bluuebunny/crossref_metadata_2025 huggingface dataset:
Evidence vs. Anecdote: Using Syllabi to Plan Curriculum-Integrated Information Literacy Instruction
Authors: VanScoy Amy , Oakleaf Megan J.
Published: June 2014

Many academic library instruction programs seek to integrate information literacy skills into the curriculum of academic departments. Previous literature on this topic generally recommends a “tiered” approach to curriculum-integrated instruction (CII); these tiered approaches suggest teaching basic skills to first- and second-year students and advanced skills to third- and fourth-year students. Many authors identify skills to teach at each level; however, their recommendations appear to be based on anecdote and common sense. While both anecdote and common sense are useful as starting points, librarians who plan CII programs should use evidence to make instructional decisions. To provide evidence for CII planning, this syllabus study investigated the research skills required of first-year students in their first semester at college. The results demonstrate that most first-semester students are required to find articles and Web sites to support their assignments, and many students are required to find books. Some must also find reference books as well as data and statistical sources to complete their course assignments. These results suggest that previous recommendations regarding tiered instructional approaches should be investigated further and revised.
Revising the “One-Shot” through Lesson Study: Collaborating with Writing Faculty to Rebuild a Library Instruction Session
Authors: Watson Shevaun E. , Rex Cathy , Markgraf Jill , Kishel Hans , Jennings Eric , Hinnant Kate
Published: June 2014

The one-shot library instruction session has long been a mainstay for many information literacy programs. Identifying realistic learning goals, integrating active learning techniques, and conducting meaningful assessment for a single lesson all present challenges. Librarians and English faculty at one college campus confronted these challenges by participating in a year-long lesson study, a process of collaboratively planning, observing, and assessing a single lesson. By collectively identifying goals and priorities, designing and redesigning the lesson, and assessing outcomes through observation, surveys, and focus groups, librarians and teaching faculty negotiated varying expectations and demands for providing one-shot library instruction.
Why Some Students Continue to Value Individual, Face-to-Face Research Consultations in a Technology-Rich World
Authors: Magi Trina J. , Mardeusz Patricia E.
Published: June 2014

For decades, academic librarians have provided individual research consultations for students. There is little information, however, about why students schedule consultations, the kinds of assistance students feel are provided by librarians during consultations, and what students find valuable about face-to-face consultations, even with the availability of online research help. This exploratory, qualitative study of individual research consultations at the University of Vermont gathered students’ views on these questions. The findings will help librarians better understand how individual consultations serve students and what role consultations should play in the mix of reference services offered.
Assessment in the One-Shot Session: Using Pre- and Post-tests to Measure Innovative Instructional Strategies among First-Year Students
Authors: Bryan Jacalyn E. , Karshmer Elana
Published: June 2014

Many studies focus on the use of different assessment tools within information literacy instruction; however, there are very few that discuss how pre- and post-tests can be used to gauge student learning, and even fewer of those published deal with pre- and post-test assessment within the one-shot paradigm. This study explores the effectiveness of using nonlinguistic representations—kinesthetic, graphic, and physical models—in one-shot library sessions for first-year students in SLU 100 Introduction to the University Experience. As hypothesized, the findings suggest that the use of such representations can enhance student learning and assist in developing research skills that are essential to acquiring information literacy.
Publication and Language Trends of References in Spanish and Latin American Literature
Authors: Nolen David S.
Published: June 2014

This study examined references found in three journals in the field of Spanish and Latin American literary studies. Few previous studies have examined types of publishers producing highly cited/referenced books. The data indicate that the primary publishers of scholarly monographs referenced in the journals are U.S. university presses, foreign academic trade presses, and foreign popular trade presses. U.S. university presses, foreign academic trade presses, and government entities published most of the volumes of collected essays referenced. Scholarly monographs published outside the U.S. represented the largest proportions of references, with large growth in references to volumes of collected essays published in the United States. References to English-language materials increased significantly from 1970 to 2000.
Core Journals in Library and Information Science: Developing a Methodology for Ranking LIS Journals
Authors: Nixon Judith M.
Published: June 2014

