bluuebunny/crossref_metadata_2025 huggingface dataset:
Deucravacitinib in plaque psoriasis: 2-year laboratory results from the phase 3 POETYK PSO program
Authors: Korman Neil J. , Passeron Thierry , Gordon Kenneth B. , Okubo Yukari , Bagel Jerry , Sofen Howard , Warren Richard B. , Bhatia Neal , Spelman Lynda , Winthrop Kevin , Hippeli Lauren , Kisa Renata M. , Banerjee Subhashis , Thaçi Diamant
Published: March 2023

Introduction: Deucravacitinib, an oral, selective, allosteric tyrosine kinase 2 inhibitor, is approved by the US Food and Drug Administration for the treatment of adults with moderate-to-severe plaque psoriasis who are candidates for systemic therapy or phototherapy. In the phase 3 POETYK PSO-1 and PSO-2 trials, deucravacitinib was significantly more efficacious than placebo and apremilast and was well tolerated in moderate to severe plaque psoriasis. PSO-1 and PSO-2 completers could enroll in the ongoing open-label POETYK long-term extension (LTE) trial. Changes in blood laboratory parameters with deucravacitinib in the PSO-1, PSO-2, and LTE trials were compared with signature changes seen with JAK 1/2/3 inhibitors.

Methods: The 52-week, double-blind PSO-1 (NCT03624127) and PSO-2 (NCT03611751) trials randomized adults with moderate to severe plaque psoriasis 2:1:1 to deucravacitinib 6 mg once daily, placebo, or apremilast 30 mg twice daily. At Week 52, eligible patients enrolled in POETYK LTE (NCT04036435) and received deucravacitinib. Changes from baseline in hematologic parameters (lymphocytes, neutrophils, platelets, hemoglobin) and lipid and chemistry parameters (cholesterol, creatinine, CPK, ALT) were assessed through Week 100 (LTE Week 48). CTCAE grade ≥3 laboratory abnormalities and treatment discontinuations due to laboratory abnormalities were evaluated.

Results: 1519 patients received ≥1 dose of deucravacitinib in all 3 trials. In total, 1179 (77.6%) and 584 (38.4%) patients had ≥52 and ≥104 weeks, respectively, of continuous deucravacitinib exposure; median duration of exposure was 682.0 days (97 weeks). No trends in clinically meaningful changes from baseline were observed in these parameters from Weeks 0–52 or in the LTE. Grade 3 or 4 abnormalities over 100 weeks of deucravacitinib treatment were rare, with incidence rates comparable to placebo and apremilast through Week 52; no increases were seen in the LTE. Two patients discontinued deucravacitinib due to lymphopenia and abnormal hepatic function.

Conclusion: No trends in clinically meaningful changes from baseline were observed with deucravacitinib in laboratory parameters, including signature changes associated with JAK 1/2/3 inhibitors. Treatment discontinuations and grade 3 or 4 laboratory abnormalities were rare and comparable to incidence rates seen with placebo and apremilast. These results suggest laboratory monitoring is not warranted with deucravacitinib.
A “no-touch” neck “mass” in a child
Authors: Kanamathareddy Harsha Veena , Irodi Aparna , Mathai John , Gurijala Phaneendra Rao
Published: March 2023

Aberrant cervical thymus is a rare cause of pediatric neck masses related to the embryological development. In most of the cases, this condition is asymptomatic and essentially benign in nature. Here, we describe the sonological and magnetic resonance imaging (MRI) features of cervical thymus in a 2-month-old baby who presented with the left submandibular swelling. The unique imaging findings on ultrasound and MRI paralleling that of the normal thymus tissue were helpful in confidently establishing the diagnosis. Therefore, the radiologist must be aware of the condition and the typical normal appearance of thymus which can obviate the need for biopsy or surgical intervention.
Case report of pediatric anterior urethral diverticulum arising at the bulbar urethra
Authors: Gadhari Prabodhini Rajendra , Ghatge Sharad Balasaheb
Published: March 2023

Congenital anterior urethral diverticulum at the bulbar urethra is a rare entity. Accumulation of urine within the diverticulum causes obstruction to the free flow of urinary stream and resultant symptoms such as difficulty in micturition, dribbling of urine, and urinary tract infection. Correct recognition of this condition is important to initiate early surgical treatment. Micturating cystourethrogram and ultrasonography are imaging modalities of choice for identification and surgical planning of this entity.
Cerebriform intradermal nevus manifesting as cutis verticis gyrata
Authors: Abhiram P. S , Patil Shrishail S.
Published: March 2023

Cutis verticis gyrata (CVG) is a rare scalp condition characterized by scalp skin redundancy that manifests as thickening of scalp skin with furrows and convoluted folds, giving out a cerebriform pattern of external appearance. CVG might manifest either as primary or secondary to an underlying cause. This case demonstrates the typical imaging findings of CVG that was provisionally diagnosed on imaging and confirmed on histopathology as secondary to cerebriform intradermal nevus in a healthy adolescent girl presenting with history of focal irregular scalp thickening since birth.
Diffusion tensor imaging in evaluation of intradural spinal tumors – A case series
Authors: Arora Suryansh , Mehra Shibani , Garga Umesh
Published: March 2023

