cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Repurposing FDA-approved drugs as NLRP3 inhibitors against inflammatory diseases: machine learning and molecular simulation approaches
Creators: name: Agarwal, Vipul
name: Haldhar, Rajesh
name: Hirad, Abdurahman Hajinur
name: Ahmed, Bilal
name: Han, Sang Beom
name: Gupta, Anugya
name: Raj, Vinit
name: Lee, Sangkil
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Cancer

description: Activation of NLRP3 (NOD-like receptor family, pyrin domain-containing protein 3) has been associated with multiple chronic pathologies, including diabetes, atherosclerosis, and rheumatoid arthritis. Moreover, histone deacetylases (HDACs), specifically HDAC6 is required for the NLRP3 inflammasome to assemble and activate. Thus, NLRP3 serves as an attractive target for the development of novel therapeutic approaches. Several companies are now attempting to develop specific modulators of the NLRP3 inflammasome, but only a handful of small molecules of NLRP3 inflammasome inhibitors, such as MCC950 and Tranilast, are currently available for clinical use. However, their use is limited due to severe side effects and short half-lives. Thus, the repurposing of FDA-approved drugs with NLRP3 inhibitory activity is needed. The present study was aimed at repurposing preexisting drugs that might act as safe and effective NLRP3 inhibitors. A library of 2,697 FDA-approved drugs was screened for binding with NLRP3 (PDB: 7ALV) using Glide (Schrödinger). The top seven FDA-approved drugs with potential binding affinities were selected based on docking scores and subjected to ADMET profiling using pkCSM and SwissADME. The binding of the ADMET-favorable FDA-approved drugs to NLRP3 was validated using MMGBSA (Prime) and Molecular Dynamics (Desmond) in the Schrödinger suite. ADMET profiling revealed that of the seven best docking drugs, empagliflozin and citicoline had good drug-likeness properties. Moreover, MMGBSA analysis and molecular dynamics demonstrated that empagliflozin and citicoline exhibited stable ligand-NLRP3 interactions in the presence of solvents. This study sheds light on the ability of various FDA-approved drugs to act as NLRP3 inhibitors.
Relationship Between Ownership Concentration and Firm Leverage in The Case of Thai Listed Firms
Creators: name: Jira Yammeesri
Publisher: name: University of the Thai Chamber of Commerce
Year: 2024
Subjects: Ownership Concentration
Leverage
Independent Directors
Profitability
Liquidity
Firm Size
Firm Age

description: Journal of Family Business and Management Studies, 16, 2, 39-54
Glocal Advertising: Examining The Interplay of Culture and Subscribers' Perception of Telecoms' Television Commercial in South-West, Nigeria
Creators: name: Olajide, Jonathan
Publisher: name: University of the Thai Chamber of Commerce
Year: 2024
Subjects: Glocal advertising
Culture
Consumers' perception
Glocalization
Television Commercials
Telecommunications

description: Journal of Family Business and Management Studies, 16, 2, 55-72
sj-docx-2-msj-10.1177_13524585211053155 – Supplemental material for A higher burden of multiple sclerosis genetic risk confers an earlier onset
Creators: name: Misicka, Elina
name: Davis, Mary F
name: Kim, Woori
name: Brugger, Steven W
name: Beales, Jeremy
name: Loomis, Stephanie
name: Bronson, Paola G
name: Briggs, Farren BS
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110904 Neurology and Neuromuscular Diseases
subject: FOS: Clinical medicine
subject: 111702 Aged Health Care
subject: FOS: Health sciences

description: Supplemental material, sj-docx-2-msj-10.1177_13524585211053155 for A higher burden of multiple sclerosis genetic risk confers an earlier onset by Elina Misicka, Mary F Davis, Woori Kim, Steven W Brugger, Jeremy Beales, Stephanie Loomis, Paola G Bronson and Farren BS Briggs in Multiple Sclerosis Journal
QM/MM investigation of the discriminatory pre-transfer editing mechanism operated by Lysyl-tRNA synthetase
Creators: name: Ion, Bogdan F.
name: Aboelnga, Mohamed M.
name: Gauld, James W.
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Molecular Biology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified

description: Aminoacyl-tRNA synthetases (aaRSs) are essential enzymes that remarkable facilitate the aminoacylation process during translation. With a high fidelity, the mischarged tRNA is prevented through implementing pre- and post-transfer proofreading mechanisms. For instance, Lysine-tRNA synthetase charges the native substrate, lysine, to its cognate tRNA. In spite of the great structural similarity between lysine to the noncognate and toxic ornithine, with the side chain of lysine being only one methylene group longer, LysRS is able to achieve this discrimination with a high efficiency. In this work, the hybrid quantum mechanics/molecular mechanics (QM/MM) investigation was applied to probe the pre-transfer editing mechanism catalyzed by lysyl-tRNA synthetase to reject the noncognte aminoacyl, L-ornityl (Orn), compared to the cognate substrate, L-lysyl. Particularly, the self-cyclization pre-transfer editing mechanism was explored for the two substrates. The substrate-assisted self-cyclization editing of Orn-AMP, where its phosphate moiety acts as the catalytic base, is found to be the rate-determining step with an energy barrier of 101.2 kJ mol−1. Meanwhile, the corresponding rate-limiting pathway for the native Lys-AMP lies at 140.2 kJ mol−1. This observation clearly indicated the infeasibility of this catalytic scenario in the presence of the native substrate. Interestingly, a thermodynamically favorable cyclic product of −92.9 kJ mol−1 with respect to the aminoacyl reactant complex demonstrated evidence of a successful pre-transfer editing. This reaction resulted in the discharge of the on-cognate -ornithine derivative from LysU’s active site. These valuable mechanistic insights are valuable to enrich our knowledge of this extremely efficient and specific catalytic machinery of LysRS.
Additional file 4: Figure S4. of Targeting the CXCR4 pathway using a novel anti-CXCR4 IgG1 antibody (PF-06747143) in chronic lymphocytic leukemia
Creators: name: Kashyap, Manoj
name: Amaya-Chanaga, Carlos
name: Kumar, Deepak
name: Simmons, Brett
name: Huser, Nanni
name: Gu, Yin
name: Hallin, Max
name: Lindquist, Kevin
name: Rolla Yafawi
name: Choi, Michael
name: Ale-Ali Amine
name: Rassenti, Laura
name: Zhang, Cathy
name: Liu, Shu-Hui
name: Smeal, Tod
name: Fantin, Valeria
name: Kipps, Thomas
name: Pernasetti, Flavia
name: Januario Castro
Publisher: name: Figshare
Year: 2017
Subjects: subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Immunology
subject: FOS: Clinical medicine
subject: Developmental Biology
subject: Cancer
subject: Hematology
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology
subject: Virology