In the library science field, there is no professionally accepted tiered list of journals in the United States to guide librarians, as there is in other academic disciplines. This situation creates a challenge for both new and experienced librarians who wish to make a serious contribution to librarianship by publishing articles. This article outlines a methodology used at the Libraries of Purdue University, which could be adapted by other university libraries, to create a tiered list of journals tailored to the institution. The article begins with a literature review that identifies a short list of top-level journals. This is followed by the methodology that uses expert opinion surveys, acceptance and circulation rates, impact factors, h-indexes, and journals with local faculty articles. Tables with the journals ranked into three tiers are included.
Developing Humanities Collections in the Digital Age: Exploring Humanities Faculty Engagement with Electronic and Print Resources
Authors: Kachaluba Sarah Buck , Brady Jessica Evans , Critten Jessica
Published: June 2014

This article is based on quantitative and qualitative research examining humanities scholars’ understandings of the advantages and disadvantages of print versus electronic information resources. It explores how humanities’ faculty members at Florida State University (FSU) use print and electronic resources, as well as how they perceive these different formats. It was carried out with the goal of assisting the authors and other librarians in choosing between electronic and print formats when performing collection development responsibilities.
Library Impact Data Project: Looking for the Link between Library Usage and Student Attainment
Authors: Stone Graham , Ramsden Bryony
Published: June 2014

The Library Impact Data Project was a six-month project funded by Jisc and managed by the University of Huddersfield to investigate this hypothesis: “There is a statistically significant correlation across a number of universities between library activity data and student attainment.” E-resources usage, library borrowing statistics, and library gate entries were measured against final degree award for 33,074 undergraduate students across eight U.K. universities. The research successfully demonstrated a statistically significant relationship between library resource use and level of degree result; however, any conclusions drawn are not indicators that library usage and student attainment have a causal relationship.
Impulsivité et troubles liés à une substance : un mélange explosif !
Authors: Chanut Florence
Published: June 2014

Un nombre croissant d’études utilisant des techniques comportementales, neurobiologiques et d’imagerie confirment une forte association entre l’impulsivité et les comportements dits «addictifs» (entrainant une dépendance), telle que le jeu pathologique, les comportements alimentaires excessifs et les troubles liés à une substance. Les troubles liés à l’usage d’une substance sont la forme la plus étudiée de comportements «addictifs». Le présent article se veut un résumé des données scientifiques actuelles liant toxicomanie et impulsivité, en terminant par quelques pistes de traitement adaptées aux moyens cliniques courants.
Mof-associated complexes have overlapping and unique roles in regulating pluripotency in embryonic stem cells and during differentiation
Authors: Ravens Sarina , Fournier Marjorie , Ye Tao , Stierle Matthieu , Dembele Doulaye , Chavant Virginie , Tora Làszlò
Published: June 2014

The histone acetyltransferase (HAT) Mof is essential for mouse embryonic stem cell (mESC) pluripotency and early development. Mof is the enzymatic subunit of two different HAT complexes, MSL and NSL. The individual contribution of MSL and NSL to transcription regulation in mESCs is not well understood. Our genome-wide analysis show that i) MSL and NSL bind to specific and common sets of expressed genes, ii) NSL binds exclusively at promoters, iii) while MSL binds in gene bodies. Nsl1 regulates proliferation and cellular homeostasis of mESCs. MSL is the main HAT acetylating H4K16 in mESCs, is enriched at many mESC-specific and bivalent genes. MSL is important to keep a subset of bivalent genes silent in mESCs, while developmental genes require MSL for expression during differentiation. Thus, NSL and MSL HAT complexes differentially regulate specific sets of expressed genes in mESCs and during differentiation.
A user-friendly, open-source tool to project impact and cost of diagnostic tests for tuberculosis
Authors: Dowdy David W , Andrews Jason R , Dodd Peter J , Gilman Robert H
Published: June 2014

