bluuebunny/crossref_metadata_2025 huggingface dataset:
SYNTHETIC BIOLOGY: METHODS, APPLICATIONS, AND THE ROLE OF INFORMATION SCIENCE
Authors: Archana G, Anushree Raj
Published: July 2023

Synthetic biology is the design and construction of novel proteins, genetic circuits, and metabolic networks using information from a variety of disciplines, including molecular biology, engineering, mathematics, and physics. In unicellular and multicellular systems, we are currently heading toward the construction of complex networks rather than the early development stages' goal of changing the behaviour of individual constituents. Synthetic biologists can be broadly divided into two groups, one of which seeks to produce artificial life using unnatural substances. Another instance involves taking replaceable components from biological systems and integrating them into systems that function in an artificial way. Innovative behaviours like biostability, oscillations, proteins for biosensing, and drug production have recently been developed. Biological principles and informatics are a commonly accepted combination to make processing more accurate and faster. In this paper we give a deeper insight into the synthetic biology methods, few of its applications and also the discussing various bioinformatics tools for synthetic biology.
A SURVEY ON RECENT OPTICAL CHARACTER RECOGNITION ALGORITHMS
Authors: Roshan D Suvaris, Dr. S Sathyanarayana
Published: July 2023

Identifying and Recognition of characters in the document, images etc. is a tedious and complicated task. Many procedures already have been implemented to identify the characters in these documents. In this research paper, we are reviewing some of the important methods used to identify handwritten and printed characters of various languages and different types of documents such as text documents, number plates, captcha, camera-based images, banners etc… The documents considered for recognition may contain clear backgrounds or may contain unclear backgrounds with ink bleed-through, noisy background, variable contrast etc, which makes character recognition a difficult task.
SPEECH RECOGNITION USING DEEP LEARNING
Authors: Shahir Abdulla, Vishwas N Anushree Raj
Published: July 2023

Speech is the way of communicating with others, by which we can understand each other’s thoughts and there fully. Speech recognition that's associate lay to rest disciplinary field of linguistics aids in developing technologies that empowers the recognition and translation of speech into text. The most crucial information is taken from a text source and adequately summarized by text summarization. In this we talked about the algorithm we used and how its implemented, step by step and Input as well output in the implementation and result section Text account extracts the utmost very important information from a provide that would be a text. In our paper we focus on processing the vocal data received from the microphone as input. Initially we process the voice information and extract only the necessary voice eliminating all the unnecessary or noise data. Finally, we convert the extracted voice data into the text format. We apply the deep learning concepts to make our model work efficiently. The output depends upon the quality of input received from the microphone.
Symmetrical peripheral gangrene in an atypical case of Plasmodium falciparum malaria with HIV coinfection
Authors: Swain Bishakha , Singh Saurabh Kumar , Singh Uday Raj
Published: July 2023

Malaria is a vector-borne tropical disease well known for causing a multitude of complications. One such rare but familiar complication is symmetrical peripheral gangrene (SPG). SPG is a distinct entity resulting from a horde of infectious and non-infectious illnesses. We report the case of a 32-year-old male infected with Plasmodium falciparum malaria and Human Immunodeficiency Virus who presented to us with renal failure and developed SPG of both feet 3 days into admission.
Impact of COVID-19 vaccination in patients with auto-immune diseases – A nationwide survey from 842 autoimmune patients
Authors: Muthu Sathish , Manohar Mithun , Selvaraj Preethi , Jeyaraman Naveen , Jeyaraman Madhan , Samagani Akshay , Bhardwaj Ravikant
Published: July 2023

Objectives:

To combat the Coronavirus Disease 2019 (COVID-19) pandemic, the World Health Organization announced the emergency license for the usage of COVID-19 vaccinations. Various literature postulated a few cross-talks between autoimmune disease and COVID-19 vaccination. The molecular mimicry between autoimmune diseases as well as autoimmune antibodies and the antibodies against Severe Acute Respiratory Syndrome Coronavirus-2 S proteins triggers the development of a severe form of autoimmune disease. The causal association between autoimmune disease and COVID-19 vaccinations is still under debate. Hence, in this study, we aim to analyze the impact of COVID-19 vaccination on patients with autoimmune diseases.

Material and Methods:

Patients were recruited from a nationwide survey throughout India from October 1, 2021, to December 30, 2021. All patients of autoimmune diseases enrolled in this study had received a diagnosis of COVID-19. A Google form was created in the English language with relevant items, including demographic variables, COVID-19 vaccination-related variables, and its impact on autoimmune disease. Association between the COVID-19 severity, vaccination status, and autoimmune disease status was analyzed.

Results:

Eight hundred and forty-two patients with autoimmune disease participated in the study with 86% of vaccination rate. We noted comparable infection rates among vaccinated (37.5%, n = 272) and non-vaccinated (33.3%, n = 39) respondents with autoimmune disease (P = 0.38). Although 22.5% (n = 163) of patients with autoimmune disease demonstrated deterioration following vaccination, 75.3% (n = 546) of patients did not show any change in disease profile. We noted a significant increase in the computed tomography (CT) severity score of COVID-19 infection among non-vaccinated individuals (odds ratio = 1.1,95% confidence interval [0.29, 2.29], P < 0.001). Moreover, we also noted a significant increase in the need (P = 0.01) and length of hospitalization (P < 0.001) among COVID-19 non-vaccinated individuals. We also noted vaccination significantly prevented an acute flare-up of auto-immune disease when infected with COVID-19 (P < 0.001).

