Assessment of protein assembly prediction in CASP13

We present the assembly category assessment in the 13th edition of the CASP community-wide experiment. For the second time, protein assemblies constitute an independent assessment category. Compared to the last edition we see a clear uptake in participation, more oligomeric targets released, and consistent, albeit modest, improvement of the predictions quality. Looking at the tertiary structure predictions we observe that ignoring the oligomeric state of the targets hinders modelling success. We also note that some contact prediction groups successfully predicted homomeric interfacial contacts, though it appears that these predictions were not used for assembly modelling. Homology modelling with sizeable human intervention appears to form the basis of the assembly prediction techniques in this round of CASP. Future developments should see more integrated approaches to modelling where multiple subunits are a natural part of the modelling process, which would benefit the structure prediction field as a whole

RESEARCH METHOD OF REDUCING POLARIZATION LAYER AT ULTRAFILTRATION OF COTTAGE CHEESE WHEY

The aim of the work is to study the process of membrane concentration of cottage cheese whey, using the bubbling method for decreasing polarization layer formation at the UF-membrane surface.  A description of the experimental set and processing method for research results of using the method of fighting against a polarization layer in the process of membrane concentration of protein-carbohydrate milk raw materials are presented. Results of the experimental studies as to using the bubbling method for decreasing polarization layer formation in the process of membrane concentration of cottage cheese whey and its influence on concentration membranes productivity are given.    Mathematical models, based on regression equations of factorial experiment with using the method of bubbling separated liquid above the membrane surface for choosing technological parameters of process of membrane concentration of cottage cheese whey, have been constructed. Graphic dependencies of the productivity of ultrafiltration polymer membranes of PAN type depending on initial pressure and temperature parameters of the process of membrane concentration are presented. Rational parameters of membrane concentration of cottage cheese whey using the method of bubbling initial raw materials by gas bubbles, directly close to the concentration membrane surface have been determined. Such parameters are: pressure – 0.4...0.5 МPа, temperature of skimmed milk – 40...50 ºС, skimmed milk bubbling frequency – 0.10...0.15 min-1, bubbling pressure must be 0.56...0.58 МPа. The expedience of using the new-method of gel-layer elimination has been established according to research result

Investigation of the Application of a New Method of Extraction Intensification of Pectin Substances From a Beet Pulp

The aim of research is studying a new method for intensifying extraction of pectin substances during acid extraction of pectin-containing raw materials. The description of the experimental setup and the procedure for processing the results of the investigation of the application of a new method for intensifying the beet pulp extraction are described. The results of experimental studies on the application of a new combined mixing element for intensifying the extraction of pectin-containing raw materials (beet pulp) and its effect on quantitative and qualitative output characteristics are presented. Mathematical models are constructed on the basis of regression equations of the full factorial experiment with the use of a new method of intensifying the extraction process to select input technological parameters for the extraction of pectin substances from pectin-containing raw materials. The rational operating parameters of the process of extraction of pectin substances with the use of a new combinable stirring element are determined. Such working parameters are: the process duration is 1 ... 1.1, the temperature of the working medium is 60 ... 70 ºС, and the hydromodule is 8 ... 10. The research results can be used to study other technological parameters of the extraction process of pectin substances, as well as to develop a technological line for the production of pectin products

INVESTIGATION OF THE APPLICATION OF A NEW METHOD OF EXTRACTION INTENSIFICATION OF PECTIN SUBSTANCES FROM A BEET PULP

The aim of research is studying a new method for intensifying extraction of pectin substances during acid extraction of pectin-containing raw materials. The description of the experimental setup and the procedure for processing the results of the investigation of the application of a new method for intensifying the beet pulp extraction are described. The results of experimental studies on the application of a new combined mixing element for intensifying the extraction of pectin-containing raw materials (beet pulp) and its effect on quantitative and qualitative output characteristics are presented. Mathematical models are constructed on the basis of regression equations of the full factorial experiment with the use of a new method of intensifying the extraction process to select input technological parameters for the extraction of pectin substances from pectin-containing raw materials. The rational operating parameters of the process of extraction of pectin substances with the use of a new combinable stirring element are determined. Such working parameters are: the process duration is 1 ... 1.1, the temperature of the working medium is 60 ... 70 ºС, and the hydromodule is 8 ... 10. The research results can be used to study other technological parameters of the extraction process of pectin substances, as well as to develop a technological line for the production of pectin products

Rational parameters selection of the excavator bucket holder with the help of shape topological optimization in Autodesk Fusion 360

Демонструються можливості знаходження раціональних параметрів для виробів. У роботі досліджується інструмент «Shape optimization» програмного забезпечення Fusion 360.The finding rational parameters possibilities for products are demonstrated. The article examines the Shape optimization tool of the Fusion 360 software