Diffusion tensor imaging (DTI) is an advanced magnetic resonance imaging (MRI) technique which utilizes diffusion measurements in multiple directions to provide information regarding tissue structure by parameters such as fractional anisotropy (FA) and apparent diffusion coefficient along with generation of fiber tractography maps. We investigated DTI using single shot echo planar imaging in 20 diffusion directions on 3T MRI in nine patients diagnosed with intradural spinal tumors and found significant reduWction in FA value within the lesion compared to FA value at normal cord. Tractography maps generated by DTI were useful in differentiating intramedullary from extramedullary location of tumor. Tractography also provided useful information regarding tract infiltration or displacement in cases of intramedullary neoplasms. Thus, DTI proved helpful in classification, characterization, and treatment planning of intradural spinal tumors.
Lollipop stick en-route cecum: Mimic of appendicitis
Authors: Chawla Siddhi , Choudhary Vasantha , Kasniya Ravi
Published: March 2023

Acute appendicitis is commonly encountered abdominal emergency in children which present clinically with acute onset right iliac fossa pain. We present a case by a 5-year-old child which presented in a similar manner, however, was subsequently diagnosed with perforation in cecum secondary to foreign body ingestion on contrast-enhanced computed tomography.
SUPPRESSION OF PRO-INFLAMMATORY CYTOKINE PRODUCTION IN PERIPHERAL BLOOD NATURAL KILLER CELLS OF PATIENTS WITH CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY NORTRIPTYLINE
Authors:   Belarusian State Medical University, Minsk, Belarus, Kadushkin A. G. , Tahanovich A. D. ,   Belarusian State Medical University, Minsk, Belarus, Khadasouskaya A. V. ,   Belarusian State Medical University, Minsk, Belarus, Kolesnikova T. S. ,   Belarusian State Medical University, Minsk, Belarus
Published: March 2023

Aim. To determine the ability of nortriptyline, alone and in combination with budesonide, to inhibit the production of pro-inflammatory cytokines in the peripheral blood natural killer (NK) cells of patients with chronic obstructive pulmonary disease (COPD) and to establish the molecular mechanisms of the combined action of these drugs. Material and methods. Blood cells from COPD patients (n=21) were incubated with budesonide, nortriptyline, or their combination. Cytokine production, expression of glucocorticoid receptor β (GRβ), histone deacetylase 2 (HDAC2), and phosphorylated p38 mitogen-activated protein kinase (p-p38 MAPK) in NK cells were analyzed by flow cytometry. Results. The combination of nortriptyline (10 μM) and budesonide (10 nM) reduced the synthesis of interleukin 4 (IL-4), IL-8, interferon γ, tumor necrosis factor α as well as the expression of GRβ and p-p38 MAPK in NK cells; it also increased the expression of HDAC2 more significantly than budesonide alone. Conclusions. Nortriptyline enhances the anti-inflammatory effect of budesonide by altering the expression of HDAC2, GRβ, p-p38 MAPK in peripheral blood NK cells of patients with COPD. The data obtained indicate the advisability of combining nortriptyline with budesonide for the treatment of COPD.
NUMERICAL SOLUTION TO THE PROBLEM OF TWO–PHASE FILTRATION WITH HETEROGENEOUS COEFFICIENTS BY THE FINITE ELEMENT METHOD
Authors: Васильева М.В. , Прокопьев Г.А.
Published: March 2023

Рассматривается процесс фильтрации двухфазной жидкости в пористой неоднородной среде. Данный процесс описывается связанной системой уравнений для насыщенности, скорости фильтрации и порового давления. Рассмотрены математические модели с учетом и без учета капиллярных сил, при наличии которого для насыщенности имеем нестационарное уравнение конвекции-диффузии. Поскольку данный процесс характеризуется существенным преобладанием конвективного слагаемого в уравнении для насыщенности, используются противопотоковые аппроксимации посредством добавления неоднородной искусственной диффузии. Скорость и давление аппроксимируются с использованием смешанного метода конечных элементов. Представлены результаты численных расчетов для двумерного случая с сильно неоднородными коэффициентами проницаемости пористой среды. Рассмотрены несколько случаев, связанных с линейными и нелинейными коэффициентами относительной проницаемости флюида и наличием капиллярных сил.

We consider the process of filtration of a two-phase fluid in a porous, heterogeneous medium. This process is described by a coupled system of equations for saturation, filtration rate, and pore pressure. We consider mathematical models with and without capillary forces, in the presence of which, for saturation, we have a nonstationary convection-diffusion equation. Since this process is characterized by a significant predominance of the convective term in the equation for saturation, countercurrent approximations are used by adding non-uniform artificial diffusion. Speed and pressure are approximated using a mixed finite element method. The results of numerical calculations for a two-dimensional case with strongly heterogeneous permeability coefficients of a porous medium are presented. Several cases of relative fluid permeability associated with linear and nonlinear coefficients and the presence of capillary forces are considered.
ON THE SOLUTION REGULARITY OF AN EQUILIBRIUM PROBLEM FOR THE TIMOSHENKO PLATE HAVING AN INCLINED CRACK
Authors: Лазарев Н.П. , Хиромичи И. , Сивцев П.В. , Тихонова И.М.
Published: March 2023