Conclusion:

Although vaccination did not affect the incidence of disease among patients with auto-immune disease, it did significantly decrease the CT severity score, hospitalization rate, and length of stay following COVID-19 infection. Moreover, vaccination also prevented acute flare-ups of autoimmune disease following COVID-19 infection.
Spontaneous closure of a superior sagittal sinus dural arteriovenous fistula with an extensive angioarchitectural network: A case report and systematic review of the literature
Authors: Kovacevic Jasmina , Silva Michael Alexander , Chang Henry , Valdez Mynor Josue Mendez , Ramsay Ian , Ezeh Uche C. , Corona Andres M. , Abdelsalam Ahmed , Starke Robert M.
Published: July 2023

Background:

Intracranial dural arteriovenous fistulas (DAVFs) have been documented to occasionally spontaneously regress. However, the mechanism responsible for this occurrence remains speculative.

Methods:

We present a case of a Borden II – Cognard IIa+b DAVF involving the superior sagittal sinus (SSS) with bilateral external carotid artery supply that regressed spontaneously. A systematic literature review was conducted to explore the current theories explaining the spontaneous regression of DAVFs according to Preferred Reporting Items for Systematic reviews and Meta-Analyses guidelines.

Results:

A total of 26 studies and 54 cases were included in our results. Of the included cases, 57.14% of cases were Borden I, 16.33% were Borden II, and 26.53% were Borden III. Ruptured status or intracranial hemorrhage was documented in 24.1% of all cases, the majority of which (69.2%) were in cases with aggressive lesions (Borden II or greater). The most commonly involved location was the transverse sinus (38.89% of cases, n = 21), and the SSS was only involved in 12.96% of all cases. 50% of included cases proposed a mechanism responsible for spontaneous regression. The most frequently proposed mechanisms were thrombosis of the involved sinus/chronic inflammatory changes or direct endothelial injury, endoluminal stasis, and thrombogenic effects of contrast medium during angiography. We present the case of a 54-year-old woman with an aggressive ruptured DAVF that likely developed following a pediatric traumatic brain injury that was left untreated before she presented to our institution after significant delay. Her DAVF regressed on repeat angiography before neurovascular intervention without a clear identifying mechanism as proposed by the current literature.

Conclusion:

Our results suggest that spontaneous regression is not necessarily associated with lower risk DAVFs. The present case offers a unique long-term insight into the natural history of an aggressive ruptured DAVF of the SSS that regressed without intervention. Further research into the natural history of DAVFs will be helpful in deducing key factors leading to spontaneous regression.
Efficacy of continuous electroencephalogram for the management of altered mental status in the neurosurgical intensive care unit
Authors: Ohene-Adjei Michael , Begley Sabrina Leone , Temes Richard , Schulder Michael
Published: July 2023

Background:

Continuous electroencephalograms (cEEGs) are often used in the neurosurgical intensive care unit (NSICU) to detect subclinical seizures (SCSs) in patients with altered mental status (AMS). This retrospective study evaluated the efficacy of this approach for improving patient outcomes.

Methods:

We reviewed the records of 100 patients admitted to the NSICU between 2015 and 2020 who underwent continous electroencephalograms (cEEG) during workup of unexplained AMS. Patient outcomes were classified as positive (discharged), neutral (transfer of care), or negative (dead). Incidence of SCSs on cEEG and association with patient outcomes was analyzed with Chi-square analysis and relative risk (RR).

Results:

For the 99 included patients, median age was 62 years and 43% were female. About 15.2% had a known or newly diagnosed brain tumor. Outcomes were positive in 22 patients, neutral in four, and negative in 73. SCSs were detected in 15 patients, of whom 12 died, two were discharged, and one whose care was transferred. Chi-square association between SCS and outcome (P= 0.59) and RR of death associated with SCS diagnosis (1.1) was not significant.

Conclusion:

We found a lower incidence of SCSs (15.2%) than reported in the literature. In the absence of clinically evident seizures, continous cEEGs performed in the NSICU to determine the etiology of AMS did not yield an improvement in patient outcomes, and patients diagnosed and treated for SCS did not have statistically decreased risk of death. In summary, electroencephalogram monitoring for SCS is important but should not delay diagnosis and treatment of other, potentially life-threating etiologies of AMS.
ALAKUL CULTURE CHRONOLOGY (NEW MATERIALS FOR DISCUSSION)
Authors: Епимахов А.В.
Published: July 2023

Статья рассматривает проблемы радиоуглеродной хронологии одной из ключевых археологических культур андроновской общности позднего бронзового века. Целью работы является создание надежных оснований для алакульской хронологии на примере Южного Зауралья как ключевого региона становления традиций, зоны взаимодействия с другими культурами. Вводятся в оборот новые результаты датирования (могильник Алксандро-Невский-1), проведено статистическое обобщение датировок последних лет, сравнение хронологии лесостепных и степных алакульских памятников. В статье использованы только AMS-даты (34), полученные из надежного контекста. Материал для анализа: кости человека (18), животных (11) и дерево (5). Обобщение серии позволило сформировать границы интервала – XIX–XVI вв. до н. э. Сравнение локальных вариантов культуры зафиксировало хронологический приоритет степных памятников. Ранняя часть алакульских дат близка датам петровской культуры, а федоровский интервал моложе алакульского при наличии большого периода сосуществования.