Дослідження нового методу інтенсифікації процесу екстрагування бурякового жому

We report results of experimental research into the process of acidic extraction of pectin-containing raw material (beet pulp) using the new model of the stirring element compared with the conventional grid stirrer. We have designed the experimental installation and devised a procedure for processing the results of studying the extraction process of pectin substances from pectin-containing raw materials (beet pulp), using the new combined stirring element. Mathematical models were constructed in the form of nonlinear regression equations based on the multifactor experiment planning method that employed input parameters of temperature, duration, and hydromodule. It was established that the principal influence on a change in the output parameters is exerted by the input variables of temperature and duration of the process.We show graphical dependences for quantitative and qualitative characteristics of pectin extracts (pectic substances concentration, molecular weight, complex- and gel-forming capability) depending on the input parameters of temperature and duration of the process for extraction of pectic substances. An analysis of these characteristics allowed us to determine the rational input parameters for the process of extraction of pectin substances. The rational working parameters of the process of acidic extraction of pectin substances from sugar beet pulp with the application of the new method for intensifying the process, are: temperature is 60...70 °C, duration is 1…1.1 hours, and hydromodule is 8...10.The purpose of this study was to intensify the extraction of pectic substances from pectin-containing raw materials, to improve technical level of the extraction process and to implement the developed method under industrial conditions. Based on the research results, the feasibility of the new method for intensification was established. Further implementation of these results in the food and processing industries would make it possible to produce a wide assortment of pectin-products (extracts, liquid and dry pectin concentrates).Освещены результаты экспериментальных исследований процесса кислотного экстрагирования пектинсодержащего сырья (свекловичного жома) с применением новой модели перемешивающего элемента по сравнению с обычной решетчатой мешалкой. Разработана экспериментальная установка и методика обработки результатов исследования процесса экстрагирования пектиновых веществ из пектинсодержащего сырья (свекловичного жома) с применением нового комбинированного перемешивающего элемента. Построены математические модели в виде нелинейных регрессионных уравнений методом планирования многофакторного эксперимента с входными параметрами температуры, продолжительности и гидромодуля. При этом установлено, что основное влияние на изменение выходных параметров составляют входные переменные температуры и продолжительности процесса.Приведены графические зависимости количественных и качественных характеристик пектиновых экстрактов (концентрация пектиновых веществ, молекулярная масса, комплексо- и гелеобразующей способности) в зависимости от входных параметров температуры и продолжительности процесса экстрагирования пектиновых веществ. Анализ этих характеристик позволил установить рациональные входные параметры процесса экстрагирования пектиновых веществ. Рациональными рабочими параметрами процесса кислотного экстрагирования пектиновых веществ из свекловичного жома с применением нового метода интенсификации процесса являются: температура 60...70 °С, продолжительность – 1...1,1 часа и гидромодуль 8...10.Данное исследование проведено с целью интенсификации извлечения пектиновых веществ из пектинвмиснои сырья, повышение технического уровня процесса экстрагирования и реализации разработанного метода в промышленных условиях. По результатам исследований была установлена целесообразность применения нового метода интенсификации. Дальнейшее внедрение этих результатов в пищевую и перерабатывающую промышленность позволяет наладить производство широкого ассортимента пектинопродуктив (экстракты, жидкие и сухие пектиновые концентраты)Висвітлено експериментальні дослідження процесу кислотного екстрагування пектинвмісної сировини (бурякового жому) із застосуванням нової моделі перемішувального елементу порівняно зі звичайною решітчастою мішалкою. Розроблено експериментальну установку і методику обробки результатів дослідження процесу екстрагування пектинових речовин із пектинвмісної сировини (бурякового жому) із застосуванням нового комбінованого перемішувального елементу. Побудовані математичні моделі у вигляді нелінійних регресійних рівнянь за методом планування багатофакторного експерименту з вхідними параметрами температури, тривалості та гідромодуля. При цьому встановлено, що основний вплив на зміну вихідних параметрів становлять вхідні змінні температури та тривалості процесу.Приведені графічні залежності кількісних та якісних характеристик пектинових екстрактів (концентрація пектинових речовин, молекулярна маса, комплексо- та драглеутворювальної здатность) в залежності від вхідних параметрів температури та тривалості процесу екстрагування пектинових речовин. Аналіз цих характеристик дозволив встановити раціональні вхідні параметри процесу екстрагування пектинових речовин. Раціональними робочими параметрами процесу кислотного екстрагування пектинових речовин з бурякового жому із застосуванням нового методу інтенсифікації процесу є температура 60…70 ºС, тривалість – 1…1,1 години та гідромодуль 8…10.Дане дослідження проведене з метою інтенсифікації вилучення пектинових речовин з пектинвмісної сировини, підвищення технічного рівня процесу екстрагування та реалізації розробленого методу в промислових умовах. За результатами досліджень було встановлено доцільність застосування нового методу інтенсифікації. Подальше впровадження цих результатів у харчову та переробну промисловість дає змогу налагодження виробництва широкого асортименту пектинопродуктів (екстракти, рідкі та сухі пектинові концентрати

Fine tuned personalized machine learning models to detect insomnia risk based on data from a smart bed platform

IntroductionInsomnia causes serious adverse health effects and is estimated to affect 10–30% of the worldwide population. This study leverages personalized fine-tuned machine learning algorithms to detect insomnia risk based on questionnaire and longitudinal objective sleep data collected by a smart bed platform.MethodsUsers of the Sleep Number smart bed were invited to participate in an IRB approved study which required them to respond to four questionnaires (which included the Insomnia Severity Index; ISI) administered 6 weeks apart from each other in the period from November 2021 to March 2022. For 1,489 participants who completed at least 3 questionnaires, objective data (which includes sleep/wake and cardio-respiratory metrics) collected by the platform were queried for analysis. An incremental, passive-aggressive machine learning model was used to detect insomnia risk which was defined by the ISI exceeding a given threshold. Three ISI thresholds (8, 10, and 15) were considered. The incremental model is advantageous because it allows personalized fine-tuning by adding individual training data to a generic model.ResultsThe generic model, without personalizing, resulted in an area under the receiving-operating curve (AUC) of about 0.5 for each ISI threshold. The personalized fine-tuning with the data of just five sleep sessions from the individual for whom the model is being personalized resulted in AUCs exceeding 0.8 for all ISI thresholds. Interestingly, no further AUC enhancements resulted by adding personalized data exceeding ten sessions.DiscussionThese are encouraging results motivating further investigation into the application of personalized fine tuning machine learning to detect insomnia risk based on longitudinal sleep data and the extension of this paradigm to sleep medicine

Granular clustering of de novo protein models: application to molecular replacement

status: accepte