description: m15-IgG1 and m15-IgG4 have similar cell death activity in HR and LR CLL patients, in presence or absence of stromal cells. The primary CLL-B cells derived from CLL patients were incubated either alone (n = 4) or co-cultured with stroma-NK-tert cells (n = 4) and treated with vehicle, m15-IgG1, m15-IgG4, IgG1 control antibody, or IgG4 control antibody for 48 h. Cell death was measured using CD19/CD5/Annexin V staining followed by flow cytometry analysis. The data is presented as % specific induced cell death (% SICD). The data shown is derived from two high-risk (HR) and two low-risk (LR) CLL patients. The HR patients are presented with solid symbols (•) and LR patients denoted with hollow symbols (○). The individual data points for each group are shown. The horizontal lines represent the mean for each group. Statistical comparisons were performed using Bonferroni’s correction test. (PDF 1032 kb)
sj-pdf-1-vdi-10.1177_10406387211054826 – Supplemental material for Feline sarcomatoid renal cell carcinoma with peritoneal carcinomatosis and effusion
Creators: name: Wu, BinXi
name: Kastl, Brandy
name: Cino-Ozuna, Ada G.
name: Springer, Nora L.
name: Thakkar, Ravindra
name: Biller, David
name: Whitehouse, William
name: Easterwood, Loren
name: Nguyen, Thu Annelise
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: FOS: Clinical medicine
subject: 70706 Veterinary Medicine
subject: FOS: Veterinary sciences

description: Supplemental material, sj-pdf-1-vdi-10.1177_10406387211054826 for Feline sarcomatoid renal cell carcinoma with peritoneal carcinomatosis and effusion by BinXi Wu, Brandy Kastl, Ada G. Cino-Ozuna, Nora L. Springer, Ravindra Thakkar, David Biller, William Whitehouse, Loren Easterwood and Thu Annelise Nguyen in Journal of Veterinary Diagnostic Investigation
Additional file 1 of Development and validation of the Cannabis Exposure in Pregnancy Tool (CEPT): a mixed methods study
Creators: name: Chaput, Kathleen H.
name: McMorris, Carly A.
name: Metcalfe, Amy
name: Ringham, Catherine
name: McNeil, Deborah
name: Konschuh, Shaelen
name: Sycuro, Laura J.
name: McDonald, Sheila W.
Publisher: name: figshare
Year: 2024
Subjects: subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Neuroscience
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: Science Policy
subject: Mental Health

description: Supplementary Material 1.
Additional file 2 of Development and validation of the Cannabis Exposure in Pregnancy Tool (CEPT): a mixed methods study
Creators: name: Chaput, Kathleen H.
name: McMorris, Carly A.
name: Metcalfe, Amy
name: Ringham, Catherine
name: McNeil, Deborah
name: Konschuh, Shaelen
name: Sycuro, Laura J.
name: McDonald, Sheila W.
Publisher: name: figshare
Year: 2024
Subjects: subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Neuroscience
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: Science Policy
subject: Mental Health

description: Supplementary Material 2.
Screening and unveiling antibacterial mechanism of dandelion phenolic extracts against Staphylococcus aureus by inhibiting intracellular Na+–K+ ATPase based on molecular docking and molecular dynamics simulation
Creators: name: Xu, Xuefeng
name: Wang, Xiang
name: Xie, Pujun
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: Staphylococcus aureus is one of the most frequently food-contaminated incidence of healthcare-associated Gram-positive bacteria. The antibacterial function and mechanism of phenolic compounds from dandelion are still unclear. Herein, this work aims to screen one of dandelion phenolic extracts with the strongest antibacterial function from its organ such as flower, stem, leaf and root, and to reveal its antibacterial mechanism. The results indicated dandelion flower phenolic extract (DFPE) containing the highest content of caffeic acid, followed by luteolin and luteolin-7-O-glucoside. They, especially caffeic acid and luteolin-7-O-glucoside, played a key role in making the bacterial cellular-membrane ruptured against the bacteria. The leakage of the intracellular substances (adenosine triphosphate and Na+–K+ ATPase) was further confirmed. Conventional hydrogen bond, pi-anion, pi-alkyl were involved in the interaction between caffeic acid or luteolin-7-O-glucoside and Na+–K+ ATPase. Additionally, the dynamic equilibrium of the liganded ATPase complex were achieved after 105 ns, and the lower values from the radius of gyration and solvent accessible surface area in the complex demonstrated the highly tight and compact structure of the liganded protein. The highest free binding energy (ΔGbind = −47.80 kJ/mol) between Na+–K+ ATPase and luteolin-7-O-glycloside was observed. Overall, DFPE can be used as an effective anti-bacterial agent due to the contribution of its bioactive ingredients such as caffeic acid and luteolin-7-O-glucoside for membrane-breaking.
ОСОБЕННОСТИ КЛИНИКИ И ДИАГНОСТИКИ ИШЕМИЧЕСКОЙ НЕФРОПАТИИ У БОЛЬНЫХ САХАРНЫМ ДИАБЕТОМ 2 ТИПА
Creators: name: Назарова, Нигина
name: Жаббаров, Озимбой
Publisher: name: Zenodo
Year: 2024