The paper reviews issues related to radiocarbon chronology of one of the key archaeological cultures ascribed to the Andronovo entity of the Late Bronze Age. This study is intended to create reliable grounds for the Alakul chronology in a specific context 185 А. В. Епим ахов of the southern Trans-Urals as a key region where traditions emerged and contacts with other cultures were maintained. It introduces new dating results (Aleksandro-Nevsky-1 cemetery) in scientific discourse, provides statistical generalization of recent dates, and compares chronology of the forest-steppe and the steppe Alakul sites. The paper uses only AMS-dates (34) obtained from reliable contexts. The analyzed materials included human bones (18), animal bones (11) and wood (5). The generalization of the series put the interval within the range of 1900–1600 BC. The comparison of the local variants of the culture points to a chronological priority of the steppe sites. The earliest Alakul dates are close to the Petrovka culture dates whereas the Fedorovka interval is younger than the Alakul interval, though these cultures did coexist for a long time.
STUDYING THE ORIGIN OF SOME TRADITIONS OF MAKING SALTOVO-MAYATSK CULTURE VESSELS
Authors: Суханов Е.В.
Published: July 2023

Статья посвящена анализу форм столовых сосудов из раннесредневекового могильника Мокрая Балка и их сравнению с разными традициями создания форм столовой посуды, известными на памятниках салтово-маяцкой культуры Среднего Дона. Для этого используется методика, разработанная в рамках историко-культурного подхода к изучению керамики, которая ранее применялась для изучения форм сосудов салтово-маяцкой культуры. Результаты анализа позволили определить конкретные традиции изготовления салтовских кувшинов и кружек, проявляющие наибольшее сходство с традициями населения, хоронившего в Мокрой Балке, а также количественно оценить степень этого сходства. Вполне вероятно, что культурные истоки именно этих салтово-маяцких традиций связаны с раннесредневековым населением Кисловодской котловины, проживавшим в данном районе до переселения на Средний Дон.

This paper analyzes the shapes of table vessels from the early medieval cemetery of Mokraya Balka. The author compares these forms with the tableware forms of various traditions from the Saltovo-Mayatsk sites on the Middle Don. This analysis employs a methodology developed based on the historical and cultural approach to the studies of ceramics which was earlier used to examine the Saltovo-Mayatsk vessels. The analysis provided an opportunity to describe specific traditions of making Saltovo jugs and mugs which show the greatest similarities with the traditions of the people who buried their dead at Mokraya Balka as well as provide quantitative assessment of the degree of this similarity. It is quite likely that the cultural roots of these Saltovo-Mayatsk traditions are related to the early medieval population of the Kislovodsk Depression that had inhabited this region before it moved to the Middle Don region.
EXPERIMENTAL APPROACH TO THE STUDY OF VESSEL SHAPES IN WEST EUROPEAN ARCHAEOLOGY
Authors: Холошин П.Р.
Published: July 2023

Больше десяти лет международная группа исследователей-археологов и представителей смежных наук (Энора Гэндон, Валентина Ру, Тельма Койл, Рейнауд Ботсма и др.) активно развивают экспериментальное направление в изучении навыков труда гончаров в области придания сосудам определенной формы. Серии продуманных научных экспериментов с гончарами Франции, Индии, Непала и  Палестины позволили выяснить ряд важных особенностей ручного труда по вытягиванию сосудов на гончарном круге. Экспериментальная задача состояла преимущественно в воспроизведении гончарами-профессионалами привычных форм и форм-подражаний. Исследователи анализировали как формы готовых изделий, так и сами приемы работы гончаров. В результате удалось получить новые данные о величинах случайных колебаний при изготовлении разных форм в  разных условиях, особенностях адаптации трудовых навыков для решения новых задач, составе и  устойчивости отдельных трудовых операций, применяемых при вытягивании сосудов. Данные статья имеет своей целью ознакомить российского читателя с результатами этих исследований.

For more than ten years, an international group of researchers in archaeology and related sciences (Enora Gandon, Valentina Roux, elma Coyle, Reinoud Bootsma and others) have been actively developing an experimental trend in the study of potters’ work skills in giving vessels a certain shape. A series of elaborate scientic experiments involving potters from France, India, Nepal and Palestine allowed them to find out a number of important features of throwing vessels on a potter’s wheel. Experimental task was mainly the reproduction of familiar and unfamiliar shapes by professional potters. the researchers analyzed both the shapes of the tnished vessels and the potters’ motor skills. As a result, they obtained new data on the random variations when making different shapes under di¨erent conditions, the mechanism of adapting labor skills to perform new tasks, the composition and stability of individual sequences of gestures used for throwing vessels. This article aims at presenting the results of this research to the Russian reader.
EXPERIMENTAL POTTERY FIRING: BONFIRE AND PIT
Authors: Жущиховская И.С. , Лазина А.А.
Published: July 2023

Статья рассматривает материалы по экспериментальным костровым и ямным обжигам, проведенным в 2021 г. в Приморье. Основным результатом исследований стало определение температурной динамики четырех обжигов (№ 1–4) при помощи инструментальных измерений. Максимальная температура, полученная в костре – 815 °С, в яме – 860 °С. Костровые обжиги показали различия в температурных графиках, связанные с разными приемами работы с топливом. Фактором, влияющим на эффективность ямного обжига, является глубина ямы. Качество готовых изделий оказалось лучшим в костровом обжиге № 2 и ямном обжиге № 2. Этому способствовала правильная предобжиговая подготовка изделий и относительно длительная выдержка при температурах «каления» керамики.

