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Bioresource technology 2020年 300卷 122705页

作者： Zhuowei Cheng Ke Feng Yousheng Su Jiexu Ye Dongzhi Chen Shihan Zhang Xiaomin Zhang Dionysios D Dionysiou College of Environment Zhejiang University of Technology Hangzhou 310009 China. College of Environment Zhejiang University of Technology Hangzhou 310009 China. Electronic address: cdz@***. Environmental Engineering and Science Program Department of Chemical and Environmental Engineering (ChEE) University of Cincinnati Cincinnati OH 45221-0012 USA.

Adsorption is an efficient and low-cost technology used to purify volatile organic compounds (VOCs). In the current study, novel microbial adsorbents were synthesized using cells of lyophilized fungi (Ophiostoma stenoceras LLC) or bacteria (Pseudomonas veronii ZW) that were modified by aminomethylation. Based on the adsorption performance and structural characterization results, the modified fungal biosorbent was the best. Its maximum adsorption capacities for ethyl acetate, α-pinene, and n-hexane were 620, 454, and 374 mg·g, respectively, which were much higher than those of other synthesized biosorbents. The specific surface area of the fungal biosorbent was 20 m·g, and most of the components were hydrocarbon compounds and polysaccharides. The VOC adsorption process on these synthesized biosorbents was in accordance with the Langmuir isothermal model and the pseudo-first-order kinetic model, thereby suggesting that physical adsorption was the dominant mechanism. The fungal biosorbent could be used for five consecutive VOC sorption-desorption cycles without any obvious decrease in adsorption capacity.

关键词： Adsorption kinetics Aminomethylation modification Fungal Microbial biosorbents VOC adsorption

Delayed Linker Addition (DLA) Synthesis for Hybrid SOD ZIFs with Unsubstituted Imidazolate Linkers for Propylene/Propane and n-Butane/i-Butane Separations

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Angewandte Chemie 2021年第18期133卷

作者： Dr. Febrian Hillman Dr. Mohamad Rezi Abdul Hamid Dr. Panagiotis Krokidas Dr. Salvador Moncho Prof. Dr. Edward N. Brothers Prof. Dr. Ioannis G. Economou Prof. Dr. Hae-Kwon Jeong Artie McFerrin Department of Chemical Engineering Texas A&M University 3122 TAMU College Station TX 77843-3122 USA Department of Chemical and Environmental Engineering Universiti Putra Malaysia Serdang Selangor 43400 Malaysia National Center for Scientific Research “Demokritos” Institute of Nanoscience and Nanotechnology Molecular Thermodynamics and Modelling of Materials Laboratory 15310 Aghia Paraskevi Attikis Greece Science Program Texas A&M University at Qatar P.O. Box 23874 Education City Doha Qatar Chemical Engineering Program Texas A&M University at Qatar P.O. Box 23874 Education City Doha Qatar Department of Materials Science and Engineering Texas A&M University 3122 TAMU College Station TX 77843-3122 USA

We present a novel synthesis strategy termed delayed linker addition (DLA) to synthesize hybrid zeolitic-imidazolate frameworks containing unsubstituted imidazolate linkers (Im) with SOD topology (hereafter termed Im/ZIF-8). Im linker incorporation can create larger voids and apertures, which are important properties for gas storage and separation. To date, there have been only a handful of reports of Im linkers incorporated into ZIF-8 frameworks, typically requiring arduous and complicated post synthesis approaches. DLA, as reported here, is a simple one-step synthesis strategy allowing high incorporation of Im linker into the ZIF-8 framework while still retaining its SOD topology. We fabricated mixed-matrix membranes (MMMs) with 6FDA-DAM polymer and Im/ZIF-8 obtained via DLA as a filler. The Im/ZIF-8-containing MMMs showed excellent performance for both propylene/propane and n-butane/i-butane separation, displaying permeability and ideal selectivity well above the polymer upper bound. Moreover, highly detailed molecular simulations shed light to the aperture size and flexibility response of Im/ZIF-8 and its improved diffusivity as compared to ZIF-8.