description: Целью нашей работы явилась оценка распространенности особенностей клинического течения и прогностической значимости ИН у больных сахарным диабетом 2 типа.
Semantic And Syntactic Patterns Of Multiword Names: A Cross-Language Study
Creators: name: Koeva, Svetla
name: Krstev, Cvetana
name: Vitas, Duško
name: Kyriacopoulou, Tita
name: Martineau, Claude
name: Dimitrova, Tsvetana
Publisher: name: Zenodo
Year: 2018

description: Named entities (NEs) constitute a great challenge for computational linguistics and

one of the major research topics during the last decade. They can be divided in cat-

egories describing people, location, time, organization and others. In this paper

we will restrict our discussion to proper names that belong to three main classes:

personal, location and organization names, and that can be either single-word

nouns or multiword expressions. First, we are going to define common (language-

independent) semantic patterns for proper names and then we will present the cor

responding syntactic patterns in English, Bulgarian, French, Greek, and Serbian.

We will compare these patterns regarding grammatical categories of dependent

constituents, definiteness, distribution of clitics, word order and various alterna-

tions. Our ultimate goal is to build a universal framework for Named Entity Recog-

nition (NER).
sj-docx-4-cpa-10.1177_07067437211047226 - Supplemental material for Examining Variations in the Prevalence of Diagnosed Mood or Anxiety Disorders Among Migrant Groups in Ontario, 1995–2015: A Population-Based, Repeated Cross-Sectional Study
Creators: name: Edwards, Jordan
name: Chiu, Maria
name: Rodrigues, Rebecca
name: Thind, Amardeep
name: Stranges, Saverio
name: Anderson, Kelly K.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology
subject: 110319 Psychiatry (incl. Psychotherapy)
subject: FOS: Clinical medicine

description: Supplemental material, sj-docx-4-cpa-10.1177_07067437211047226 for Examining Variations in the Prevalence of Diagnosed Mood or Anxiety Disorders Among Migrant Groups in Ontario, 1995–2015: A Population-Based, Repeated Cross-Sectional Study by Jordan Edwards, Maria Chiu, Rebecca Rodrigues, Amardeep Thind, Saverio Stranges and Kelly K. Anderson in The Canadian Journal of Psychiatry
sj-docx-10-hss-10.1177_15563316211055166 – Supplemental material for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study
Creators: name: Zhong, Haoyan
name: Garvin, Sean
name: Poeran, Jashvant
name: Liu, Jiabin
name: Kirksey, Meghan
name: Wilson, Lauren A.
name: DeMeo, Danya
name: Yang, Elaine
name: Hong, Genewoo
name: Jules-Elysee, Kethy M.
name: Nejim, Jemiel
name: Memtsoudis, Stavros G.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110323 Surgery
subject: FOS: Clinical medicine

description: Supplemental material, sj-docx-10-hss-10.1177_15563316211055166 for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study by Haoyan Zhong, Sean Garvin, Jashvant Poeran, Jiabin Liu, Meghan Kirksey, Lauren A. Wilson, Danya DeMeo, Elaine Yang, Genewoo Hong, Kethy M. Jules-Elysee, Jemiel Nejim and Stavros G. Memtsoudis in HSS Journal®: The Musculoskeletal Journal of Hospital for Special Surgery
Assessing the potential of Psidium guajava derived phytoconstituents as anticholinesterase inhibitor to combat Alzheimer’s disease: an in-silico and in-vitro approach
Creators: name: Bhattacharya, Kunal
name: Bhattacharjee, Atanu
name: Chakraborty, Manodeep
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biochemistry
Molecular Biology
Neuroscience
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified

