Department School of Agriculture University of Ghana Accra Ghana

Soil contamination by hydrocarbons poses numerous environmental, health and agricultural problems. The degradation of these pollutants can occur naturally but very slowly. It is therefore generally necessary to stimulate this degradation by different means. Thus, this study aimed to improve the bio-degradation of diesel and crude oil in a Ghanaian soil by biostimulation. For this, the sampled soil was characterized by standard methods and contaminated with diesel and crude oil at a proportion of 1% (w/w). Then, contaminated soil samples were supplemented with biochar-compost, poultry manure or cow dung at the proportion of 10% (w/w). Periodically, fractions of these samples were taken to evaluate the density of hydrocarbon utilizing bacteria (HUB) and the residual quantities of diesel or crude oil. The characteristics of the soil used show the need for supplementation for better degradation of hydrocarbons. The results of the study show that supplementing the soil with organic substrates increases HUB loads in soils contaminated by diesel and crude oil. They also show that the residual quantities of diesel and crude oil are generally significantly lower in supplemented soils (p = 0.048 and p < 0.0001 respectively). In addition, the study shows that degradation was generally greater in soils contaminated by diesel compared to those contaminated by crude oil, especially at the end of the study.

关键词： Biodegradation Biostimulation Soil Diesel Crude Oil Organic Amendment Ghana

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Targeting miRNA by CRISPR/Cas in cancer:advantages and challenges

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Military Medical Research 2024年第3期11卷 345-373页

作者： Bashdar Mahmud Hussen Mohammed Fatih Rasul Snur Rasool Abdullah Hazha Jamal Hidayat Goran Sedeeq hama Faraj Fattma Abodi Ali Abbas Salihi Aria Baniahmad Soudeh Ghafouri-Fard Milladur Rahman Mark C.Glassy Wojciech Branicki Mohammad Taheri Department of Biomedical Sciences Cihan University-ErbilErbilKurdistan Region 44001Iraq Department of Clinical Analysis College of PharmacyHawler Medical UniversityErbilKurdistan Region 44001Iraq Department of Pharmaceutical Basic Science Faculty of PharmacyTishk International UniversityErbilKurdistan Region 44001Iraq Medical Laboratory Science Lebanese French UniversityErbilKurdistan Region 44001Iraq Department of Biology College of EducationSalahaddin University-ErbilErbilKurdistan Region 44001Iraq Department of Medical Laboratory Science Komar University of Science and TechnologySulaymaniyah 46001Iraq Department of Medical Microbiology College of Health SciencesHawler Medical UniversityErbilKurdistan Region 44001Iraq Department of Biology College of ScienceSalahaddin University-ErbilErbilKurdistan Region 44001Iraq Center of Research and Strategic Studies Lebanese French UniversityErbil 44001Iraq Institute of Human Genetics Jena University Hospital07747 JenaGermany Department of Medical Genetics School of MedicineShahid Beheshti University of Medical SciencesTehran 374-37515Iran Department of Clinical Sciences MalmöSection for SurgeryLund University22100 MalmöSweden Translational Neuro-Oncology Laboratory San Diego(UCSD)Moores Cancer CenterUniversity of CaliforniaSan DiegoCA 94720USA Faculty of Biology Institute of Zoology and Biomedical ResearchJagiellonian University31-007 KrakówPoland Urology and Nephrology Research Center Shahid Beheshti University of Medical SciencesTehran 374-37515Iran

Clustered regulatory interspaced short palindromic repeats(CRISPR)has changed biomedical research and provided entirely new models to analyze every aspect of biomedical sciences during the last *** the study of cancer,the CRISPR/CRISPR-associated protein(Cas)system opens new avenues into issues that were once unknown in our knowledge of the non-coding genome,tumor heterogeneity,and precision ***/Cas-based geneediting technology now allows for the precise and permanent targeting of mutations and provides an opportunity to target small non-coding RNAs such as microRNAs(miRNAs).However,the development of effective and safe cancer gene editing therapy is highly dependent on proper design to be innocuous to normal cells and prevent introducing other *** study aims to highlight the cutting-edge approaches in cancer-gene editing therapy based on the CRISPR/Cas technology to target miRNAs in cancer ***,we highlight the potential challenges in CRISPR/Cas-mediated miRNA gene editing and offer advanced strategies to overcome them.

关键词： CRISPR CRISPR/Cas9 CRISPR/Cas12 Gene editing miRNAs Cancer therapy

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