关键词： gas separations hybrid metal–organic frameworks hybrid zeolitic–imidazolate frameworks linker doping

Fungal diversity notes 1512–1610: taxonomic and phylogenetic contributions on genera and species of fungal taxa

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Fungal Diversity 2022年第6期117卷 1-272页

作者： Ruvishika S.Jayawardena Kevin D.Hyde Song Wang Ya‑Ru Sun Nakarin Suwannarach Phongeun Sysouphanthong Mohamed A.Abdel‑Wahab Faten A.Abdel‑Aziz Pranami D.Abeywickrama Vanessa P.Abreu Alireza Armand AndréAptroot Dan‑Feng Bao Dominik Begerow Jean‑Michel Bellanger Jadson D.P.Bezerra Digvijayini Bundhun Mark S.Calabon Ting Cao Taimy Cantillo João LVRCarvalho Napalai Chaiwan Che‑Chih Chen Régis Courtecuisse Bao‑Kai Cui Ulrike Damm Cvetomir M.Denchev Teodor T.Denchev Chun Y.Deng Bandarupalli Devadatha Nimali Ide Silva Lidiane Ados Santos Nawal K.Dubey Sylvain Dumez Himashi SFerdinandez André L.Firmino Yusufon Gaforov Achala J.Gajanayake Deecksha Gomdola Sugantha Gunaseelan Shucheng‑He Zin H.Htet Malarvizhi Kaliyaperumal Martin Kemler Kezhocuyi Kezo Nuwan DKularathnage Marco Leonardi Ji‑Peng Li Chunfang Liao Shun Liu Michael Loizides Thatsanee Luangharn Jian Ma Hugo Madrid S.Mahadevakumar Sajeewa S.N.Maharachchikumbura Dimuthu S.Manamgoda María P.Martín Niranjan Mekala Pierre‑Arthur Moreau Yan‑Hong Mu Pasouvang Pahoua Dhandevi Pem Olinto L.Pereira Wiphawanee Phonrob Chayanard Phukhamsakda Mubashar Raza Guang‑Cong Ren Andrea C.Rinaldi Walter Rossi Binu C.Samarakoon Milan CSamarakoon Vemuri V.Sarma Indunil C.Senanayake Archana Singh Maria F.Souza Cristina M.Souza‑Motta Adriano A.Spielmann Wenxin Su Xia Tang XingGuo Tian Kasun M.Thambugala Naritsada Thongklang Danushka S.Tennakoon Nopparat Wannathes DingPeng Wei Stéphane Welti Subodini N.Wijesinghe Hongde Yang Yunhui Yang Hai‑Sheng Yuan Huang Zhang Jingyi Zhang Abhaya Balasuriya Chitrabhanu SBhunjun Timur S.Bulgakov Lei Cai Erio Camporesi Putarak Chomnunti Y.S.Deepika Mingkwan Doilom Wei‑Jun Duan Shi‑Ling Han Naruemon Huanraluek EBGareth Jones NLakshmidevi Yu Li Saisamorn Lumyong Zong‑Long Luo Surapong Khuna Jaturong Kumla Ishara S.Manawasinghe Ausana Mapook Wilawan Punyaboon Saowaluck Tibpromma Yong‑Zhong Lu JiYe Yan Yong Wang Center of Excellence in Fungal Research Mae Fah Luang UniversityChiang Rai 57100Thailand School of Science Mae Fah Luang UniversityChiang Rai 57100Thailand Innovative Institute for Plant Health Zhongkai University of Agriculture and EngineeringGuangzhou 510225P.R.China Department of Plant Pathology College of AgricultureGuizhou UniversityGuiyang 550025GuizhouChina Research Center of Microbial Diversity and Sustainable Utilization Chiang Mai UniversityChiang Mai 50200Thailand Department of Biology Faculty of ScienceChiang Mai UniversityChiang Mai 50200Thailand Biotechnology and Ecology Institute Ministry of Agriculture and ForestryP.O.Box:811Vientiane CapitalLao PDR Department of Botany and Microbiology Faculty of ScienceSohag UniversitySohag 82524Egypt Beijing Key Laboratory of Environment-Friendly Management on Fruit Diseases and Pests in North China Institute of Plant ProtectionBeijing Academy of Agriculture and Forestry SciencesBeijing 100097China Departamento de Fitopatologia Universidade Federal de ViçosaViçosaMinas GeraisBrazil Laboratório de Botânica/Liquenologia Instituto de BiociênciasUniversidade Federal de Mato Grosso do SulAvenida Costa e Silva S/NBairro UniversitárioCampo GrandeMato Grosso do Sul CEP 79070-900Brazil College of Agriculture and Biological Sciences Dali UniversityDali 671003YunnanChina Department of Entomology and Plant Pathology Faculty of AgricultureChiang Mai UniversityChiang Mai 50200Thailand Institute of Plant Science and Microbiology Universität HamburgOrganismic Botany and MycologyOhnhorststr.1822609 HamburgGermany CEFE CNRSUniv.MontpellierEPHEIRDINSERM1919Route de Mende34293 Montpellier Cedex 5France Setor de Micologia Departamento de Biociências e TecnologiaInstituto de Patologia Tropical e Saúde PúblicaUniversidade Federal de GoiásRua 235S/NSetor UniversitárioGoiâniaGO CEP:74605-050Brazil Division of Biological Sciences College of Arts and SciencesUniversity of the Philippines Visayas5023 MiagaoIloiloPhilippines CA