description: Acetylcholinesterase (AChE) inhibitors play a crucial role in the treatment of Alzheimer’s disease. These drugs increase acetylcholine levels by inhibiting the enzyme responsible for its degradation, which is a vital neurotransmitter involved in memory and cognition. This intervention intermittently improves cognitive symptoms and augments neurotransmission. This study investigates the potential of Psidium guajava fruit extract as an acetylcholinesterase (AChE) inhibitor for Alzheimer’s disease treatment. Molecular characteristics and drug-likeness were analyzed after HR-LCMS revealed phytocompounds in an ethanolic extract of Psidium guajava fruit. Selected phytocompounds were subjected to molecular docking against AChE, with the best-docked compound then undergoing MD simulation, MMGBSA, DCCM, FEL, and PCA investigations to evaluate the complex stability. The hit compound’s potential toxicity and further pharmacokinetic features were also predicted. Anticholinesterase activity was also studied using in vitro assay. The HR-LCMS uncovered 68 compounds. Based on computational analysis, Fluspirilene was determined to have the highest potential to inhibit AChE. It was discovered that the Fluspirilene-AChE complex is stable and that Fluspirilene has a high binding affinity for AChE. Extract of Psidium guajava fruit significantly inhibits AChE (88.37% at 200 μg/ml). It is comparable to the standard AChE inhibitor Galantamine. Fluspirilene exhibited remarkable binding to AChE. Psidium guajava fruit extract demonstrated substantial AChE inhibitory activity, indicating its potential for Alzheimer’s treatment. The study underscores natural sources’ significance in drug discovery.
The Impact of Brand Personality and Customer Satisfaction on Behavioral Factors and Brand Perception on Brand Loyalty in Thai Furniture Shops
Creators: name: Nonthachai Thongyothin
Publisher: name: University of the Thai Chamber of Commerce
Year: 2024
Subjects: Brand loyalty
behavioral factors
brand perception
brand personality
customer satisfaction

description: Journal of Family Business and Management Studies, 16, 2, 147-168
Rural Und Digital: Revolution In Der Landwirtschaft?
Creators: name: Schmidt, Martin
Publisher: name: Zenodo
Year: 2018
Subjects: Landwirtschaft
Agrarwirtschaft
Digitalisierung
Industrie 4.0
Infrastruktur
Automatisierung

description: Um sich neu zu erfinden, nimmt die Landwirtschaft sich die Industrie 4.0 als Vorbild: Drohnen, autonome Traktoren und Roboter sind der erste Schritt. Doch bislang verhindern fehlende Plattformen und schlecht ausgebaute Infrastrukturen auf dem Land die vollständige Vernetzung zum Internet der Landmaschinen. In diesem Beitrag gibt Martin Schmidt einen Überblick zu aktuellen Entwicklungen, Chancen und Risiken.
Additional file 1 of Public health impact and harm reduction implications of xylazine-involved overdoses: a narrative review
Creators: name: Zhu, David T.
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Pharmacology
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Cancer
subject: Science Policy
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 1. Search strategy.
Additional file 1 of Lactation support in neonatal intensive care units in Germany from the mothers’ perspective – a mixed-method study of the current status and needs
Creators: name: Schwab, Isabella
name: Wullenkord, Ricarda
name: Eyssel, Friederike
name: Dresbach, Till
name: Scholten, Nadine
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: Information Systems not elsewhere classified
subject: Cancer

description: Supplementary Material 1.
Supplementary document for Terahertz dual-mechanism dual-band linear-to-circular polarization converter with one-octave band separation and orthogonal polarization - 7381826.pdf
Creators: name: Xing, Zhen-Hao
name: Liao, Siyuan
name: Zheng, Ye
name: Tang, Xingzhou
name: Zhang, HaiFeng
Publisher: name: Optica Publishing Group
Year: 2025
Subjects: Uncategorized

description: Supplemental Material
sj-docx-2-nmi-10.1177_11786388211054664 – Supplemental material for The Role of Nutrition in Degenerative Cervical Myelopathy: A Systematic Review
Creators: name: Partha Sarathi, Celine I
name: Mowforth, Oliver D
name: Sinha, Amil
name: Bhatti, Faheem
name: Bhatti, Aniqah
name: Akhbari, Melika
name: Ahmed, Shahzaib
name: Davies, Benjamin M
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111199 Nutrition and Dietetics not elsewhere classified
subject: FOS: Health sciences

description: Supplemental material, sj-docx-2-nmi-10.1177_11786388211054664 for The Role of Nutrition in Degenerative Cervical Myelopathy: A Systematic Review by Celine I Partha Sarathi, Oliver D Mowforth, Amil Sinha, Faheem Bhatti, Aniqah Bhatti, Melika Akhbari, Shahzaib Ahmed and Benjamin M Davies in Nutrition and Metabolic Insights
Additional file 2 of Lactation support in neonatal intensive care units in Germany from the mothers’ perspective – a mixed-method study of the current status and needs
Creators: name: Schwab, Isabella
name: Wullenkord, Ricarda
name: Eyssel, Friederike
name: Dresbach, Till
name: Scholten, Nadine
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: Information Systems not elsewhere classified
subject: Cancer

description: Supplementary Material 2.
Copper(II)-photocatalyzed Hydrocarboxylation of Schiff bases with CO2: antimicrobial evaluation and in silico studies of Schiff bases and unnatural α-amino acids
Creators: name: Gordon, Allen T.
name: Hosten, Eric C.
name: van Vuuren, Sandy
name: Ogunlaja, Adeniyi S.
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biochemistry
subject: Space Science
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Virology