Исследуется задача о равновесии упругой трансверсально-изотропной пластины (модели Тимошенко), содержащей сквозную наклонную трещину. Считается что трещина не выходит на внешнюю границу. В исходном состоянии предполагается, что противоположные берега соприкасаются друг с другом. При этом трещина описывается с помощью поверхности, которая удовлетворят определенным предположениям. На кривой, задающей трещину в срединной плоскости, ставится краевое условие в виде неравенства, описывающее непроникание противоположных берегов трещины. На внешней границе заданы однородные условия Дирихле. Установлена локальная дополнительная гладкость решения по сравнению с заданной в вариационной формулировке при определенных условиях на поверхность, задающую трещину. Доказана бесконечная дифференцируемость функции решения при дополнительных предположениях на функцию, задающую внешние нагрузки, а также на значения функций перемещений вблизи кривой, описывающей трещину.

The equilibrium problem for an transversely isotropic elastic plate (Timoshenko model) with an inclined crack is studied. It is supposed that the crack does not touch the external boundary. For initial state, we assume that opposite crack faces are in contact with each other on a frictionless crack surface. Herewith, the crack is described with the use of a surface satisfying certain assumptions. On the crack curve defining the crack in the middle plane, we impose a nonlinear boundary condition as an inequality describing the nonpenetration of the opposite crack faces. It is assumed that on the exterior boundary of the cracked elastic plate the homogeneous Dirichlet boundary conditions are prescribed. We establish additional smoothness of the solution in comparison with that given in the variational statement. We prove that the solution functions are infinitely smooth under additional assumptions on the function of external loads and the functions of displacements near the curve describing the inclined crack.
Boundary problem for a third-order equation not solved with respect to the highest production
Authors: Егоров И.Е. , Ефимова Е.С.
Published: March 2023

Рассматривается краевая задача для уравнения третьего порядка, не разрешенного относительно старшей производной. Уравнения такого типа, часто называемые уравнениями соболевского типа, встречаются во многих прикладных задачах. С помощью нестационарного метода Галёркина и метода регуляризации доказана теорема существования и единственности регулярного решения краевой задачи. Также получена оценка погрешности метода Галёркина через параметр регуляризации и собственные значения спектральной задачи для оператора Лапласа.

We consider a boundary value problem for the third-order equation not solvable with respect to the highest-order derivative. Equations of this type, often called Sobolev type equations, occur in many applied problems. The nonstationary Galerkin method and regularization method are applied to prove the existence and uniqueness theorem for a regular solution of the boundary value problem. Also we obtain an error estimate via regularization parameter and in terms of eigenvalues of the spectral problem for the Laplace operator.
Numerical research on effect of thermal insulation on a gas pipeline’s performance in Far North environment
Authors: Иванов В.А.
Published: March 2023

Исследованы параметры течения газа в магистральном газопроводе в зависимости от перепада давления. На основании уравнений газовой динамики и состояния реального газа установлены распределения температуры и давления по длине газопровода при известных параметрах поступающего газа. Определена зависимость массового расхода газа от известного давления на выходе. Задача теплового взаимодействия движущегося газа и мерзлых грунтов решается в сопряженном виде, что позволяет точнее описать реальный физический процесс. С помощью численного моделирования методом конечных элементов исследованы различные варианты теплоизоляции магистрального газопровода и их влияние на его режим работы.

A research on gas ﬂow parameters related to pressure drop in a pipeline is conducted. Temperature and pressure distributions along the pipeline are established in accordance with the equations of gas dynamics and the state equation of a real gas with known parameters of incoming gas. Dependence of the mass ﬂow on the known outlet pressure is evaluated. Thermal interaction of the moving gas and the frozen soil is simulated in a conjugate form and thus the real physical process is described more accurately. By means of numerical modeling with the finite elements method various thermal insulation options are examined.
EINSTEIN EQUATION ON THREE–DIMENSIONAL LOCALLY SYMMETRIC (PSEUDO)RIEMANNIAN MANIFOLDS WITH VECTORIAL TORSION
Authors: Клепиков П.Н. , Родионов Е.Д. , Хромова О.П.
Published: March 2023

Последнее время становится актуальным изучение (псевдо)римановых многообразий с различными афинными связностями, отличными от связности ЛевиЧивита. Метрическая связность с векторным кручением (также известная как полусимметрическая связность) является одной из часто рассматриваемых связностей. Связь между конформными деформациями римановых многообразий и метрическими связностями с векторным кручением на них была установлена в работах К. Яно. А именно, риманово многообразие допускает метрическую связность с векторным кручением, тензор кривизны которой равен нулю, тогда и только тогда, когда оно является конформно плоским. В данной работе впервые исследуется уравнение Эйнштейна на трехмерных локально симметрических (псевдо)римановых многообразиях с метрической связностью с инвариантным векторным кручением. Получена теорема о том, что все такие многообразия либо являются многообразиями Эйнштейна относительно связности Леви-Чивита, либо являются конформно плоскими.