This article is the 14th in the Fungal Diversity Notes series,wherein we report 98 taxa distributed in two phyla,seven classes,26 orders and 50 families which are described and *** in this study were collected from Australia,Brazil,Burkina Faso,Chile,China,Cyprus,Egypt,France,French Guiana,India,Indonesia,Italy,Laos,Mexico,Russia,Sri Lanka,Thailand,and *** are 59 new taxa,39 new hosts and new geographical distributions with one new *** 59 new species comprise Angustimassarina kunmingense,Asterina lopi,Asterina brigadeirensis,Bartalinia bidenticola,Bartalinia caryotae,Buellia pruinocalcarea,Coltricia insularis,Colletotrichum fexuosum,Colletotrichum thasutense,Coniochaeta caraganae,Coniothyrium yuccicola,Dematipyriforma aquatic,Dematipyriforma globispora,Dematipyriforma nilotica,Distoseptispora bambusicola,Fulvifomes jawadhuvensis,Fulvifomes malaiyanurensis,Fulvifomes thiruvannamalaiensis,Fusarium purpurea,Gerronema atrovirens,Gerronema favum,Gerronema keralense,Gerronema kuruvense,Grammothele taiwanensis,Hongkongmyces changchunensis,Hypoxylon inaequale,Kirschsteiniothelia acutisporum,Kirschsteiniothelia crustaceum,Kirschsteiniothelia extensum,Kirschsteiniothelia septemseptatum,Kirschsteiniothelia spatiosum,Lecanora immersocalcarea,Lepiota subthailandica,Lindgomyces guizhouensis,Marthe asmius pallidoaurantiacus,Marasmius tangerinus,Neovaginatispora mangiferae,Pararamichloridium aquisubtropicum,Pestalotiopsis piraubensis,Phacidium chinaum,Phaeoisaria goiasensis,Phaeoseptum thailandicum,Pleurothecium aquisubtropicum,Pseudocercospora vernoniae,Pyrenophora verruculosa,Rhachomyces cruralis,Rhachomyces hyperommae,Rhachomyces magrinii,Rhachomyces platyprosophi,Rhizomarasmius cunninghamietorum,Skeletocutis cangshanensis,Skeletocutis subchrysella,Sporisorium anadelphiae-leptocomae,Tetraploa dashaoensis,Tomentella exiguelata,Tomentella fuscoaraneosa,Tricholomopsis lechatii,Vaginatispora favispora and Wetmoreana *** new combin