description: We synthesized and characterized two copper(II) complexes: [CuL2Cl]Cl and [CuL′2Cl]Cl, where L = 2,2'-bipyridine and L′ = 4,4'-dimethyl-2,2'-bipyridine. We evaluated their photocatalytic hydrocarboxylation properties on a series of synthesized Schiff bases (SBs): (E)-1-(4-((5-bromo-2-hydroxybenzylidene)amino)phenyl)ethanone (SB1), (E)-N-(4-(dimethylamino)benzylidene)benzo[d]thiazol-2-amine (SB2), (E)-4-Bromo-2-((thiazol-2-ylimino)methyl)phenol (SB3), and (E)-4-((5-bromo-2-hydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (SB4). Under mild photocatalytic reaction conditions (room temperature, 1 atm CO2, 30-watt Blue LED light), the derivatives of α-amino acids UAA1-4 were obtained with yields ranging from 5% to 44%. Experimental results demonstrated that [CuL2Cl]Cl exhibited superior photocatalytic efficiency compared to [CuL′2Cl]Cl, attributed to favourable electronic properties. In silico studies revealed strong binding strengths with E. faecalis DHFR (4M7U) for docked Schiff bases (SB) and unnatural α-amino acids (UAAs). In vitro studies further demonstrated significant antimicrobial and antifungal activity for SB2, SB3, and SB4, while none of the synthesized UAAs exhibited such properties, primarily due to the electronic and binding properties of these molecules.
sj-pdf-1-jhs-10.1177_17531934211054968 - Supplemental material for Reconstruction of hook grip function of the fingers in patients with traumatic brachial plexus injury
Creators: name: Hara, Yuki
name: Nishiura, Yasumasa
name: Yoshii, Yuichi
name: Asakawa, Shunsuke
name: Matsumoto, Yukei
name: Ochiai, Naoyuki
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110314 Orthopaedics
subject: FOS: Clinical medicine
subject: 110604 Sports Medicine
subject: FOS: Health sciences
subject: 110323 Surgery

description: Supplemental material, sj-pdf-1-jhs-10.1177_17531934211054968 for Reconstruction of hook grip function of the fingers in patients with traumatic brachial plexus injury by Yuki Hara, Yasumasa Nishiura, Yuichi Yoshii, Shunsuke Asakawa, Yukei Matsumoto and Naoyuki Ochiai in Journal of Hand Surgery (European Volume)
sj-docx-11-hss-10.1177_15563316211055166 – Supplemental material for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study
Creators: name: Zhong, Haoyan
name: Garvin, Sean
name: Poeran, Jashvant
name: Liu, Jiabin
name: Kirksey, Meghan
name: Wilson, Lauren A.
name: DeMeo, Danya
name: Yang, Elaine
name: Hong, Genewoo
name: Jules-Elysee, Kethy M.
name: Nejim, Jemiel
name: Memtsoudis, Stavros G.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110323 Surgery
subject: FOS: Clinical medicine

description: Supplemental material, sj-docx-11-hss-10.1177_15563316211055166 for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study by Haoyan Zhong, Sean Garvin, Jashvant Poeran, Jiabin Liu, Meghan Kirksey, Lauren A. Wilson, Danya DeMeo, Elaine Yang, Genewoo Hong, Kethy M. Jules-Elysee, Jemiel Nejim and Stavros G. Memtsoudis in HSS Journal®: The Musculoskeletal Journal of Hospital for Special Surgery
Разработка корпоративного веб-чата с использованием библиотеки SignalR
Creators: name: Кацко, Станислав
Publisher: name: ООО Цифра
Year: 2024
Subjects: corporate web chat
SignalR
real-time communication
WebSocket
Server-Sent Events
Long Polling
data security
load testing
ASP.NET Core
корпоративный веб-чат
коммуникация в реальном времени
безопасность данных
нагрузочное тестирование

description: Международный научно-исследовательский журнал, Выпуск 11 (149) 2024
Design, spectroscopic characterization, in silico and in vitro cytotoxic activity assessment of newly synthesized thymol Schiff base derivatives
Creators: name: Başaran, Eyüp
name: Çakmak, Reşit
name: Sahin, Dicle
name: Köprü, Semiha
name: Türkmenoğlu, Burçin
name: Akkoc, Senem
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biochemistry
Medicine
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Cancer
Virology

description: Cancer is a global public health problem affecting millions of people every year. New anticancer drug candidates are needed to overcome the resistance to drugs used in the treatment of various types of cancer. In this study, two new series of benzenesulfonate-based thymol derivatives (14–19 and 20–25) were synthesized for the first time as promising chemotherapeutic agents and characterized using FT-IR, 1D NMR (1H- and 13C-NMR, APT, DEPT 135), 2D NMR (HETCOR and HMBC), and elemental analysis (CHNS). Antiproliferative activity of the molecules was determined against cancer cell lines, namely, the human lung adenocarcinoma cell line (A549) and the colorectal adenocarcinoma cell line (DLD-1), using MTT method for both 48 and 72 h. Compounds (14–25) showed cytotoxic activities against A549 with IC50 values ranging from 9.98 to 81.83 μM, respectively, compared to cisplatin (6.65 μM). These compounds exhibited antiproliferative activities against DLD-1 cancer cells at concentrations ranging from 4.29 to 53.62 μM, respectively, compared to cisplatin (9.91 μM). Especially, compound 16 displayed significant cytotoxicity on A549 and DLD-1 cancer cells with IC50 values of 9.98 and 10.75 μM, respectively. Finally, molecular docking studies were performed with Bcl-2, VEGFR-2, EGFR, and HER2 targets using the Schrödinger 2021-2 Maestro Glide program. The binding energy values and binding interactions of compounds 16 and 22 were determined to be the result of their interactions with these targets. Schrödinger 2021-2 Qikprop wizard drug similarity ratios and ADME prediction of all compounds 14–25 were also calculated.
sj-docx-4-hss-10.1177_15563316211055166 – Supplemental material for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study
Creators: name: Zhong, Haoyan
name: Garvin, Sean
name: Poeran, Jashvant
name: Liu, Jiabin
name: Kirksey, Meghan
name: Wilson, Lauren A.
name: DeMeo, Danya
name: Yang, Elaine
name: Hong, Genewoo
name: Jules-Elysee, Kethy M.
name: Nejim, Jemiel
name: Memtsoudis, Stavros G.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110323 Surgery
subject: FOS: Clinical medicine