Most models of infectious diseases, including tuberculosis (TB), do not provide results customized to local conditions. We created a dynamic transmission model to project TB incidence, TB mortality, multidrug-resistant (MDR) TB prevalence, and incremental costs over 5 years after scale-up of nine alternative diagnostic strategies. A corresponding web-based interface allows users to specify local costs and epidemiology. In settings with little capacity for up-front investment, same-day microscopy had the greatest impact on TB incidence and became cost-saving within 5 years if delivered at $10/test. With greater initial investment, population-level scale-up of Xpert MTB/RIF or microcolony-based culture often averted 10 times more TB cases than narrowly-targeted strategies, at minimal incremental long-term cost. Xpert for smear-positive TB had reasonable impact on MDR-TB incidence, but at substantial price and little impact on overall TB incidence and mortality. This user-friendly modeling framework improves decision-makers' ability to evaluate the local impact of TB diagnostic strategies.
Loss of the multifunctional RNA-binding protein RBM47 as a source of selectable metastatic traits in breast cancer
Authors: Vanharanta Sakari , Marney Christina B , Shu Weiping , Valiente Manuel , Zou Yilong , Mele Aldo , Darnell Robert B , Massagué Joan
Published: June 2014

The mechanisms through which cancer cells lock in altered transcriptional programs in support of metastasis remain largely unknown. Through integrative analysis of clinical breast cancer gene expression datasets, cell line models of breast cancer progression, and mutation data from cancer genome resequencing studies, we identified RNA binding motif protein 47 (RBM47) as a suppressor of breast cancer progression and metastasis. RBM47 inhibited breast cancer re-initiation and growth in experimental models. Transcriptome-wide HITS-CLIP analysis revealed widespread RBM47 binding to mRNAs, most prominently in introns and 3′UTRs. RBM47 altered splicing and abundance of a subset of its target mRNAs. Some of the mRNAs stabilized by RBM47, as exemplified by dickkopf WNT signaling pathway inhibitor 1, inhibit tumor progression downstream of RBM47. Our work identifies RBM47 as an RNA-binding protein that can suppress breast cancer progression and demonstrates how the inactivation of a broadly targeted RNA chaperone enables selection of a pro-metastatic state.
Structural Changes in the Chinese Stock Market: A Review of Empirical Research
Authors: Lu Haitian , Fu Jiajia
Published: June 2014

China’s stock market has gone through major structural changes since its inception in the early 1990s. In this survey article, we review the empirical literature published in 15 leading accounting and finance journals from 1998 to 2013 that documents these important structural changes. In analysing this literature, we focus on the ‘distinctiveness’ of the Chinese stock market compared with developed stock markets (e.g. US) and the research opportunities generated by the China setting. Key themes include China’s share issue privatisation (SIP) reforms, the political connections in privately owned companies, the characteristics of Chinese listed companies and their governance, the regulatory environment reforms in China, and the evolving role played by auditors and other information intermediaries.
State Policies Regulating Firearms and Changes in Firearm Mortality
Authors: Schell Terry L. , Smart Rosanna , Cefalu Matthew , Griffin Beth Ann , Morral Andrew R.
Published: July 2024

Importance

Despite high social and public health costs of firearm violence in the United States, the effects of many policies designed to reduce firearm mortality remain uncertain.

Objective

To estimate the individual and joint effect sizes of state firearm policies on firearm-related mortality.

Design, Setting, and Participants

In this comparative effectiveness study, bayesian methods were used to model panel data of annual, state-level mortality rates (1979-2019) for all US firearm decedents, with analyses conducted in October 2023.

Exposures

Six classes of firearms policies: background checks, minimum age, waiting periods, child access, concealed carry, and stand-your-ground laws.