The paper is presenting materials on the experimental pottery firings in the bonfire and pit conducted in 2021 in the Primorye region. Main research result is the determining of temperature profiles of four firings (N1–4) executed with the thermocouples. Maximum temperature in the bonfire was 8150С, and in the pit 8600С. The dfferences of temperature profiles in the bonfire firings were determined by dfferent ways of fuel arrangement. The ffectiveness of pit ring is inµuenced by the pit’s depth. The bonfire firing N2 and pit firing N2 produced the pottery of better quality. These results were caused by correct pre-firing preparation of the clay items and relatively sfficient soaking time at the temperatures of ceramics “red glowing.”
СТРУКТУРА И СВОЙСТВА СТАРЕЮЩЕГО СПЛАВА ПОСЛЕ ИОННОЙ ИМПЛАНТАЦИИ
Authors: Ахметжанов Б.К. , Плотников В.А. , Шевчук Е.П. , Жакиева А.Е. , Серимбекулы А.
Published: July 2023

Известно, что ионная имплантация является современным методом поверхностного легирования различных материалов и широко используется для повышения служебных свойств изделий, работающих в сильно агрессивных средах. Ионная имплантация может быть использована для обработки особо тонких конструкций упругих чувствительных элементов приборов теплотехнического контроля, для которых состояние поверхностного слоя является определяющим фактором, влияющим на метрологические характеристики и ресурс работы приборов. При обработки концентрированным потоком энергии одновременно осуществляется тепловое, радиационное и ударно-механическое воздействия. Развивающиеся при этом процессы перестройки структуры происходят в условиях, далеких от термодинамически равновесных и позволяют получать поверхностные слои с уникальным комплексом физико-механических свойств. В статье показаны изменения структуры и свойств дисперсионно-твердеющего сплава 36НХТЮ, имплантированного ионами Ti+, Ta+, N+. Установлено, что ионная имплантация приводит к формированию имплантированного слоя порядка 0,2-0,3 мкм. Имплантация ионами азота повышает циклическую стойкость сплава. Ионная имплантация Ti+, Ta+ позволяет резко увеличить коррозионную стойкость. Проведена оценка глубины проникновения и распределения ионов в сплаве. Имплантация ионами азота приводит к меньшей скорости накопления остаточной деформации, увеличивается циклопрочность, а колебательный характер Δɛост ~ lnN выражен значительно слабее. Кроме того, обнаружена дозовая зависимость степени накопления остаточной деформации.
ФАЗОВАЯ ДИАГРАММА СИЛЬНОВЗАИМОДЕЙСТВУЮЩИХ ЭЛЕКТРОН-ФОНОННЫХ СИСТЕМ С ВЫСОКОЙ ПЛОТНОСТЬЮ НОСИТЕЛЕЙ ЗАРЯДА
Authors: Доронкина С.В. , Арутюнян Р.Р. , Мясникова А.Э.
Published: July 2023

В данной работе исследуется фазовая диаграмма допирование-температура систем с сильным дальнодействующим (фрёлиховским) электрон-фононным взаимодействием с целью демонстрации единой природы фаз сверхпроводимости, зарядового упорядочения и псевдощели высокотемпературных сверхпроводников на основе оксида меди (купратов). Обычно фазы псевдощели и зарядового упорядочения купратов рассматривались как конкурирующие со сверхпроводящей фазой. Однако, результаты недавних экспериментальных исследований позволили сделать предположение о единой природе трех указанных фаз. В данной работе для проверки этого предположения была рассчитана свободная энергия двухжидкостной системы носителей заряда, включающей жидкость биполяронов большого радиуса и Ферми-жидкость делокализованных носителей. Фазовая диаграмма системы с сильным электрон-фононным взаимодействием строилась путем минимизации свободной энергии системы относительно радиуса биполяронов (связанного спериодом зарядового упорядочения). Сравнение полученной энергии со свободной энергией системы без биполяронов определяет температуру распада биполяронной жидкости. Для расчета свободной энергии использовалась функция распределения носителей заряда по автолокализованным и делокализованным состояниям, полученная методом Гиббса, для расчета температуры сверхтекучего (сверхпроводящего) перехода использовался стандартный метод Бозе-жидкости Ландау. В результате продемонстрировано, что фазы сверхпроводимости, зарядового упорядочения и псевдощели имеют общую природу, связанную с существованием жидкости биполяронов большого радиуса. Рассчитанное расположение областей, соответствующих этим фазам на фазовой диаграмме сильновзаимодействующих электрон-фононных систем, совпадает с положением этих фаз на экспериментальной диаграмме купратов.
ИССЛЕДОВАНИЕ ФАЗОВОГО СОСТАВА МОДЕЛЬНОГО ЦЕМЕНТИРОВАННОГО СЛОЯ ПО ГЛУБИНЕ ОБРАЗЦОВ ИЗ ЭЛЕКТРОТЕХНИЧЕСКОЙ СТАЛИ 10880
Authors: Суринский К.Д. , Нефедов С.А. , Носова Е.А. , Покоев А.В.
Published: July 2023