description: Supplemental material, sj-docx-4-hss-10.1177_15563316211055166 for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study by Haoyan Zhong, Sean Garvin, Jashvant Poeran, Jiabin Liu, Meghan Kirksey, Lauren A. Wilson, Danya DeMeo, Elaine Yang, Genewoo Hong, Kethy M. Jules-Elysee, Jemiel Nejim and Stavros G. Memtsoudis in HSS Journal®: The Musculoskeletal Journal of Hospital for Special Surgery
INDIVIDUAL CHARACTERISTICS OF DEVELOPMENT OF ECOLOGICAL CULTURE IN STUDENTS
Creators: name: NURISHOV, DARMENBAY
Publisher: name: Zenodo
Year: 2024

description: The article deals with the framework of our research, it is important to consider ecological culture in order to implement it in the process of forming high school students and their individual capabilities.  Also, in the context of this research, the author says that it is crucial to consider ecological culture when developing high school students and their individual capabilities.
sj-docx-1-pla-10.1177_1866802X211049250 - Supplemental material for Governing a Pandemic: Assessing the Role of Collaboration on Latin American Responses to the COVID-19 Crisis
Creators: name: Cyr, Jennifer
name: Bianchi, Matías
name: González, Lucas
name: Perini, Antonella
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 160607 International Relations
subject: FOS: Political science

description: Supplemental material, sj-docx-1-pla-10.1177_1866802X211049250 for Governing a Pandemic: Assessing the Role of Collaboration on Latin American Responses to the COVID-19 Crisis by Jennifer Cyr, Matías Bianchi, Lucas González and Antonella Perini in Journal of Politics in Latin America
sj-docx-1-cpa-10.1177_07067437211047226 - Supplemental material for Examining Variations in the Prevalence of Diagnosed Mood or Anxiety Disorders Among Migrant Groups in Ontario, 1995–2015: A Population-Based, Repeated Cross-Sectional Study
Creators: name: Edwards, Jordan
name: Chiu, Maria
name: Rodrigues, Rebecca
name: Thind, Amardeep
name: Stranges, Saverio
name: Anderson, Kelly K.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology
subject: 110319 Psychiatry (incl. Psychotherapy)
subject: FOS: Clinical medicine

description: Supplemental material, sj-docx-1-cpa-10.1177_07067437211047226 for Examining Variations in the Prevalence of Diagnosed Mood or Anxiety Disorders Among Migrant Groups in Ontario, 1995–2015: A Population-Based, Repeated Cross-Sectional Study by Jordan Edwards, Maria Chiu, Rebecca Rodrigues, Amardeep Thind, Saverio Stranges and Kelly K. Anderson in The Canadian Journal of Psychiatry
Additional file 1 of Piloting Rasch model scoring of the National Eye Institute Visual Function Questionnaire in uveitis
Creators: name: Gittel, Lisa
name: Li, Jeany Q.
name: Dell, Jennifer
name: Wintergerst, Maximilian W. M.
name: Heinz, Carsten
name: Finger, Robert P.
name: Terheyden, Jan Henrik
Publisher: name: figshare
Year: 2024
Subjects: subject: Space Science
subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Science Policy
subject: Mental Health

description: Supplementary Material 1.
Synthesis, molecular docking, and molecular dynamic simulation studies of new 1,3,4-thiadiazole derivatives as potential apoptosis inducers in A549 lung cancer cell line
Creators: name: Yurttaş, Leyla
name: Evren, Asaf Evrim
name: AlChaib, Huda
name: Temel, Halide Edip
name: Çiftçi, Gülşen Akalin
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biochemistry
Cell Biology
Pharmacology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer

description: 1,3,4-Thiadiazoles are structures that are bioisosteres of 1,3,4-oxadiazole and pyrimidine ring, which are found in the structure of many drugs and anticancer active newly studied derivatives. In the past, high effect profiles have been observed in many molecules created, based on the anticancer effects of the 2-amino-1,3,4-thiadiazole (NSC 4728) molecule and acetazolamide molecules. Focusing on these molecules and evaluating them in terms of mechanistic effects, twelve new N-[5-((3,5-dichlorophenoxy) methyl]-1,3,4-thiadiazole derivatives (3a–3i) were synthesized and their biological activities were investigated in lung cancer cells. The anticancer effects of the compounds were evaluated on the A549 and L929 cell lines. Compound 3f, namely 2-[(5-chlorobenzotiyazol-2-yl)thio]-N-[5-[(3,5-dichlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide, showed better activity than cisplatin, exhibiting high inhibitory potency (IC50: <0.98 μg/mL) and selectivity against A549 cell line even at the lowest concentration tested. Compounds 3c, 3f, and 3h with the lowest IC50 values of the compounds exhibited an excellent percentage of apoptosis between 72.48 and 91.95% compared to cisplatin. The caspase-3 activation and mitochondrial membrane potential change of the aforementioned three compounds were also studied. Moreover, matrix metalloproteinase-9 (MMP-9) inhibition potential of all final compounds was also investigated and IC50 values for compounds 3b and 3g were identified as 154.23 and 107.28 µM. Molecular docking and molecular dynamic simulation studies for MMP-9 enzyme inhibition were realized on these compounds and the nitrogen atoms of amide and thiadiazole moieties’ ascertained that they play a key role in chelating with Zn metal, at the same time, (thio)ether moieties allow conformational change resulting in the ligand can make more stable contacts.
sj-pdf-1-imr-10.1177_03000605211047371 - Supplemental material for Clinical study of intramedullary nailing fixation for the treatment of Danis-Weber B in lateral malleolus fracture
Creators: name: Chen, Hongfeng
name: Li, Zhen
name: Yang, Dongsong
name: Wang, Pengru
name: Niu, Junke
name: He, Xishun
name: Wu, Guangliang
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: Health and Community Services
subject: Cardiology
subject: Dentistry not elsewhere classified
subject: Emergency Medicine
subject: Endocrinology
subject: Geriatrics and Gerontology
subject: Neurology and Neuromuscular Diseases
subject: FOS: Clinical medicine
subject: Nursing not elsewhere classified
subject: Nutrition and Dietetics not elsewhere classified
subject: Oncology and Carcinogenesis not elsewhere classified
subject: Orthopaedics
subject: Sports Medicine
subject: Otorhinolaryngology
subject: Aged Health Care
subject: Paediatrics
subject: Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: Psychology not elsewhere classified
subject: Psychiatry (incl. Psychotherapy)
subject: Public Health and Health Services not elsewhere classified
subject: Respiratory Diseases
subject: Sociological Methodology and Research Methods
subject: Surgery

