Sanket Kadulkar, Z. Sherman, V. Ganesan, Thomas M Truskett
{"title":"Machine Learning-Assisted Design of Material Properties.","authors":"Sanket Kadulkar, Z. Sherman, V. Ganesan, Thomas M Truskett","doi":"10.1146/annurev-chembioeng-092220-024340","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092220-024340","url":null,"abstract":"Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical, inverse methods that frame design as a constrained optimization problem present an attractive alternative. However, even efficient algorithms require time- and resource-intensive characterization of material properties many times during optimization, imposing a design bottleneck. Approaches that incorporate machine learning can help address this limitation and accelerate the discovery of materials with targeted properties. In this article, we review how to leverage machine learning to reduce dimensionality in order to effectively explore design space, accelerate property evaluation, and generate unconventional material structures with optimal properties. We also discuss promising future directions, including integration of machine learning into multiple stages of a design algorithm and interpretation of machine learning models to understand how design parameters relate to material properties. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":"1 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41869204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chimaobi Sunday Vincent, Charles Ogugua Nwuche, Mida Habila Mayel, Sabinus Oscar Onyebuchi Eze
{"title":"Production, Partial Purification, and Characterization of Lipase from <i>Aspergillus niger</i> and Its Application in Treatment of Vegetable Oil Effluent","authors":"Chimaobi Sunday Vincent, Charles Ogugua Nwuche, Mida Habila Mayel, Sabinus Oscar Onyebuchi Eze","doi":"10.11648/j.cbe.20220701.11","DOIUrl":"https://doi.org/10.11648/j.cbe.20220701.11","url":null,"abstract":"","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":"3 2 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83763579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Assessment of Nutrient Contents of Farmers' Used Composts for Crop Production in the North Shewa, South West Shewa, and West Shewa Zones, Oromia","authors":"Dejene Getahun, Abera Donis, Dereje Girma, Ajema Lema","doi":"10.11648/j.cbe.20220701.12","DOIUrl":"https://doi.org/10.11648/j.cbe.20220701.12","url":null,"abstract":"","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":"34 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80445814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Introduction.","authors":"Stephen Doherty","doi":"10.1075/tcb.00054.int","DOIUrl":"https://doi.org/10.1075/tcb.00054.int","url":null,"abstract":"'A second epoch of colonisation' this is how Wole Soyinka characterises Western theoretical practice as it applies itself, even with the best of intentions, to the cultural productions of the non-Western world. And it would be fair to say that post-colonial writing by which we mean writing that is grounded in the cultural realities of those societies whose subjectivity has been constituted at least in part by the subordinating power of European colonialism contains hundreds of such statements: statements which lay bare the material, often devastating, consequences of a centuries-long imposition of Euro-American conceptual patterns onto a world that is at once 'out there' and yet thoroughly assimilable to the psychic grasp of Western cognition. This journal article is available in Kunapipi: https://ro.uow.edu.au/kunapipi/vol11/iss1/3 STEPHEN SLEMON and HELEN TIFFIN","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":"13 1","pages":"i"},"PeriodicalIF":8.4,"publicationDate":"2021-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44135074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Antibiotic Susceptibility Profile of Bacterial Isolates from Commercial Poultry Farms in Ile-Ife, Nigeria","authors":"Fatokun Evelyn Nwadinkpa, Fakorede Cecilia Nireti, Atobatele Kofoworola Zainab","doi":"10.11648/J.CBE.20210603.13","DOIUrl":"https://doi.org/10.11648/J.CBE.20210603.13","url":null,"abstract":"Nontherapeutic antimicrobial usage in animal farms has been associated with the development and spread of resistant bacteria. The emergence of serious life-threatening infections from veterinary and environmental sources and treatment failures occurring with the available antibiotics warrants investigation into resistance of antimicrobial agents in poultry farms. This study therefore provides information on antibiotic resistance pattern of bacteria isolated from five commercial poultry farms in Ile Ife, a peri-urban settlement in Nigeria. Isolation of bacteria from droppings, feed and water samples, was performed by spread plate method using all purpose and selective media. Morphological and