Многочисленные эксперименты по цементации проводятся, как правило, в рамках конкретной технологической задачи. В работе была поставлена задача проведения модельного эксперимента в рамках создания универсальной физической модели цементированного слоя. Проведена цементация электротехнической стали 10880 с исходным содержанием углерода не более 0,022 масс. % в твердом карбюризаторе при 930 °С с последующей закалкой в воду и медленным охлаждением. Был получен слой цементации глубиной до 800 мкм по данным оптической металлографии поперечного шлифа. Количественный рентгенофазовый анализ проводился с использованием двух различных характеристических излучений (Ag и Co), чтобы избежать наложения дифракционных линий в многофазном образце. Использован хорошо апробированный метод гомологических пар с присущими поставленной задаче ограничениями. В рамках методики сравнивались интегральные интенсивности линий (111) аустенита и (110) феррита. Анализ поперечного шлифа и рентгенофазовый анализ при последовательном удалении слоев 50-150 мкм закаленного материала показали, что фазовый состав характеризуется преобладанием доли мартенсита в приповерхностном слое, убыванием доли аустенита с ростом глубины. Абсолютный максимум доли аустенита наблюдается на глубине 100 км, локальный максимум на глубине 240 мкм. Объемная доля феррита с ростом глубины повышается. Кроме того, на образцах с медленным охлаждением значительна доля цементита, который в закаленных образцах не наблюдается. Доля цементита характеризуется абсолютным максимумом на глубине около 120 мкм.
Designing solvent systems in chemical processes using self-evolving solubility databases and graph neural networks
Authors: Kim Yeonjoon , Jung Hojin , Kumar Sabari , Paton Robert S. , Kim Seonah
Published: July 2023

Designing solvent systems is key to achieving the facile synthesis and separation of desired products from chemical processes, so many machine learning models have been developed to predict solubilities. However, breakthroughs are needed to address deficiencies in the model’s predictive accuracy and generalizability; this can be addressed by expanding and integrating experimental and computational solubility databases. To maximize predictive accuracy, these two databases should not be trained separately, and they should not be simply combined without reconciling the discrepancies from different magnitudes of errors and uncertainties. Here, we introduce self-evolving solubility databases and graph neural networks developed through semi-supervised self-training approaches. Solubilities from quantum-mechanical calculations are referred to during semi-supervised learning, but they are not directly added to the experimental database. Dataset augmentation is performed from 11,637 experimental solubilities to >900,000 data points in the integrated database, while correcting for the discrepancies between experiment and computation. Our model was successfully applied to study solvent selection in organic reactions and separation processes. The accuracy (mean absolute error around 0.2 kcal/mol for the test set) is quantitatively useful in exploring Linear Free Energy Relationships between reaction rates and solvation free energies for 11 organic reactions. Our model also accurately predicted the partition coefficients of lignin-derived monomers and drug-like molecules. We anticipate this approach will be attractive to other areas of predictive chemistry where experimental, computational, and any other heterogeneous data sources should be combined.
Designing electrodes and electrolytes for batteries by leveraging deep learning
Authors: Sui Chenxi , Jiang Ziyang , Higueros Genesis , Carlson David , Hsu Po-Chun
Published: July 2023

High-performance batteries are poised for electrification of vehicles and therefore mitigate greenhouse gas emissions, which, in turn, promote a sustainable future. However, the design of optimized batteries is challenging due to the nonlinear governing physics and electrochemistry. Recent advancements have demonstrated the potential of deep learning techniques in efficiently designing batteries, particularly in optimizing electrodes and electrolytes. This review provides comprehensive concepts and principles of deep learning and its application in solving battery-related electrochemical problems, which bridges the gap between artificial intelligence and electrochemistry. We also examine the potential challenges and opportunities associated with different deep learning approaches, tailoring them to specific battery requirements. Ultimately, we aim to inspire future advancements in both fundamental scientific understanding and practical engineering in the field of battery technology. Furthermore, we highlight the potential challenges and opportunities for different deep learning methods according to the specific battery demand to inspire future advancement in fundamental science and practical engineering.
Quantum Descriptors for Predicting and Understanding the Structure-Activity Relationships of Michael Acceptor Warheads
Authors: Liu Ruibin , Vazquez-Montelongo Erik , Ma Shuhua , Shen Jana
Published: July 2023

Predictive modeling and understanding chemical warhead reactivities have the potential to accelerate targeted covalent drug discovery. Recently, the carbanion formation free energies as well as other ground-state electronic properties from the den- sity functional theory (DFT) calculations have been proposed as predictors of glutathione reactivities of Michael acceptors; however, no clear consensus exists. By profiling the thiol-Michael reactions of a diverse set of singly- and doubly-activated olefins including several model warheads related to afatinib, here we reexamined the question of whether low-cost electronic properties can be used as predictors of reaction barriers. The electronic properties related to the carbanion intermediate were found to be strong predictors, e.g., the change in the Cβ charge accompanying carbanion formation. The least expensive reactant-only properties, the electrophilicity index and the Cβ charge also show strong rank correlations, suggesting their utility as quantum descriptors. A second objective of the work is to clarify the effect of the β-dimethylaminomethyl (DMAM) substitution which is incorporated in the warheads of several FDA-approved covalent drugs. Our data suggests that the beta-DMAM substitution is cationic at neutral pH in solution and it promotes acrylamide’s intrinsic reactivity by enhancing the charge accumulation at Calpha upon carbanion formation. In contrast, the inductive effect of the beta-trimethylaminomethyl substitution is diminished due to steric hindrance. Together, these results reconcile the current views of the intrinsic reactivities of acrylamides and contribute to large-scale predictive modeling and understanding of the structure-activity relationships of Michael acceptors for rational TCI design.
Self-Aligning Nanojunctions for Integrated Single-Molecule Circuits
Authors: Liu Bo , Demir Busra , Akin Gultakti Caglanaz , Marrs Jonathan , Oren Ersin Emre , Hihath Joshua
Published: July 2023