description: Supplemental material, sj-pdf-1-imr-10.1177_03000605211047371 for Clinical study of intramedullary nailing fixation for the treatment of Danis-Weber B in lateral malleolus fracture by Hongfeng Chen, Zhen Li, Dongsong Yang, Pengru Wang, Junke Niu, Xishun He and Guangliang Wu in Journal of International Medical Research
Structural and functional analysis of engineered antibodies for cancer immunotherapy: insights into protein compactness and solvent accessibility
Creators: name: Saini, Samvedna
name: Kumar, Yatender
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biophysics
Biochemistry
Space Science
Physical Sciences not elsewhere classified
Biotechnology
Chemical Sciences not elsewhere classified
Information Systems not elsewhere classified
Cancer
Hematology
Computational Biology
Cardiology

description: Antibodies are crucial tools in various biomedical applications, including immunotherapy. In this study, we focused on designing and engineering antibodies to enhance their structural dynamics and functional properties. By employing advanced computational techniques and experimental validation, we gained crucial insights into the impact of specific mutations on the engineered antibodies. This study investigates the design and engineering of antibodies to improve their structural dynamics and functional properties. Structural attributes, such as protein compactness and solvent accessibility, were assessed, revealing interesting trends in anti-CD3 and anti-HER2 antibodies. Mutations in CD3 antibodies resulted in a more stable conformation, while mutant HER2 antibodies exhibited altered interaction with the target. Analysis of secondary structure assignments demonstrated significant changes in the folding and stability of the mutant antibodies compared to the wild-type counterparts. The conformational landscape of the engineered antibodies was explored, providing insights into folding pathways and binding mechanisms. Overall, the current study highlights the significance of antibody design and engineering in modulating structural dynamics and functional properties. The findings contribute to developing improved immunotherapeutic strategies by optimising antibody-based therapeutics for targeted diseases with enhanced efficacy and precision.
The Syntactic Flexibility Of Semantically Non-Decomposable Idioms
Creators: name: Bargmann, Sascha
name: Sailer, Manfred
Publisher: name: Zenodo
Year: 2018

description: Nunberg et al. (1994) caused a shift in perspective from a monolithic view of all

idioms towards a word-level approach for semantically decomposable idioms. We

take that idea one step further and argue that a semantically non-decomposable

idiom of syntactically regular shape can also be analyzed in terms of individual

word-level lexical entries. We suggest that these entries combine according to the

standard rules of syntax and that the restrictions on the syntactic flexibility of a

semantically non-decomposable idiom follow exclusively from the interaction of

the special semantics of these entries with the semantic and pragmatic constraints

of the relevant syntactic constructions in a particular language. In our analysis, the

words constituting a non-decomposable idiom make partially identical semantic

contributions. We formulate our analysis in Lexical Resource Semantics (Richter

& Sailer 2004).
sj-docx-12-hss-10.1177_15563316211055166 – Supplemental material for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study
Creators: name: Zhong, Haoyan
name: Garvin, Sean
name: Poeran, Jashvant
name: Liu, Jiabin
name: Kirksey, Meghan
name: Wilson, Lauren A.
name: DeMeo, Danya
name: Yang, Elaine
name: Hong, Genewoo
name: Jules-Elysee, Kethy M.
name: Nejim, Jemiel
name: Memtsoudis, Stavros G.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110323 Surgery
subject: FOS: Clinical medicine

description: Supplemental material, sj-docx-12-hss-10.1177_15563316211055166 for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study by Haoyan Zhong, Sean Garvin, Jashvant Poeran, Jiabin Liu, Meghan Kirksey, Lauren A. Wilson, Danya DeMeo, Elaine Yang, Genewoo Hong, Kethy M. Jules-Elysee, Jemiel Nejim and Stavros G. Memtsoudis in HSS Journal®: The Musculoskeletal Journal of Hospital for Special Surgery
Differential Argument Marking: Patterns Of Variation
Creators: name: Witzlack-Makarevich, Alena
Publisher: name: Zenodo
Year: 2018

description: In this introductory article we provide an overview of the range of the phenomena that