biochemical characterization of isolates was done. The antibiotics sensitivity of the recovered isolates was determined by Kirby-Bauer disk diffusion method. A total 151 bacterial isolates, comprising 11 genera of 8 Gram negative and 3 Gram positive bacteria were recovered. E. coli had highest incidence rate of 21.19%, followed by Bacillus sp. with 15.23%; while the least recorded incidence of 1.32% was Citrobacter sp. All five farms recorded a 100% resistance to at least two (2) classes of antibiotics. A 100% resistance was recorded for augmentin in all five (5) farms, while 100% resistance in four (4) farms was recorded for cloxacilin. Furthermore a 100% resistance against erythromycin and cefixime respectively was documented in three farms. The least percentage resistance of 30% was against ciprofloxacin in only one farm, while the overall highest susceptibility of 39% was to ofloxacin. The multiple antibiotic resistance index (MARI) of isolates from all farms ranged from 0.3 to 1. Up to 9 bacterial genera had MARI 1, including E. coli, Salmonella, Bacillus, Klebsiella, and Pseudomonas. This study is a further indication that poultry farms represents an important reservoir of antibiotic resistance bacteria. It also serves as a pointer to the need for enforcement of regulatory antibiotics use in poultry farming by the government, and controlled usage by all stakeholders.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":"394 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2021-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79561574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Janki Ruparelia, Aniruddh Rabari, Nishra Joshi, Asha Dhediya, Jigisha Halpati, Ankita A. Patel, C. Jha
{"title":"Reconnoitring Natural Antibacterial Appraisal of Medicinal Plants Extract Against Human Pathogen Salmonella Paratyphi A and Salmonella Paratyphi B","authors":"Janki Ruparelia, Aniruddh Rabari, Nishra Joshi, Asha Dhediya, Jigisha Halpati, Ankita A. Patel, C. Jha","doi":"10.11648/j.cbe.20210602.11","DOIUrl":"https://doi.org/10.11648/j.cbe.20210602.11","url":null,"abstract":"Regardless of the convenience of plentiful miscellaneous collection of synthetic products and high-throughput tactics for their biological testing, natural compounds twig at a major source for antimicrobial drug development. These compounds are exclusively treasured as they have endured natural assortment over time. In this study we concentrated on Ethnobotanical efficacy of Indian medicinal plants like Ocimum sanctum, Phyllanthus emblica and Bryophyllum pinnatum for defence against bacterial human pathogen salmonella paratyphi A and salmonella paratyphi B. Phytochemical screening of these plants was executed for constituents like alkaloids, flavonoids, tannins, steroids, glycosides, carbohydrates and aminoacids. The ethanol extract of these plants exhibited good activity against the human pathogens by agar well diffusion assay method and the MIC was recorded. Average mean zone of inhibition found by these plants ranged between 4 mm to 29 mm and 4 mm to 27 mm respectively for salmonella paratyphi A and salmonella paratyphi B. These results accomplish the antimicrobial potential of the medicinal plants and hence convey upkeep for the use of them in traditional medicine.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":"55 9 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2021-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77332721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
David H Bowskill, Isaac J Sugden, Stefanos Konstantinopoulos, Claire S Adjiman, Constantinos C Pantelides
{"title":"Crystal Structure Prediction Methods for Organic Molecules: State of the Art.","authors":"David H Bowskill, Isaac J Sugden, Stefanos Konstantinopoulos, Claire S Adjiman, Constantinos C Pantelides","doi":"10.1146/annurev-chembioeng-060718-030256","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-060718-030256","url":null,"abstract":"<p><p>The prediction of the crystal structures that a given organic molecule is likely to form is an important theoretical problem of significant interest for the pharmaceutical and agrochemical industries, among others. As evidenced by a series of six blind tests organized over the past 2 decades, methodologies for crystal structure prediction (CSP) have witnessed substantial progress and have now reached a stage of development where they can begin to be applied to systems of practical significance. This article reviews the state of the art in general-purpose methodologies for CSP, placing them within a common framework that highlights both their similarities and their differences. The review discusses specific areas that constitute the main focus of current research efforts toward improving the reliability and widening applicability of these methodologies, and offers some perspectives for the evolution of this technology over the next decade.</p>","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":"593-623"},"PeriodicalIF":8.4,"publicationDate":"2021-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"25520080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Karthik Pushpavanam, Jinrong Ma, Yifeng Cai, Nada Y Naser, François Baneyx