The study of (pseudo)Riemannian manifolds with different metric connections different from the Levi-Civita connection has become a subject of current interest lately. A metric connection with vectorial torsion (also known as a semi-symmetric connection) is a frequently considered one of them. The correlation between the conformal deformations of Riemannian manifolds and metric connections with vectorial torsion on them was established in the works of K. Yano. Namely, a Riemannian manifold admits a metric connection with vectorial torsion, the curvature tensor of which is zero, if and only if it is conformally flat. In this paper, we study the Einstein equation on three-dimensional locally symmetric (pseudo)Riemannian manifolds with metric connection with invariant vectorial torsion. We obtain a theorem stating that all such manifolds are either Einstein manifolds with respect to the Levi-Civita connection or conformally flat.
Splitting schemes for the thermoporoelasticity problem in fractured media
Authors: Ammosov D.A. , Vasilyeva M.V. , Babaei M. , Chung E.T.
Published: March 2023

We consider the thermoporoelasticity problem in the fractured geothermal reservoir. We use a hierarchical fracture representation, where small-scale highly connected fractures are represented by the classical dual porosity model and large-scale dense fractures are represented with the use of a discrete fracture model. The mathematical model is described by a coupled system of equations for temperature and pressure in the coupled dual continuum porous media with discrete fractures, where deformations are considered based on the effective media approach. For the numerical solution, we construct unstructured grids that resolve large-scale fractures explicitly on the grid level for the mixed-dimensional formulation of the pressure and temperature equations. The discrete system is constructed based on the finite element method with an implicit scheme for approximation by time. For effective solution of the obtained coupled system of equations for pressures, temperatures, and displacements for multicontinuum media, we present and study the splitting schemes based on fixed stress splitting. The results of the numerical simulation for the two-dimensional problem and a numerical study of the splitting schemes for the model problems are presented for two sets of parameters to show stability of the proposed schemes.
Simulation of the process of infiltration into fractured porous soil in permafrost
Authors: Степанов С.П. , Григорьев А.В. , Афанасьева Н.М.
Published: March 2023

Приводится математическое моделирование комплексной мультифизичной задачи, актуальной для территорий Крайнего Севера и Арктики. Актуальность данной задачи характеризируется важностью процесса просачивания при формировании и оттаивании слоя вечной мерзлоты. Современные прикладные задачи по большей части требуют учета сложных геометрий, а также большого количества разных процессов и их взаимовлияния. Мультифизичная модель состоит из уравнения Ричардса для описания процесса просачивания, модели двойной пористости для описания естественной трещиноватости грунта, задачи Стефана для описания температурного режима грунта в условиях криолитозоны. Вычислительный алгоритм базируется на конечно-элементной аппроксимации по пространству на триангулированных сетках Делоне и использовании схемы расщепления по времени с применением линеаризации с предыдущего временного слоя.

The article provides mathematical modeling of the complex multiphysical problem relevant for the territories of the Far North and the Arctic. The relevance of this task is characterized by importance of the seepage process in the formation and thawing of the permafrost layer. Modern applications for the most part require consideration of complex geometries, as well as a large number of different processes and their mutual relationship. The multiphysical model consists of the Richards equation to describe the seepage process, the double porosity model to describe natural soil fracturing, the Stefan task to describe the temperature regime of the soil in permafrost zone conditions. The computational algorithm is based on finite-element space approximation on triangulated Delone meshes and using of a time splitting scheme using linearization from a previous time layer.
Inverse problems for a quasilinear parabolic system with integral overdetermination conditions
Authors: Пятков С.Г. , Уварова М.В. , Пронькина Т.В.
Published: March 2023

Рассматривается вопрос о корректности в пространствах Соболева обратной задачи определения функции источника для квазилинейной параболической системы второго порядка. Главная часть оператора линейна. В качестве условий переопределения рассматриваются интегральные условия переопределения. Показано, что в случае не более чем линейного роста нелинейного слагаемого по своим аргументам решение существует и единственно в целом по времени и задача корректна в классах Соболева. Условия на данные задачи минимальны.

The question of well-posedness in Sobolev spaces of inverse problems of recovering the source in a quasilinear parabolic system of the second order is examined. The main part of the operator is linear. The integral overdetermination conditions are considered. It is shown that in the case of at most linear growth of the nonlinear summand in its arguments, there exists a unique solution to this problem globally in time and the problem itself is well-posed in the Sobolev classes. The conditions on the data are sharp.
A firm model with strict regulation and management influence on profit
Authors: Мартыненко А.В. , Вихарев С.В.
Published: March 2023

Предлагаемая в работе модель фирмы представляет собой задачу оптимального управления, в которой критерием качества управления выступает прибыль за фиксированный промежуток времени — интеграл от функции прибыли по конечному интервалу. В качестве функции прибыли здесь рассматривается разность между выпуском, определяемым неоклассической производственной функцией, и затратами, которые задаются функцией, являющейся решением вспомогательной задачи. При этом некоторые дополнительные ограничения, накладываемые на производственную функцию и условия вспомогательной задачи для определения функции затрат, учитывают влияние управленческой деятельности и отражают особенности функционирования фирмы в условиях строгой регламентации ее работы со стороны регулятора. В частности, предполагается, что управленческая деятельность оказывает влияние как на объем производства, так и на величину затрат и в рамках данной постановки максимизация прибыли является результатом оптимального распределения управленческой деятельности между управлением производством и деятельностью по снижению затрат. На основе принципа максимума Понтрягина в работе установлены некоторые свойства решений поставленной задачи управления. В частности, при достаточно общих предположениях показано, что оптимальное управление имеет нулевой режим в финальной стадии, и найдены точные условия, при которых нулевой режим управления является оптимальным на всем рассматриваемом промежутке времени.