Robust, high-yield integration of nanoscale materials such as graphene nanoribbons, nanoparticles, or single-molecules with conventional electronic circuits has proven to be challenging. This difficulty arises because the contacts to these nanomaterials must be precisely fabricated with angstrom-level resolution to make reliable connections, and at manufacturing scales this cannot be achieved with even the highest-resolution lithographic tools. Here we introduce an approach that circumvents this issue by precisely synthesizing nanometer-scale gaps between metallic electrodes using a self-aligning, solution-phase process, which allows facile integration with conventional electronic systems with yields approaching 50%. The electrode separation is controlled by covalently binding metallic single-walled carbon nanotube (mCNT) electrodes to individual DNA duplexes to synthesize hybrid mCNT-DNA-mCNT nanojunctions, where the gap is precisely matched to the DNA length. Upon integration, the resulting single-molecule circuits have electronic properties dominated by the DNA in the junction, have reproducible conductance values with low dispersion, and are stable and robust enough to be utilized as active, high-specificity electronic biosensors for dynamic single-molecule detection of specific oligonucleotides, such as those related to the SARS-CoV-2 genome. This scalable approach for high-yield integration of nanometer-scale materials will create new opportunities for manufacturing hybrid electronic systems for a wide range of applications.
Peptidomimetic inhibitors of β-strand mediated protein-protein interactions: tuning binding affinity of intrinsically disordered sequences by covalent backbone modification
Authors: Cawood Emma , Baker Emily , Edwards Thomas , Woolfson Derek , Karamanos Theodoros , Andrew Wilson
Published: July 2023

A significant challenge for chemical biology is to develop methods that enable targeting of protein-protein interactions (PPIs). Given that many PPIs involve a folded protein domain and a peptide that is intrinsically disordered in isolation, peptides present potential starting points for designing PPI modulators. While multiple approaches to pre-organize α-helical motifs for enhancing affinity and other properties are available, β-strand-mediated interactions are much less explored. Using the interaction between small ubiquitin-like modifiers (SUMO) and SUMO-interacting motifs (SIMs), here we show that N-methylation of the peptide backbone can effectively restrict accessible peptide conformations, predisposing them for protein recognition. Backbone N-methylation in appropriate locations results in faster target binding, and thus higher affinity, as shown by fluorescence anisotropy, relaxation-based NMR experiments, and computational analysis. We show that such higher affinities occur as a consequence of an increase in the energy of the unbound state, and a reduction in the entropic contribution to the binding and activation energies. This offers a new paradigm for developing peptide-based PPI modulators.
Pore-networked membrane for trace-level molecular separations in environmental water
Authors: Wang Zaoming , Pacheco-Fernández Idaira , Carpenter James E. , Aoyama Takuma , Huang Guoji , Isfahani Ali Pournaghshband , Ghalei Behnam , Sivaniah Easan , Urayama Kenji , Colón Yamil. J. , Furukawa Shuhei
Published: July 2023

The wide presence of pharmaceuticals and personal care products (PPCPs) in water is a major concern regarding current emerging pollution and urges their selective monitoring to establish water quality management. Microporous materials have been developed to extract organic contaminants and further embedded as fillers into polymeric composites like matrix-mixed membranes (MMMs) for practical use. Considering the relatively large molecular size of PPCPs and their slow diffusion in the membrane, the MMM configuration is, however, inadequate for liquid-phase separations. Here we report pore-networked membranes (PNMs) based on the concept of interconnecting the microporous fillers within the polymer matrix to form a continuous porous phase. Linked metal-organic polyhedra (MOP) network is designed for the continuous porous phase with tunable micro/mesopores, which are accessible for big PPCP molecules to facilitate their diffusion and adsorption. By contrast to MMMs, PNMs show enhanced stability, capacity and extraction selectivity towards specific pharmaceutical drugs amongst 13 PPCPs in environmental water matrices at trace-level concentrations.
Las libertades que olvidamos de las personas adultas mayores
Authors: Cayotopa Luna Edward
Published: July 2023

El artículo expone el desarrollo del principio de igualdad desde su dimensión material en base a lo expuesto por Robert Alexy. De este modo, precisa que en situaciones donde no se trata de forma igual a las personas, se generan los conceptos conocidos como “ajustes razonables” y “discriminación por indiferenciación”. Este último (discriminación por indiferenciación) supone una discriminación legal por parte del legislador quien al regular un determinado ámbito no previó las particularidades de algunos sujetos, en materia de este artículo, los adultos mayores. Así, para exponer la problemática, se citan diversos casos emblemáticos y se compara el tratamiento que reciben los derechos de las personas mayores en la “Carta de San José sobre los Derechos de las Personas Mayores de América Latina y el Caribe” (que prohíbe la discriminación legal que limite el acceso a satisfacer diversas necesidades mínimas) y en la “Carta de los derechos fundamentales de la Unión Europea” (que pone énfasis en garantizar la autodeterminación sin interferencia). Finalmente, el artículo da cuenta que el Tribunal Constitucional del Perú ha perdido numerosas oportunidades para evaluar las libertades de las personas adultas mayores pues no ha favorecido la autodeterminación de dicho grupo social.
Entrevista: Las vacunas y el derecho a la salud
Authors: Bermúdez Valdivia Violeta
Published: July 2023

En la presente entrevista, la autora analiza la tutela del derecho a la salud y la lucha contra la pandemia, desde dentro del Gobierno de Transición y Emergencia del Presidente Sagasti. Además, desarrolla la historia de éxito de cómo el Perú pasó de no tener vacunas aseguradas a vacunar al personal de salud, de las Fuerzas Armadas y Policiales; así como a los adultos mayores y asegurar vacunas para todos los peruanos. También, reflexiona sobre el impacto de la pandemia en el derecho a la salud de los peruanos, así como las principales medidas sanitarias que se adoptaron desde el gobierno y la cooperación de otros sectores de la sociedad
B-cell targeting with anti-CD38 daratumumab: implications for differentiation and memory responses
Authors: Verhoeven Dorit , Grinwis Lucas , Marsman Casper , Jansen Machiel H ,   T2B Consortium, Van Leeuwen Ester MM , Kuijpers Taco W
Published: July 2023