关键词： 59 New taxa 39 New records Ascomycota Basidiomycota Dothideomycetes Lecanoromycetes Leotiomycetes Sordariomycetes Ustilaginomycotina

Inconsistencies in the electronic properties of phosphorene nanotubes: New insights from large-scale DFT calculations

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arXiv 2018年

作者： Allec, Sarah I. Wong, Bryan M. Department of Chemical and Environmental Engineering and Materials Science and Engineering Program University of California-Riverside RiversideCA92521 United States

Contrary to recent reports, we show that the electronic properties of phosphorene nanotubes are surprisingly rich and much more complex than previously assumed. We find that all phosphorene nanotubes exhibit an intricate direct-to-indirect bandgap transition as the nanotube diameter decreases a unique property not identified in any prior studies (which claimed either direct or indirect band gaps only) that we uncover with large-scale DFT calculations. We address these previous inconsistencies by detailed analyses of orbital interactions, which reveal that the strain associated with decreasing the nanotube diameter causes a transition from a direct to an indirect band gap for all of the phosphorene nanotubes. We show that our findings are completely general, and extensive calculations across several exchange-correlation functionals verify our conclusions. Most importantly, our results and analyses resolve a long-standing question on the electronic properties of phosphorus nanotubes and brings closure to previously conflicting findings in these unique nanostructures. Copyright © 2018, The Authors. All rights reserved.

关键词： Nanotubes

Author Correction: The high-dimensional space of human diseases built from diagnosis records and mapped to genetic loci

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Nature computational science 2023年第7期3卷 658页

作者： Gengjie Jia Yu Li Xue Zhong Kanix Wang Milton Pividori Rabab Alomairy Aniello Esposito Hatem Ltaief Chikashi Terao Masato Akiyama Koichi Matsuda David E Keyes Hae Kyung Im Takashi Gojobori Yoichiro Kamatani Michiaki Kubo Nancy J Cox James Evans Xin Gao Andrey Rzhetsky Shenzhen Branch Guangdong Laboratory of Lingnan Modern Agriculture Genome Analysis Laboratory of the Ministry of Agriculture and Rural Affairs Agricultural Genomics Institute at Shenzhen Chinese Academy of Agricultural Sciences Shenzhen China. jiagengjie@***. Computational Bioscience Research Center King Abdullah University of Science and Technology Thuwal Saudi Arabia. Computer Science Program Computer Electrical and Mathematical Sciences and Engineering Division King Abdullah University of Science and Technology Thuwal Saudi Arabia. Department of Computer Science and Engineering The Chinese University of Hong Kong Hong Kong People's Republic of China. Department of Medicine and Vanderbilt Genetics Institute Vanderbilt University Medical Center Nashville TN US. Department of Medicine Institute of Genomics and Systems Biology Committee on Genomics Genetics and Systems Biology University of Chicago Chicago IL US. Department of Operations Business Analytics and Information Systems University of Cincinnati Cincinnati OH US. Department of Systems Pharmacology and Translational Therapeutics Perelman School of Medicine University of Pennsylvania Philadelphia PA US. Extreme Computing Research Center Computer Electrical and Mathematical Sciences and Engineering Division King Abdullah University of Science and Technology Thuwal Saudi Arabia. College of Computer Science and Engineering University of Jeddah Jeddah Saudi Arabia. HPE HPC/AI EMEA Research Laboratory Bristol UK. RIKEN Center for Integrative Medical Sciences Yokohama Japan. Clinical Research Center Shizuoka General Hospital Shizuoka Japan. Department of Applied Genetics The School of Pharmaceutical Sciences University of Shizuoka Shizuoka Japan. Department of Ophthalmology Graduate School of Medical Sciences Kyushu University Fukuoka Japan. Department of Computational Biology and Medical Sciences Graduate School of Frontier Sciences The University of Tokyo Tokyo Japan. Biological and Environmenta