We propose and investigate a firm model in the form of an optimal control problem, where the optimal control criterion is the total profit over a finite period (the integral of the profit function over a finite time interval). We consider the profit function as the difference between the revenue and cost functions, where the revenue function is determined by a neoclassical production function and the cost function is a solution to some auxiliary problem. Some additional restrictions on the production function and conditions of the auxiliary problem for the cost function take into account the impact of management practice and government regulations of firms. In particular, we assume that the management affects the output as well as costs, while the profit maximization is achieved by optimal distribution of the management between them. We establish some properties of solutions to the optimal control problem using the Pontryagin maximum principle. In particular, it was shown that the optimal control has the zero regime in the final stage. Also, we found sharp conditions under which the optimal control is zero at any time.
The Cauchy problem for a nonlinear degenerate parabolic system in non-divergence form
Authors: Aripov M. , Matyakubov A.S. , Imomnazarov B.Kh.
Published: March 2023

We deal with degenerate quasilinear parabolic systems in the non-divergence form under positive initial conditions. An asymptotic behavior of self-similar solutions in the case of slow diffusion is established. Depending on values of the numerical parameters and the initial value, the existence of the global solutions of the Cauchy problem is proved. In addition, the asymptotic representation of the solution is obtained.
ON THE CONTROL PROBLEM ASSOCIATED WITH THE HEATING PROCESS
Authors: Dekhkonov F.N.
Published: March 2023

In the paper, we consider the initial-boundary problem for the heat conduction equation inside a bounded domain. On the part of the border of the considered domain, the value of the solution with control parameter is given. Restrictions on the control are given in such a way that the average value of the solution in some part of the considered domain gets a given value. It is supposed that on the boundary of this domain the heat exchange takes place according to Newton’s law. The control parameter is equal to the magnitude of output of hot or cold air and is deﬁned on a given part of the boundary, and the weight function is not assumed to be strictly positive in the given domain. Then, we found the dependence T (θ) on the parameters of the temperature process when θ is close to critical value.
THEORETICAL SUBSTANTIATION OF ULTRASONIC IMPACT WHEN WORKING IN PULSED MODE ON A LIQUID TO REDUCE CAVITATION
Authors: Голых Р.Н. , Минаков В.Д.
Published: March 2023

На сегодняшний день импульсное ультразвуковое воздействие на практике не используется из-за отсутствия достаточного научного обоснования необходимых режимов и условий реализации процесса,исследовано ультразвуковое импульсное воздействие для случая неограниченного объёма и плоской волны, когда явления отражения, интерференции и дифракционного расхождения волн не оказывают влияния на форму импульсов и, следовательно, эффективность протекания процесса. Для этого была предложена модель формирования и распространения ультразвуковых импульсов и кавитационной зоны, которая позволила обосновать эффективность ультразвукового импульсного воздействия для уменьшения кавитации в технологических объёмах близким к реальным. Далее предложен метод и алгоритм решения данного уравнения, учитывающий изменения амплитуды давления с течением времени за счёт интерференции импульсов. Для объективного исследования возможности возникновения кавитации с учётом отражений и интерференции проведены расчёты распределений кавитационных зон,которые подтвердили эффективность ультразвукового импульсного воздействия в технологических объёмах, используемых на практике.

o date, impulse ultrasonic influence is not used in practice due to the lack of sufficient scientific substantiation of the necessary modes and conditions for the process, ultrasonic impulse action for the case of unlimited volume and flat wave, when phenomena of reflection, interference and diffraction divergence of waves do not influence the form of pulses and, consequently, the efficiency of the process. To this end, a model for the formation and distribution of ultrasonic pulses and cavitation zone was proposed, which allowed to substantiate the effectiveness of ultrasonic impulse action in order to reduce cavitation in technological volumes close to real. The method and algorithm of solution of this equation, which takes into account changes of amplitude of pressure over time due to interference of pulses, are proposed. In order to objectively investigate the possibility of cavitation taking into account reflections and interference, calculations of cavitation zone distributions were carried out, which confirmed the effectiveness of ultrasonic impulse influence in technological volumes used in practice.
A SYSTEM OF CRITERIA FOR DETERMINING THE MAIN MECHANISM OF MAGNETIZATION REVERSAL IN ALLOYS OF HIGHLY ANISOTROPIC MAGNETS
Authors: Манаков Н.А. , Ерёмин А.М.
Published: March 2023

Проведен систематический анализ результатов исследования гистерезисных свойств сплавов высокоанизотропных магнетиков разной степени дисперсности, получаемых методами быстрой закалки из жидкого состояния или осаждения из паровой фазы. Выявлены закономерности процессов намагничивания и перемагничивания нанокристаллических, субмикрокристаллических, микрокристаллических и мелкокристаллических сплавов типа SmCo5 и Nd2Fe14B. На основе этих закономерностей получена система критериев, характеризующих тот или иной основной механизм перемагничивания этих групп сплавов. Эту систему критериев можно использовать при изучении сплавов высокоанизотропных магнетиков любой степени дисперсности, начиная от аморфного состояния и кончая литыми сплавами для определения природы их магнитного гистерезиса и потенциальных возможностей их практического использования.