Main Outcome and Measures

Primary outcomes (total firearm deaths, firearm homicide deaths, and firearm suicide deaths) were assessed using the National Vital Statistics System. Bayesian estimation was used to estimate the partial association of changes in firearms policies with subsequent changes in firearm mortality.

Results

The estimated effect sizes of individual policies 5 or more years after implementation were generally small in magnitude and had considerable uncertainty. The policy class with the highest probability of reducing firearm deaths was child-access prevention laws, estimated to reduce overall firearm mortality by 6% (80% credible interval [CrI], −2% to −9%). The policy class with the highest probability of increasing firearm deaths was stand-your-ground laws, estimated to increase firearm homicides by 6% (80% CrI, 0% to 13% increase). Estimates of association of implementing multiple firearm restrictions with subsequent changes in firearm mortality yielded larger effect sizes. Moving from the most permissive to most restrictive set of firearm policies was associated with an estimated 20% reduction in firearm deaths (80% CrI, 10% to 28% reduction), with a 0.99 probability of any reductions in firearm death rates.

Conclusions and Relevance

In this comparative effectiveness study of state firearm policies, the joint effect estimates of combinations of firearm laws were calculated, showing that restrictive firearm policies were associated with substantial reductions in firearm mortality. Although policymakers would benefit from knowing the effects of individual policies, the estimated changes in firearm mortality following implementation of individual policies were often small and uncertain.
Sucrose‐Based Dense, Pure, and Highly‐Crystalline Graphitic Materials for Lithium‐Ion Batteries
Authors: Jurkiewicz Karolina , Liszka Barbara , Gancarz Paweł , Smykała Szymon , Zygadło Dorota , Nokielski Patryk , Lamrani Taoufik , Talik Ewa , Wrzalik Roman , Walkowiak Mariusz , Ilavsky Jan
Published: July 2024

At present, most synthetic graphite materials commonly used as anode active ingredients in lithium‐ion cells are produced by graphitization of petroleum cokes. The carbon footprint associated with synthetic graphite production is significant. Thus, bio‐derived and cheap precursors, such as saccharides, would be an attractive alternative for the sustainable production of graphitic carbons. However, they are non‐graphitizing at temperatures as high as 3000 °C, preserving the curved, fullerene‐like structure of graphene layers and microporosity. Consequently, many lithium ions are consumed during the formation of solid electrolyte interphase films and passivated in the nanovoids. Here, a method for the production of pure, crystalline, graphitic materials based on sucrose disposed of microporosity is presented, which also works with a variety of saccharides and other organic precursors of hard carbons—generally considered incapable of such transformation. This process employs catalytic graphitization by Si particles at high temperatures. The electrochemical response of such derived sucrose‐based graphite in Li‐ion half‐cells demonstrated its feasibility to serve as an anode active material for rechargeable Li‐ion batteries.
Molecular Electro(Photo)Catalysis: Triarylamine and Triarylimidazole Derivatives Mediated Oxidation Systems in Organic Electrosynthesis
Authors: Liu Shuai , Ma Li , Hao Feixiang , Gao Wei , Li Baoying , Liu Siyuan , Liu Zunqi , Li Yuehui , Chen Jianbin
Published: July 2024

Organic electrosynthesis has become a green, efficient and sustainable alternative to traditional organic transformation for the redox reactions. In this connection, indirect electrolysis employing redox mediators is attaining increasing significance as it offers a chance to improve reaction selectivity and avoids the over‐oxidation/reduction issues encountered in direct electrolysis. Triarylamines and triarylimidazoles, as representative organic molecular mediators, have attracted widespread attention in recent years due to the advantages of well‐defined easy structural modification and tunable redox ability. Hence, in this minireview, the recent growth of triarylamine and triarylimidazole derivatives mediated electrochemical oxidation reactions were presented, highlighting the structural optimization, electrochemical performance and reaction mechanism of these organic mediators. Moreover, the photocatalytic and photoelectrocatalytic cases with these molecular mediators were also highlighted. To conclude, the current challenges and future prospects of this field are also discussed.
Origami Morphing Surfaces with Arrayed Quasi‐Rigid‐Foldable Polyhedrons
Authors: Li Jiacong , Bao Jiali , Ho Chengyeh , Li Shuguang , Xu Jing
Published: July 2024