Unusual bandgap oscillations in template-directed φ-conjugated Porphyrin Nanotubes

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arXiv 2018年

作者： Sarah, I. Allec Niranjan, V. Ilawe Bryan, M. Wong Department of Chemical and Environmental Engineering and Materials Science Engineering Program University of California-Riverside RiversideCA92521 United States

Using large-scale DFT calculations (up to 1,476 atoms and 18,432 orbitals), we present the first detailed analysis on the unusual electronic properties of recently synthesized porphyrin nanotubes. We surprisingly observe extremely large oscillations in the bandgap of these nanostructures as a function of size, in contradiction to typical quantum confinement effects (i.e., the bandgap increases with size in several of these nanotubes). In particular, we find that these intriguing electronic oscillations arise from a size-dependent alternation of aromatic/non-Aromatic characteristics in these porphyrin nanotubes. Our analyses of band structures and orbital diagrams indicate that the electronic transitions in these nanostructures are direct-bandgap, optically active "bright" states that can be readily observed in photoelectron spectroscopic experiments. Most importantly due to their unusual bandgap oscillations, we find that both type I and type II donor-Acceptor p-n heterojunctions are possible in these template-directed, "bottom-up synthesized" porphyrin nanotubes a unique property that is not present in conventional carbon nanotubes. Copyright © 2018, The Authors. All rights reserved.

关键词： Nanotubes

Accurate electron affinities and orbital energies of anions from a non-empirically tuned range-separated density functional theory approach

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arXiv 2018年

作者： Anderson, Lindsey N. Belen Oviedo, M. Wong, Bryan M. Department of Chemical Environmental Engineering and Materials Science Engineering Program University of California-Riverside RiversideCA92521 United States

The treatment of atomic anions with Kohn-Sham density functional theory (DFT) has long been controversial since the highest occupied molecular orbital (HOMO) energy, EHOMO, is often calculated to be positive with most approximate density functionals. We assess the accuracy of orbital energies and electron affinities for all three rows of elements in the periodic table (H-Ar) using a variety of theoretical approaches and customized basis sets. Among all of the theoretical methods studied here, we find that a non-empirically tuned range-separated approach (constructed to satisfy DFT-Koopmans theorem for the anionic electron system) provides the best accuracy for a variety of basis sets even for small basis sets where most functionals typically fail. Previous approaches to solve this conundrum of positive EHOMO values have utilized non-self-consistent methods;however electronic properties, such as electronic couplings/gradients (which require a self-consistent potential and energy), become ill-defined with these approaches. In contrast, the non-empirically tuned range-separated procedure used here yields well-defined electronic couplings/gradients and correct EHOMO values since both the potential and resulting electronic energy are computed self-consistently. Orbital energies and electron affinities are further analyzed in the context of the electronic energy as a function of electronic number (including fractional numbers of electrons) to provide a stringent assessment of self-interaction errors for these complex anion systems. Copyright © 2018, The Authors. All rights reserved.

关键词： Density functional theory

Halogen bonding interactions: Revised benchmarks and a new assessment of exchange vs. Dispersion

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arXiv 2018年

作者： Anderson, Lindsey N. Aquino, Fredy W. Raeber, Alexandra E. Chen, Xi Wong, Bryan M. Department of Chemical and Environmental Engineering and Materials Science and Engineering Program University of California-Riverside RiversideCA92521 United States

We present a new analysis of exchange and dispersion effects for calculating halogen-bonding interactions in a wide variety of complex dimers (69 total) within the XB18 and XB51 benchmark sets. Contrary to previous work on these systems, we find that dispersion plays a more significant role than exact exchange in accurately calculating halogen-bonding interaction energies, which are further confirmed by extensive SAPT analyses. In particular, we find that even if the amount of exact exchange is non-empirically tuned to satisfy known DFT constraints, we still observe an overall improvement in predicting dissociation energies when dispersion corrections are applied, in stark contrast to previous studies (J. Chem. Theory Comput. 2013, 9, 1918-1931). In addition to these new analyses, we correct several (14) inconsistencies in the XB51 set, which is widely used in the scientific literature for developing and benchmarking various DFT methods. Together, these new analyses and revised benchmarks emphasize the importance of dispersion and provide corrected reference values that are essential for developing/parameterizing new DFT functionals specifically for complex halogen-bonding interactions. Copyright © 2018, The Authors. All rights reserved.