can be referred to as differential argument marking (DAM). We begin with an overview of

the existing terminology and give a broad definition of the DAM to cover the phenomena

discussed in the present volume and in the literature under this heading. We then consider

various types of the phenomenon which have figured prominently in studies of DAM in

various traditions. First, we differentiate between arguments of the same predicate form

and arguments of different predicate forms. Within the first type we discuss DAM systems

triggered by inherent lexical argument properties and the ones triggered by non-inherent,

discourse-based argument properties, as well as some minor types. It is this first type that

traditionally constitutes the core of the phenomenon and falls under our narrow definition

of DAM. The second type of DAM is conditioned by the larger syntactic environment, such

as clause properties (e.g. main vs. embedded) or properties of the predicate (e.g. its TAM

characteristics). Then, we also discuss the restrictions that may constrain the occurrence

of DAM cross-linguistically, other typical features of DAM systems pertaining to the mor-

phological realization (symmetric vs. asymmetric) or to the degree of optionality of DAM.

Finally, we provide a brief overview over functional explanations of DAM.
Additional file 3 of Non-invasive quantification of 18F-florbetaben with total-body EXPLORER PET
Creators: name: Holy, Emily Nicole
name: Li, Elizabeth
name: Bhattarai, Anjan
name: Fletcher, Evan
name: Alfaro, Evelyn R.
name: Harvey, Danielle J.
name: Spencer, Benjamin A.
name: Cherry, Simon R.
name: DeCarli, Charles S.
name: Fan, Audrey P.
Publisher: name: figshare
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Mental Health

description: Supplementary Material 3
(Phyllanthodendron)
Creators: name: Yao, Gang
name: Luo, Shixiao
name: Huang, Jiuxiang
name: Song, Zhuqiu
Publisher: name: Zenodo
Year: 2024
Subjects: Biodiversity
Taxonomy
Plantae

description: Key to species of the subgenus Phyllanthodendron in Glochidion
1. Sepals usually aristate at apex, acumens 3‒5 mm long; capsules prominently 3-lobed .................................................................... 2
- Sepals usually rounded, acute or acuminate at apex; capsules subglobose or globose-triangular ..................................................... 3
2. Tree with succulent and swollen stem base; capsules ca. 5 mm in diam ......................................................................... G. mirabilis
- Tree with non-succulent and non-swollen stem base; capsules 8‒10 mm in diam ....................................................... G. kaweesakii
3. Branchlets conspicuously winged ................................................................................................................................. G. dunnianus
- Branchlets terete ................................................................................................................................................................................. 4
4. Leaf blades usually less than 4 cm long ............................................................................................................................................. 5
- Leaf blade mostly longer than 5 cm ................................................................................................................................................... 6
5. Leaf blades 1.6‒2.0 cm long, and 0.7‒0.9 cm wide; capsules ca. 4.5 mm in diam.................................................... G. dongmoense
- Leaf blades usually 1.0‒ 3.5 cm long, and 0.5‒1.5 cm wide; capsules 5‒8 mm in diam..................................... G. anthopotamicum
6. Sepals caudate or narrowly acuminate at apex; lateral veins absent in sepals; capsules 5–7 mm in diam., triangular-globose.......... .............................................................................................................................................................................. G. liangkwangense
- Sepals acute to shortly acuminate at apex; lateral veins present in sepals; capsules 8–10 mm in diam., subglobose ......................... ................................................................................................................................................................................. G. yangchunense
description: Published as part of Yao, Gang, Luo, Shixiao, Huang, Jiuxiang & Song, Zhuqiu, 2024, Glochidion liangkwangense (Phyllanthaceae), a new species from Guangdong and Guangxi Provinces, China, pp. 95-101 in Phytotaxa 677 (1) on pages 100-101, DOI: 10.11646/phytotaxa.677.1.6, http://zenodo.org/record/14522098
sj-docx-6-hss-10.1177_15563316211055166 – Supplemental material for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study
Creators: name: Zhong, Haoyan
name: Garvin, Sean
name: Poeran, Jashvant
name: Liu, Jiabin
name: Kirksey, Meghan
name: Wilson, Lauren A.
name: DeMeo, Danya
name: Yang, Elaine
name: Hong, Genewoo
name: Jules-Elysee, Kethy M.
name: Nejim, Jemiel
name: Memtsoudis, Stavros G.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110323 Surgery
subject: FOS: Clinical medicine

description: Supplemental material, sj-docx-6-hss-10.1177_15563316211055166 for The Use of Critical Care Services After Orthopedic Surgery at a High-Volume Orthopedic Medical Center: A Retrospective Study by Haoyan Zhong, Sean Garvin, Jashvant Poeran, Jiabin Liu, Meghan Kirksey, Lauren A. Wilson, Danya DeMeo, Elaine Yang, Genewoo Hong, Kethy M. Jules-Elysee, Jemiel Nejim and Stavros G. Memtsoudis in HSS Journal®: The Musculoskeletal Journal of Hospital for Special Surgery
Additional file 4 of Non-invasive quantification of 18F-florbetaben with total-body EXPLORER PET
Creators: name: Holy, Emily Nicole
name: Li, Elizabeth
name: Bhattarai, Anjan
name: Fletcher, Evan
name: Alfaro, Evelyn R.
name: Harvey, Danielle J.
name: Spencer, Benjamin A.
name: Cherry, Simon R.
name: DeCarli, Charles S.
name: Fan, Audrey P.
Publisher: name: figshare
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Mental Health

description: Supplementary Material 4