Artificial morphing surfaces, inspired by the high adaptability of biological tissues, have emerged as a significant area of research in recent years. However, the practical applications of these surfaces, constructed from soft materials, are considerably limited due to their low shear stiffness. Rigid‐foldable cylinders are anisotropic structures that exhibit high adaptability and shear stiffness. Thus, they have the potential to address this issue. However, changes in shape and area at both ends during folding can lead to collisions or gaps on the morphing surface. Here, a quasi‐rigid‐foldable (QRF) rate is first introduced to quantify the rigid‐foldability of a foldable structure and validate it through experiments. More importantly, a QRF polyhedron is then proposed, which is not only notably anisotropic, similar to a rigid‐foldable cylinder, but also exhibits a zero‐Poisson's ratio property, making it suitable for arraying as morphing surfaces without any collisions or gaps. Such surfaces have a myriad of applications, including modulating electromagnetic waves, gripping fragile objects, and serving as soles for climbing robots.
Self‐Selective Crossbar Synapse Array with n‐ZnO/p‐NiOx/n‐ZnO Structure for Neuromorphic Computing
Authors: Chung Peter Hayoung , Ryu Jiyeon , Seo Daejae , Sahu Dwipak Prasad , Song Minju , Kim Junghwan , Yoon Tae‐Sik
Published: July 2024

Artificial synapse devices are essential elements for highly energy‐efficient neuromorphic computing. They are implemented as crossbar array architecture, where highly selective synaptic weight updates for training and sneak leakage‐free inference operations are required. In this study, self‐selective bipolar artificial synapse device is proposed with n‐ZnO/p‐NiOx/n‐ZnO heterojunction, and its analog synapse operation with high selectivity is demonstrated in 32 × 32 crossbar array architecture without the aid of selector devices. The built‐in potential barrier at p‐NiOx/n‐ZnO junction and the Zener tunneling effect provided nonlinear current–voltage characteristics at both voltage polarities for self‐selecting function for synaptic potentiation and depression operations. Voltage‐driven redistribution of oxygen ions inside n–p–n oxide structure, evidenced by x‐ray photoelectron spectroscopy, modulated the distribution of oxygen vacancies in the layers and consequent conductance in an analog manner for the synaptic weight update operation. It demonstrates that the proposed n–p–n oxide device is a promising artificial synapse device implementing self‐selectivity and analog synaptic weight update in a crossbar array architecture for neuromorphic computing.
Highly Concentrated Asymmetric KTFSI for Aqueous Potassium Ion Batteries
Authors: Kumaresan Thileep Kumar , Ikhe Amol Bhairuba , Park Woon‐Bae , Prabakar S. J. Richard , Noh Hyeon Su , Seo Jung Yong , Lee Young‐Kook , Sohn Kee‐Sun , Kwak Joon Seop , Pyo Myoungho
Published: July 2024