B cell–targeted therapies, such as CD20-targeting mAbs, deplete B cells but do not target the autoantibody-producing plasma cells (PCs). PC-targeting therapies such as daratumumab (anti-CD38) form an attractive approach to treat PC-mediated diseases. CD38 possesses enzymatic and receptor capabilities, which may impact a range of cellular processes including proliferation and differentiation. However, very little is known whether and how CD38 targeting affects B-cell differentiation, in particular for humans beyond cancer settings. Using in-depth in vitro B-cell differentiation assays and signaling pathway analysis, we show that CD38 targeting with daratumumab demonstrated a significant decrease in proliferation, differentiation, and IgG production upon T cell–dependent B-cell stimulation. We found no effect on T-cell activation or proliferation. Furthermore, we demonstrate that daratumumab attenuated the activation of NF-κB in B cells and the transcription of NF-κB–targeted genes. When culturing sorted B-cell subsets with daratumumab, the switched memory B-cell subset was primarily affected. Overall, these in vitro data elucidate novel non-depleting mechanisms by which daratumumab can disturb humoral immune responses. Affecting memory B cells, daratumumab may be used as a therapeutic approach in B cell–mediated diseases other than the currently targeted malignancies.
Being a hospice social worker: A multiple case study on hospice social work in China
Authors:   , Cheng Zihang
Published: July 2023

This thesis focuses on the ways Chinese hospice social workers make sense of the situations around them to decide on interventions. Case study methodology was applied to capture the contextual conditions of hospice social workers’ daily practice. Data was collected in three hospice units located in the eastern, central, and western regions of China. A total of 36 interviews were conducted with three social workers, three doctors, three nurses, and six clients. Four observations were conducted of the social workers undertaking groupwork sessions. Relevant documents such as case reports and groupwork plans were gathered. Data analysis results indicate that social workers live in an unsupportive working environment where they experience dysfunctional feelings and develop defence strategies to respond in day-to-day practice. A variety of approaches are identified, through which social workers form their identities towards clients. It is recommended that for social workers to gain recognition from their clients, an important element needed is congruence between outward expressions and internal good feelings they have for clients.

The Chinese indigenous concepts of guanxi and renqing are used to examine the way in which participants justify their professional authority that is supposed to be conferred by institutional disciplines. Classical debates regarding guanxi, renqing, and face in both Chinese and Western scholarship are reviewed. Based on the empirical data and sociopsychological perspectives, theoretical formulations relating guanxi, renqing, and face are generated. Drawing mainly on Fei’s differential mode of association and Simmel’s inquiries on social forms and social boundaries, guanxi is explained as an ego-centric configuration of interpersonal relationships. Insights regarding Liang’s moral reasoning and the psychological development of an individual’s self in attachment theory contribute to the understanding of renqing that is a common interest underlying the formation of guanxi. The major theoretical and philosophical influence on the interpretation of face, which symbolises individuals’ identities recognised by related others, is Honneth’s tripartite conceptualisation of recognition.

This thesis concludes that the cultural resilience of guanxi allows it to soften the dehumanisation in the social worker-client relationship driven by managerialism in professionalisation. As long as guanxi remains effective in meeting people’s needs and obtaining expected outcomes in their everyday encounters, it will not be and therefore should not be effaced as the professionalisation of social work in China progresses. Drawing on findings from this research, it is suggested that there is an urgent need for Chinese social work scholars to undertake quality practice-based research. Empirical materials require a thorough and critical examination incorporated with existing theoretical sources, through which knowledge can be generated to nourish and enlighten practice and education.
Advanced NMR methods and applications: diffusion, velocimetry and relaxation
Authors:   , Wang Jie
Published: July 2023

Since nuclear magnetic resonance (NMR) was developed, it has been widely applied in various areas, especially in chemistry, biology, medical imaging etc. It is also a very important method in the petrol industry, food science, material science etc. Nevertheless, the new and advanced NMR methodologies and their potential applications are still under exploration. In this thesis, we further developed the application of NMR in ultra-slow measurements of underground plant roots and the dynamics of fluids in nano-scale pores.

As to the ultra-slow flow measurements, a composited pulse sequence was developed to fast scan 3D water flow in plants, during which the effect of plant growth was minimized. In addition, a mathematical model was also explored to quantify the detection limit for fluid displacements and their uncertainty. By this method, an ultra-slow counter-flow of approximately 8 μm/s was spatially resolved in the xylem and phloem of bean seedling roots. This work provides strong evidence of the capability of pulsed-field gradient (PFG) NMR to capture flow less than the diffusion rates. It also lays a foundation for the study of metabolic dynamics in the roots of plants in vivo.