A systematic analysis of the results of a study of the hysteresis properties of alloys of highly anisotropic magnets of various degrees of fineness obtained by rapid quenching from a liquid state or deposition from a vapor phase is carried out. Regularities in the processes of magnetization and magnetization reversal of nanocrystalline, submicrocrystalline, microcrystalline and finely crystalline alloys of the SmCo5and Nd2Fe14B types are revealed. On the basis of these regularities, a system of criteria is obtained that characterize one or another main mechanism of magnetization reversal of these groups of alloys. This system of criteria can be used in the study of highly anisotropic magnetic alloys of any degree of fineness, from the amorphous state to cast alloys, to determine the nature of their magnetic hysteresis and the potential for their practical use.
THE MUTUAL INFLUENCE INVESTIGATION OF A COMPOSITE POLYMER MATERIAL WORKPIECE AND A TECHNOLOGICAL MANDREL DURING THE MANUFACTURING PROCESS TEMPERATURE TREATMENT
Authors: Склезнев А.А. , Бабичев А.А. , Разин А.Ф.
Published: March 2023

В работе исследуются вопросы повышения физико-механических свойств армированного полимерного композиционного материала в процессе технологической намотки путём создания остаточных напряжений перед термообработкой, что на практике зачастую приводит к повреждению технологической оснастки или разрушению заготовки изделия при отверждении вследствие значительного различия коэффициентов линейного температурного расширения композиционного материала и металлической оправки. В результате анализа результатов вычислительного эксперимента анализируются возникающие повреждения и напряжения в композиционном материале. Предложено конструктивно-технологическое решение для обеспечения упругой компенсации избыточных напряжений, возникающих в заготовке углепластиковых изделий, создаваемых при помощи автоматизированной мокрой намотки и последующей температурной обработки. Данное решение позволит добиться программируемого повышения предела прочности однонаправленного углепластикового материала на растяжение на 10-15 % с гарантированным обеспечением отсутствия повреждения как заготовки изделия, так и металлической оправки или её составных частей.

The paper investigates the issues of improving of the mechanical properties of a reinforced polymer composite material in the process of technological winding by creating residual stresses before heat treatment, which in practice often leads to damage to the technological equipment or destruction of the workpiece during curing due to a significant difference in the coefficients of linear thermal expansion of the composite material and metal frame. As a result of the computational experiment, the resulting damage and stresses in the composite material are analyzed. A constructive and technological solution has been proposed to provide elastic compensation for excess stresses arising in the workpiece of carbon fiber products created using automated wet winding and subsequent heat treatment. Proposed solution will make it possible to achieve a programmable increase in the tensile strength of a unidirectional carbon fiber material by 10–15% with a guaranteed absence of damage to both the product workpiece and the metal mandrel or its components.
Material interface study of transition metal chalcogenides for charge transport in perovskite solar cells
Authors: M Sri K , Du Aijun , Russo Salvy P.
Published: March 2023

Heterojunctions are expected to show an intrinsic electric field gen-eration at their material interface/s that influences the exciton separa-tion and transport in solar cell devices. Since Perovskite Solar cells (PSCs) having multi material junction interfaces in their configura-tions, their performance is inevitably influenced by this feature. The differences in the crystallization process at the confluences of the materials with respect to the process of manufacturing might lead to variations in the charge distribution between the materials and affect the electric field generation. In this work an Ab initio Density Func-tional Theory (DFT) study is used to investigate the electronic charge re-distribution between the MAPbX3 (X=Cl, Br, or I) and two-dimensional (2D) material interfaces. These 2D materials have been assessed for potential electron or hole transporting layers (ETL and HTL) application in PSCs. The results were compared between three possible MAPbX3 materials to figure out the perfor-mance variation among these PSCs. This study reveals the effect of this interface charge re-distribution on efficiency of PSCs. The materials considered are the layered crystal structures of inorganic, transition metal chalcogenides (TMCs i.e., TcS2, TcSe2). Quantita-tive inter layer charge redistribution and internal electric field analy-sis between perovskite and these TMCs is conducted and compared using Bader charge analysis. The strain induced due to lattice mis-match vary the band edges and thus the inferences made based on pure band edge positions would not be enough to prove the feasi-bility of charge transport
Charge Inversion Ion/Ion Reactions for Separations of Isomers by Ion Mobility/Mass Spectrometry: Oligosaccharides
Authors: Gurav Ankita , Webb Ian
Published: March 2023