关键词： Dispersions

Nano titania reinforced limestone cement: Physico-mechanical investigation

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Nano titania reinforced limestone cement: Physico-mechanical...

International Conference on Materials science and engineering: Recent Advances and Challenges, ICMSE-RAC 2018

作者： Abdelzaher, M.A. Hamouda, Asmaa S. Ismail, Ibrahim M. El-Sheikh, M.N. Environmental Science and Industrial Development Department Faculty of Postgraduate Studies for Advanced Sciences Beni-Suef University Beni-Suef Egypt Renewable Energy Engineering Program University of Science and Technology Zewial City of Science and Technology Giza Egypt Department of Production Technology Faculty of Industrial Education Beni-Suef University Beni-Suef Egypt

ISBN: (纸本)9783035713541

This work studies physical and mechanical properties of limestone cement pastes blended by TiO2 nanoparticles (i.e., particle size less than 100 nm). Three mixtures of 5,10 and 25 wt% of limestone partially replaced cement/clinker by TiO2 nanoparticles. Fillers are carefully selected which reinforcing cement workability or water retention they could be inert or have slightly hydraulic properties. Limestone is most common filler that fills the pores between cement particles due to the formation of monocarboaluminate, while nanoparticles increase the hydration C-S-H gel product and calcium titanium silicate which hardened the cement pastes. Nanoparticles show a great effect in reinforcing the mechanical strength of cement pastes due to the fact that TiO2-nanoparticles act as active nuclei site forming C-S-H gel observed as honeycomb-like plus improving cement to water demined (W/C) ratio. SEM analysis proves that the morphology of cement structure is well arranged and compacted leads to enhance the compressive strength by 20%. © 2018 Trans Tech Publications Ltd, Switzerland.

关键词： Particle size

The effect of heat storage to properties and energy recovery of pyrolysis products from agricultural waste

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IOP Conference Series: Earth and environmental science 2020年第1期463卷

作者： K Chaiwong N Wichan S Kuimalee C Thawonngamyingsakul Bio-Energy Technology and Environmental Unit Faculty of Engineering Rajamangala University of Technology Lanna Nan Nan 55000 Thailand Industrail Chemistry and Textile Technology Program Faculty of Science Maejo University Chiang Mai 50290 Thailand Mechanical Engineering Program Rajamangala University of Technology Lanna Tak Tak 63000 Thailand

The pyrolysis process is the conversion of a biomass into biofuel but the process requires a high amount of external heat in order to increase the temperature of raw material which affects the production costs and energy efficiency. The effect of heat storage to control a temperature on the shell of pyrolysis reactor for the properties and energy recovery of pyrolysis products were considered in this study. Agricultural waste drop tube pyrolysis reactor that was designed into double layer shell wall to contain ceramic bead for heat storage. The parametric test of this study as temperature (350 °C – 550 °C), and biomass type (corncob, coffee grounds and coffee husk) were investigated. This result showed that, the heating rate of the reactor when starting to the setting temperature of the comparison testing (CT) was lower than that of the heat storage testing (HT). It indicated that the energy input for the reactor in case of HT was lower than that from CT. The yield of bio-oil and bio-char of the HT were lower than that of the CT in the same pyrolytic temperature. When increasing temperature for 350 °C to 550 °C effected to decreasing the yield of bio-char while the maximum yield of bio-oil found in the temperature of 450 °C. The heating value of pyrolysis products were increased in the higher temperature. The bio-fuel products from corncob had the higher heating value (HHV) and the energy recovery higher than that from another biomass.

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