{"title":"Solid-Binding Proteins: Bridging Synthesis, Assembly, and Function in Hybrid and Hierarchical Materials Fabrication.","authors":"Karthik Pushpavanam, Jinrong Ma, Yifeng Cai, Nada Y Naser, François Baneyx","doi":"10.1146/annurev-chembioeng-102020-015923","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-102020-015923","url":null,"abstract":"<p><p>There is considerable interest in the development of hybrid organic-inorganic materials because of the potential for harvesting the unique capabilities that each system has to offer. Proteins are an especially attractive organic component owing to the high amount of chemical information encoded in their amino acid sequence, their amenability to molecular and computational (re)design, and the many structures and functions they specify. Genetic installation of solid-binding peptides (SBPs) within protein frameworks affords control over the position and orientation of adhesive and morphogenetic segments, and a path toward predictive synthesis and assembly of functional materials and devices, all while harnessing the built-in properties of the host scaffold. Here, we review the current understanding of the mechanisms through which SBPs bind to technologically relevant interfaces, with an emphasis on the variables that influence the process, and highlight the last decade of progress in the use of solid-binding proteins for hybrid and hierarchical materials synthesis.</p>","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":"333-357"},"PeriodicalIF":8.4,"publicationDate":"2021-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"25590352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Autobiography of Stanley I. Sandler.","authors":"Stanley I Sandler","doi":"10.1146/annurev-chembioeng-050520-013749","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-050520-013749","url":null,"abstract":"<p><p>I review my career from its academic beginning to my recent retirement. I grew up and studied chemical engineering in New York City. My initial failure to understand thermodynamics the way it had been taught, evidenced by the difficulty I had when starting graduate school, led me years later to write a textbook on the subject that is now in a fifth edition, in addition to other books I have written. My research areas have included molecular simulation, statistical- and quantum mechanical-based methods, and a variety of experimental thermodynamic measurements. In addition, I have been a consultant in traditional chemical engineering areas, as well in nontraditional areas, such as assisting in the design of a heat shield for interplanetary exploration, the destruction of armed chemical weapons, and the cleanup of nuclear weapons production facilities.</p>","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":"1-13"},"PeriodicalIF":8.4,"publicationDate":"2021-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"25384527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Emerging Biomedical Applications Based on the Response of Magnetic Nanoparticles to Time-Varying Magnetic Fields.","authors":"Angelie Rivera-Rodriguez, Carlos M Rinaldi-Ramos","doi":"10.1146/annurev-chembioeng-102720-015630","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-102720-015630","url":null,"abstract":"<p><p>Magnetic nanoparticles are of interest for biomedical applications because of their biocompatibility, tunable surface chemistry, and actuation using applied magnetic fields. Magnetic nanoparticles respond to time-varying magnetic fields via physical particle rotation or internal dipole reorientation, which can result in signal generation or conversion of magnetic energy to heat. This dynamic magnetization response enables their use as tracers in magnetic particle imaging (MPI), an emerging biomedical imaging modality in which signal is quantitative of tracer mass and there is no tissue background signal or signal attenuation. Conversion of magnetic energy to heat motivates use in nanoscale thermal cancer therapy, magnetic actuation of drug release, and rapid rewarming of cryopreserved organs. This review introduces basic concepts of magnetic nanoparticle response to time-varying magnetic fields and presents recent advances in the field, with an emphasis on MPI and conversion of magnetic energy to heat.</p>","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":"163-185"},"PeriodicalIF":8.4,"publicationDate":"2021-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"38875254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}