Various ion mobility-based separation techniques and instruments have been recently developed to increase the operational resolution of ion mobility separations, especially of isomers and isobars. In addition to developments in instrumentation, different covalent and noncovalent derivatization techniques have helped achieve effective separations by magnifying minor differences in collision cross section. Among these methodologies is host-guest complex formation and, a new development presented herein, charge inversion ion-ion reactions coupled to ion mobility separations. We used these methods to enable formation of complexes between isomeric deprotonated oligosaccharides and alkaline earth metals (in solution) and alkaline earth metal-tris-phenanthroline complexes (in vacuo), observing shifts in ion mobility arrival times for the charge inversion reaction products as well as unique mobility fingerprints indicative of high resolution separations of anomers of disaccharides. For example, we have demonstrated separations between reducing disaccharides such as lactose and lactulose and nonreducing disaccharides. We also observed separations based on the hexose/pentose configurations of the isomers. These results suggest the potential for ion/ion reactions to enable isomer separation of biomolecules from various compound classes using IM-MS.
Oligomeric remodelling by molecular glues revealed using native mass spectrometry and mass photometry
Authors: Huang Xiaojing , Kamadurai Hari , Siuti Piro , Ahmed Ezaz , Bennett Jack , Donald William
Published: March 2023

Molecular glues stabilize interactions between E3 ligases and novel substrates to promote substrate degradation, thereby facilitating the inhibition of traditionally undruggable protein targets. However, most known molecular glues have been discovered fortuitously or are based on well-established chemical scaffolds. Efficient approaches for discovering and characterising the effects of molecular glues on protein interactions are required to accelerate the discovery of novel agents. Here, we demonstrate that native mass spectrometry and mass photometry can provide unique insights into the physical mechanism of molecular glues, revealing previously unknown effects of such small molecules on the oligomeric organization of E3 ligases. When compared to well-established solution phase assays, native mass spectrometry provides accurate quantitative descriptions of molecular glue potency and efficacy while also enabling the binding specificity of E3 ligases to be determined in a single, rapid measurement. Such mechanistic insights should accelerate the rational development of molecular glues to afford powerful therapeutic agents.
A solid-phase compatible silane-based cleavable linker enables custom isobaric quantitative chemoproteomics
Authors: Burton Nikolas , Polasky Daniel , Shikwanna Flowreen , Ofori Samuel , Yan Tianyang , Geiszler Daniel , da Veiga Leprevost Felipe , Nesvizhskii Alexey , Backus Keriann
Published: March 2023

The human proteome harbors tens of thousands of ligandable or potentially druggable cysteine residues. Consequently, pinpointing the optimal covalent molecule for each cysteine residue represents an exciting means to close the druggability gap, namely the ~96% of human proteins not yet targeted by an FDA approved drug. Realizing the full therapeutic potential of the cysteineome will require comprehensive proteome-wide cysteine-compound structure activity relationship (SAR) analysis. While mass spectrometry-based chemoproteomic platforms have made significant inroads into this challenge, realizing comprehensive cysteine-SAR necessitates technical innovation in two key areas: (1) streamlined sample preparation workflows and (2) high throughput and high coverage data acquisition. Here we report the silane-based Cleavable Linkers for Isotopically-labeled Proteomics (sCLIP) method. sCLIP streamlines sample preparation with unparalleled early-stage isobaric labeling and sample pooling, allowing for high coverage and increased sample throughput via customized low cost 6-plex sample multiplexing. The sCLIP method is distinguished by its unprecedented click-assembled isobaric tags, in which the reporter group is encoded in the sCLIP capture reagent and balancer in the pan cysteine-reactive probe. When paired with a custom FragPipe data analysis workflow and applied to cysteine-reactive fragment screens, sCLIP proteomics revealed established and unprecedented cysteine-ligand pairs, including those labeled by covalent-reversible electrophilic modalities.
Scanning transmission X-ray spectromicroscopy: a nanotool to probe hematite nanorods for solar water splitting
Authors: Stanescu Stefan , Stanescu Dana , Hitchcock Adam
Published: March 2023

We report a scanning transmission X-ray microscopy (STXM) study of hematite nanorods, prototypical photoanode used in solar water splitting. Hematite nanorods were obtained by hydrothermal growth from aqueous solutions using FeCl3 as precursor. Potentials for onset of water splitting are smaller using this synthesis method, compared to values reported for hematite photoanodes obtained by epitaxial growth. STXM revealed the presence of a hexahydrate iron chloride phase at the surface of the nanorods, which is linked to the low onset potential values. We detail the quantification approach that revealed the specific microstructure of individual hematite nanorods.
DrugEx: Deep Learning Models and Tools for Exploration of Drug-like Chemical Space
Authors: Sicho Martin , Luukkonen Sohvi , van den Maagdenberg Helle , Schoenmaker Linde , Béquignon Olivier , van Westen Gerard
Published: March 2023

The discovery of novel molecules with desirable properties is a classic challenge in medicinal chemistry. With the recent advancements of machine learning, there has been a surge of de novo drug design tools. However, few resources exist that are both user-friendly as well as easily customisable. In this application note, we present the new versatile open-source software package DrugEx for multi-objective reinforcement learning. This package contains the consolidated and redesigned scripts from the prior DrugEx papers including multiple generator architectures and a variety of scoring tools and multi-objective optimisation methods. It has a flexible application programming interface and can readily be used via the command line interface or the graphical user interface GenUI. The DrugEx package is publicly available at https://github.com/CDDLeiden/DrugEx
Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory
Authors: Mitra Abhishek , Hermes Matthew , Gagliardi Laura
Published: March 2023