Potassium imide salt (KCTFSI), featuring cyano (C≡N) and trifluoromethanesulfonyl (TFSI) branches, is reported for the first time as a promising electrolyte for aqueous potassium‐ion batteries (KIBs). In contrast to the limited solubility of symmetric KTFSI (1.5m), asymmetric KCTFSI achieves a high saturation concentration of 32.2m within a “water‐in‐salt” region. Experimental and theoretical studies reveal that the remarkable enhancement of solubility is associated with the asymmetry of CTFSI anions and likely the preferential formation of contact‐ion pairs through C≡N coordination. The 32.2m KCTFSI solution not only extends the electrochemical stability window (3.80 V on Al) but also maintains a liquid state at low temperatures (−15 °C) for an extended period, in sharp contrast to the immediate solidification of potassium bis(fluorosulfonyl)imide (KFSI, 30m) and potassium trifluoromethanesulfonate (KOTF, 22m) solutions. Thanks to its wide voltage window and supercooling behavior, KCTFSI demonstrates excellent compatibility with perylene‐3,4,9,10‐tetracarboxylic diimide (PTCDI) anode and KVPO4F (or K2Fe[Fe(CN)6]·2H2O) cathode over a wide temperature range. For instance, full cells of PTCDI/KCTFSI/KVPO4F exhibit reasonable cyclability with an average discharge voltage of 1.7 V over 300 charge/discharge cycles at −15 °C. it is anticipated that this work will inspire new designs of hybrid electrolytes based on CTFSI to advance the realization of viable aqueous KIBs.
Online media sentiment analysis for US oysters
Authors: Bradford Taylor L. , Quagrainie Kwamena K.
Published: July 2024

Sentiment analysis, a form of data analytics, utilises information from online discussions, reviews, and social media posts to assess consumer sentiments. This study utilised data collected from social media using online listening procedures to assess online sentiments on oysters from January 2019 through December 2022. The analysis utilises machine learning algorithms to extract consumer sentiments, opinions, and demands from online chatter from different online domains. The online sentiments are determined as positive, negative, or neutral based on their word choice, tone, and context. The information provided gives insights into perception, which is valuable information for oyster producers, seafood industry stakeholders, and marketers to identify consumer preferences and formulate appropriate strategies accordingly. The results suggest that while farmed oysters are gaining popularity, there are still some concerns and criticisms around the industry. Positive words associated with mentions of oysters in general include ‘great’, ‘love’, ‘delicious’, ‘enjoyed’, and ‘oyster bar’, while negative words associated with oysters include ‘water’, ‘raw oyster’, ‘bad’, and ‘not eat’. The overall percentage net sentiment associated with all oysters in the United States is positive at 63%. The net sentiment associated with wild oysters is positive, at 51%, and that of farmed oysters is 58%. The oyster industry could invest more in public education, sustainability, and water‐cleaning initiatives to improve its image. Utilising social media to monitor and shape public perception can help the industry address concerns and enhance oyster‐related sentiments, offering valuable insights for marketing and sales strategies.
Development of Two Synthetic Routes to 4‐(N‐Boc‐N‐methylaminomethyl)benzaldehyde: A Versatile Starting Material in Pharmaceutical Synthesis
Authors: Park Jinjae , Jeong Myunghoon , Li Shirun , Seo Ju‐Ahn , Lee Yong Ho , Cheon Cheol‐Hong
Published: July 2024

Two novel synthetic routes to 4‐(N‐Boc‐N‐methylaminomethyl)benzaldehyde, an important pharmaceutical starting material, were developed using terephthaloyl chloride and terephthalaldehyde. In the first approach, terephthaloyl chloride was converted to an ester amide. The treatment of the ester amide with LiAlH4 followed by protection of the resulting amine with tert‐butoxycarbonyl anhydride yielded the corresponding benzyl alcohol. The benzyl alcohol was oxidized to the aldehyde completing the first‐generation synthesis. The second approach utilized a one‐step protocol mono‐selective reductive amination of terephthalaldehyde with N‐Boc‐methylamine using chlorodimethylsilane. Both methods were scalable to 50 mmol and provided the desired aldehyde in a synthetically useful yield, demonstrating their practicality.
Influence of Fractional and Decay Parameters on the SU(1,1) Quantum System Interaction with Three‐Level Atom
Authors: Obada A.‐S. F. , Abu‐Shady M. , Khalil E. M. , Habeba H. F.
Published: July 2024