The mobility of molecules confined in nano-scale pores is greatly reduced because of strong host-guest interactions, resulting in very short T2 and thus poor spectral resolution. The short T2 also limits the duration of applied pulsed field gradients, reducing the sensitivity of diffusion NMR for molecules with low mobility. Therefore, the magic angle spinning (MAS) method was applied to elongate T2 by averaging the dominant dipole-dipole interaction and improve spectral resolution. Combined with MAS, many common pulse sequences can also be applied, providing a range of experiments for the study of molecular dynamics. In this thesis, the spectrally resolved dynamics of ionic liquid in carbon black (CB) were obtained, revealing the ionic liquid’s different environments. As to the dynamics of benzene and hexane inside the Metal-Organic-Framework(MOF) NU-1000 MOF, combining with pulse sequences, such as PFG NMR, inversion recovery (IR) and diffusion-diffusion exchange spectroscopy (DEXSY) pulse sequence etc, were successfully implemented. Experimental results suggest fast exchange between absorbed and bulk benzene molecules. Furthermore, no preferential adsorption sites for molecules in MOF NU-1000 have been found. These findings are essential for further design and tailoring of MOF structures.
PREVALENSI LUARAN MATERNAL DAN PERINATAL PADA KASUS PERSALINAN DENGAN PREEKLAMPSIA DI RS PKU MUHAMMADIYAH GOMBONG
Authors: Mustofa Dessi Irwanti , Astuti Dyah Puji , Novyriana Eka
Published: July 2023

Latar belakang: Preeklampsia memiliki dampak negatif yang sangat besar pada derajat kesehatan ibu dan perinatal, terutama di negara berkembang. Penyakit ini adalah penyebab utama hampir sepertiga dari satu juta kematian ibu di negara negara berkembang dan merupakan penyumbang proporsi besar lebih dari enam juta kematian perinatal, sekitar delapan juta kelahiran prematur dan hampir dua puluh juta bayi berat lahir rendah. Tujuan : Untuk Mengetahui Gambaran Luaran Maternal dan Perinatal pada Persalinan dengan Preeklampsia Rumah Sakit PKU Muhammadiyah Gombong.Metode: Jenis penelitian yang digunakan pada penelitian ini adalah deskriptif menggunakan pendekatan retrospektif. Besar sampel dalam penelitian ini sebanyak 132 responden dengan menggunakan teknik total sampling. Analisis dalam penelitian ini hanya menggunakan analisis univariate.Hasil:. Hasil uji univariat menghasilkan Luaran maternal pada persalinan dengan preeklampsia di Rumah Sakit PKU Muhammadiyah Gombong sebagian besar mengalami Sindrom HELLP yaitu sebanyak 54 responden (40.9%). Luaran perinatal pada persalinan dengan preeklampsia di Rumah Sakit PKU Muhammadiyah Gombong sebagian besar mengalami BBLR yaitu sebanyak 46 responden (34.8%)Kesimpulan : Sindrom HELLP dan BBLR merupakan luaran maternal dan luaran perinatal terbanyak pada kasus persalinan dengan preeklampsia di RS PKU Muhammadiyah GombongKata kunci : preeklampsia, luaran maternal, luaran perinatal
PENGARUH RELAKSASI BENSON TERHADAP PENURUNAN KECEMASAN PADA PASIEN AKUT MIOKARD INFARK (AMI) AKUT DI RUMAH SAKIT Hj. ANNA LASMANAH BANJARNEGARA
Authors: Setia Aji Tatang Kurniawan , Siwi Adiratna Sekar , Wirakhmi Ikit Netra
Published: July 2023

Background: Acute Myocardial Infarction (AMI) is a life threatening condition due to the onset of chest pain, collapse and sudden death. The success of AMI treatment is very dependent on time, AMI also causes psychological problems in the form of anxiety. This study aims to determinethe effect of Benson's relaxation on reducing anxiety in patients with Acute Myocardial Infarction (AMI) at RSUD Hj. Anna Lasmanah Banjarnegara. Methods: The design of this study used an analytic correlation design with a cross sectional approach. By using pre and post test approach without control. The number of samples was 30 respondents. This study used the Hamilton Rating Scale for Anxiety (HRS-A) questionnaire in measuring anxiety. After measuring the patient's anxiety, benson relaxation was given and then the level of anxiety was measured again. Results: Prior to the Benson relaxation, the most respondents with severe anxiety were 14 respondents (46.7%). After the Benson relaxation, the respondents experienced a decrease in anxiety with a moderate category of 20 respondents (66.7%).Conclusion: The results showed that there was an effect of Benson relaxation on reducing anxiety in AMI patients at Hj. Anna Lasmanah Banjarnegara with p-value 0.00 (<0.05).
PENGARUH EUCALYPTUS PATCH TERHADAP BERSIHAN JALAN NAFAS PENDERITA ISPA PADA KARYAWAN GARMENT
Authors: Mustain Mukhamad , Maksum Maksum , Wulansari Wulansari
Published: July 2023

Infeksi saluran pernapasan akut (ISPA) adalah penyakit saluran pernapasan atas atau bawah dengan gejala umum yaitu batuk, terasa tidak nyaman pada saluran hidung, demam ringan, lendir berlebih, hidung tersumbat, pilek, bersin dan menimbulkan masalah bersihan jalan nafas tidak efektif. Pemberian minyak kayu putih berupa eucalyptus patch/ tempel merupakan terobosan baru yang praktis dan diharapkan mampu mengatasi masalah bersihan jalan nafas. Penelitian ini bertujuan untuk mengetahui pengaruh eucalyptus patch terhadap bersihan jalan nafas penderita ISPA. Jenis penelitian eksperimen dengan menggunakan pendekatan one group pretest posttest design. Populasi adalah karyawan PT Morich yang terdiagnosa ISPA dengan jumlah sampel 15 orang yang dipilih dengan consecutive sampling. Hasil penelitian didapatkan nilai sig (2-tailed) dengan hasil 0.001 yang berarti eucalyptus patch berpengaruh terhadap bersihan jalan nafas pada penderita ISPA