We present a quantum embedding method for ground and excited states of extended systems that uses multiconfiguration pair-density functional theory (MC-PDFT) with densities provided by periodic density matrix embedding theory (pDMET). We compute local excitations in oxygen mono- and di-vacancies on a magnesium oxide (100) surface and find absolute deviations within 0.05 eV between pDMET using the MC-PDFT, denoted as pDME-PDFT, and the more expensive, non-embedded MC-PDFT approach. We further use pDME-PDFT to calculate local excitations in larger supercells for the mono-vacancy defect, for which the use of non-embedded MC-PDFT is prohibitively costly.
The problem of identification of religious sects in the Ukrainian province (on the example of the village of Komisarivka, Katerynoslav province)
Authors: Pototsky Vyacheslav
Published: March 2023

Purpose. The purpose of the article is to highlight the history of the emergence and spread of a religious sect in the village of Komisarivka of the Upper Dnipro district of the Katerynoslav province and to try to establish its religious affiliation based on characteristic features.

Research methodology. The methodological basis of the article is formed by the principles of historicism and objectivity, implemented by using several methods: general logical (analysis and synthesis), as well as classification, comparative, and periodization methods.

Scientific novelty. For the first time in domestic historiography, the microhistory of a separate religious community that arose in a rural province in the south of Ukraine at the end of the 19th century became the subject of a special scientific study. On the basis of missionary reports and reports of secular publicists, the role of the founders of the sect was considered, the circle of connections with related organizations was analyzed as well as peculiarities of the behavior of its members.

Conclusions. It was found out that the first preachers brought new teachings to their native Komisarivka from the Kherson province or from the North Caucasus region. The sect they created was very similar in character to the Khlysts sect. Its initial history is closely related to Stundism, however, certain features of the ceremonies strongly resembled the Khlysts’ ones. The sectarian community in the village of Komisarivka was an interesting symbiosis of Protestantism with popular mysticism, which was quite common among religious dissidents of the Katerynoslav province. However, this community was not part of any more extensive community and throughout its existence remained a completely autonomous unit.

The attitude of dignitaries of the Russian Orthodox Church and representatives of secular authorities towards the new religious organization was extremely negative. Various means of pressure were used against the sectarians. Despite this, the informal religious group in the village of Komisarivka for a long time remained one of the largest in the Upper Dnipro district.

Key words: Katerynoslav province, Komisarivka, late 19th century, interfaith relations,
Questionnaries about the famine as a source to a history of the Holodomor studies
Authors: Boriak Tetiana
Published: March 2023

Research aim: The article has a goal to figure out a connection between questionnaires about the famine of 1932–1933 in Ukraine and the state of development of the Holodomor studies.

Research methodology: historical-comparative method is used.

Scientific novelty: for the first time correlation of five full-text questionnaires about the famine on every of three stages of formation of massive of the Holodomor oral history sources (1933, 1980s and after 1991). The author for the first time makes a reconstruction of research perceptions about the reasons, course and scale of the famine, as well as analyzes their evolution.

Conclusions: the article analyzes questionanries created during three periods (from 1933 till mid of 2000s) that allows researching of evolution of the famine studies. The first questionnarie has become a reaction of the people of a free of communist ideology world. Because of the objective reasons (and escape to the West was made under a threat of shooting) they tries to put starvation into a Procrustean bed of collectivization, to find a logical explanation of the famine reasons, particularly in illnesses. The article demonstrates non-comprehension by them realities of everyday life of a Ukrainian countryside. Questionnaires elaborated in Canada and USA in 1980s, demonstrates much more higher level of understanding of the problem. Their authors actively involved theory of oral history, included question about personal data of a respondent, his family, education, social and property condition; a question about a peasant resistance appeared. One can see an attempt to figure out time frames of starvation. Comprehension of such events appeared as searches and confiscation of bread. Questionnaires prepared on a third period cover maximum wide spectrum of starving village problems. Appearance of a set of new questions indicates about development of knowledge about the Holоdomor. These questions fully reflect contemporary approaches to the processes, the whole set of which comprises the Holodomor of 1932–1933. To the contrary, questionnaire by a Russian historian V. Kondrashyn indicates different from Ukrainian famine essence of the Russian famine of 1930s.
Integrating 5S Principles as a Strategy for Improving Clothing Manufacture
Authors: Ramdass Kemlall , Pita Mothibeli
Published: March 2023

The supply chain in the clothing is continuously influenced by internal and external competition. The industrialisation of the industry continues to impact all stakeholders throughout the world. Competition is rife in terms of value-add, quality, delivery dates and cost. Many of the manufacturers continue to operate without any kind of strategy to improve current conditions. Market share is being transferred outside the boundaries of the country. The retail industry maintained its impetus in terms of supply to the ultimate customer but the sourcing of finished products moved towards the east primarily due to cost competitiveness. In order to improve the current status, 5S principles may be implemented as a competitive strategy. This simple re-organisation of the workplace would significantly improve ergonomics in its totality, thereby creating an environment that is conducive for productive machine operation. It may be used as a competitive strategy that would cultivate strength in manufacturing capabilities. This paper evaluates current paradigms and implements 5S principles as a means of improvement through a case study in one organisation. Data regarding certain aspects were gathered from 45 clothing manufactures in the Kwa-Zulu Natal area.