Through the generalized fractional derivative, it is studied how the decay term and the fractional parameter affect the quantum system, specifically the interaction between the SU(1,1) algebraic system and a three‐level atom. By transforming the differential equations into fractional differential equations, general fractional solutions are obtained. The influence of decay and fractional parameter on phenomena such as revival and collapse, entropy squeezing, purity, and concurrence are investigated. The results demonstrate how both decay and fractal parameter affect periods of collapse and revival. It is worth noting that the decay parameter shortens the collapse periods, while an increase in the fractional parameter leads to longer collapse periods. The decay parameter also reduces the degree of entanglement between the different components of the quantum system, while increasing the fractional parameter enhances the entanglement within the quantum system. Hence, it can be concluded that the fractional parameter plays a crucial role in the observed effects on the studied properties.
Total Synthesis of (+)‐Kalmanol
Authors: Ma Tianhao , Ma Yiming , Li Bo , Jia Yanxing
Published: July 2024

Kalmanol, the flagship member of the kalmane diterpene family, possesses a complex and highly oxidized 5/5/8/5 tetracyclic skeleton with nine contiguous stereocenters and exhibits significant analgesic effects and cardiotoxic properties. We have achieved the efficient total synthesis of (+)‐kalmanol in 22 steps with 2.3 % yield. The synthesis featured a Rh‐catalyzed [5+2+1] cycloaddition reaction to construct 5/5/8 tricyclic skeleton, and a meticulously designed sequence of stereoselective oxidations of the 5/5/8/5 tetracyclic skeleton.
Synthesis of Thiol Functionalized MOF‐808 and its Efficiency for Mercury Removal
Authors: Ahmed Khaled H. , Saleh Tawfik A. , Abdulazeez Ismail , Asmaly Hamza A.
Published: July 2024

A thiol‐functionalized MOF‐808 was produced and used to remove mercury by post‐synthetic modification using 6‐mercaponicotinic acid (6mna). Parent MOF‐808 was impregnated for varied periods in the 6mna solution to create modified MOF‐808 materials, known as MOF‐808‐6mna‐x, where x refers to the impregnation time. Diffraction and several spectroscopic techniques were employed to quantify and confirm the coordination of 6mna into MOF‐808 framework. The amount of grafted 6man and the ability for adsorption of mercury (Hg) was shown to be linearly associated; the functionalized MOF‐808‐6mna‐36 demonstrated improved Hg(II) removal, with an adsorption capacity of 250 mg/g.
Synthesis of Spirocyclic‐1,3‐Indandione Containing‐Cyclopentenones and ‐Benzotropones
Authors: Mishra Gitanjali , Yazhinimuthu C. M. , Thirupathi Barla
Published: July 2024

Synthesis of functionalized 1,3‐indandiones containing‐cyclopentenones and ‐benzotropones has been achieved by the reaction of 1,5‐diphenylpenta‐1,4‐diyn‐3‐ones with 1,3‐indandiones, bindone respectively. The developed method involves Michael‐anti‐Michael addition cascade reactions under transition‐metal‐free conditions. This is the first report to synthesise diverse benzotropone fused with 1,3‐indandiones under transition metal‐free conditions from bindone.
Biotransformation of rifampicin by Aspergillus niger and antimicrobial activity of proposed metabolites
Authors: Sponchiado Rafaela Martins , Sorrentino Júlia , Cordenonsi Letícia , Fuentefria Alexandre Meneghello , Dallegrave Alexandro , Steppe Martin , Mendez Andreas Sebastian Loureiro , Puton Bruna Maria Saorin , Cansian Rogério Luis , Garcia Cássia Virginia
Published: July 2024

Drug biotransformation studies emerges as an alternative to pharmacological investigations of metabolites, development of new drug candidates with reduced investment and most efficient production. The present study aims to evaluate the capacity of biotransformation of rifampicin by the filamentous fungus Aspergillus niger ATCC 9029. After incubation for 312 h, the drug was metabolized to two molecules: an isomer (m/z 455) and the rifampicin quinone (m/z 821). The monitoring of metabolite formation was performed by high‐performance liquid chromatography, followed by their identification through ultra‐high‐performance liquid chromatography coupled to tandem mass spectrometer. In vitro antimicrobial activity of the proposed metabolites was evaluated against Staphylococus aureus microorganism, resulting in the loss of inhibitory activity when compared with the standards, with minimum inhibitory concentration of 7.5 μg/ml. The significant biotransformation power of the ATCC 9029 strain of A. niger was confirmed in this study, making this strain a candidate for pilot studies in fermentation tanks for the enzymatic metabolization of the antimicrobial rifampicin. The unprecedented result allows us to conclude that the prospect of new biotransforming strains in species of anemophilic fungi is a promising choice.
Long‐term outcome of definitive radiotherapy for locally advanced non‐small cell lung cancer: A real‐world single‐center study in the pre‐durvalumab era
Authors: Zhu Hong , Xu Yi , Gao Huiquan , Fan Xingwen , Fan Ming , Zhao Kuaile , Yang Huanjun , Zhu Zhengfei , Wu Kailiang
Published: July 2024

Background

There was limited research data on large‐scale locally advanced non‐small cell lung cancer (LA‐NSCLC) radical radiotherapy (RT) reported in China. This study examined overall survival (OS), progression‐free survival (PFS), treatment effectiveness, and toxicity in patients with LA‐NSCLC treated with definitive RT in the pre‐durvalumab era.

Methods

A retrospective analysis of demographic information, clinical characteristics, treatment patterns, and clinical outcomes of 789 patients with LA‐NSCLC who underwent radical RT at our center between January 2005 and December 2015 was performed. The Kaplan–Meier method and log‐rank test were used for survival comparisons, and Cox regression was used for multivariate analysis.

Results

There were 328 patients with stage IIIA disease and 461 with stage IIIB disease. By the last follow‐up, there were 365 overall deaths and 576 cases of recurrence, metastasis, or death. The median survival time was 31 months. The OS rates at 1, 2, 5, and 10 years were 83.7%, 59.5%, 28.8%, and 18.9%, respectively. PFS rates at 1, 2, 5, and 10 years were 48%, 24.5%, 11.9%, and 5.5%, respectively. Rates of ≥grade 3 acute radiation pneumonitis or esophagitis were 7.6% and 1.9%, respectively. Rates of ≥grade 3 chronic radiation pneumonitis and esophagitis were 11% and 0.4%, respectively. Multivariate analysis showed that the Karnofsky Performance Status (KPS) score, smoking status, and combined chemotherapy were prognostic factors for OS (p < 0.05). Multivariate analysis revealed that combined chemotherapy and radiation dose were prognostic factors for PFS (p < 0.05).

Conclusions

Our center's data showed that the survival prognosis of locally advanced patients receiving RT and chemotherapy in China was consistent with international levels during the same period. Patients with a KPS score of 80 or higher, who had never smoked or received combined RT, had a more favorable prognosis than those with a KPS of less than 80, who had smoked, or only received RT. The combination of RT and chemotherapy, with a reasonable radiation dose, was the key to improving the therapeutic effect.
Network‐Based Drug Repurposing and Genomic Analysis to Unveil Potential Therapeutics for Monkeypox Virus
Authors: Rabaan Ali A. , Alfaresi Mubarak , Alrasheed Hayam A , Al Kaabi Nawal A. , Abduljabbar Wesam A. , Al Fares Mona A. , Al‐Subaie Maha F. , Alissa Mohammed
Published: July 2024

The emergence of the human monkeypox virus (MPXV) and the lack of effective medications have necessitated the exploration of various strategies to combat its infection. This study employs a network‐based approach to drug discovery, utilizing the BLASTn and phylogenetic analysis to compare the MPXV genome with those of 18 related orthopoxviruses, revealing over 75 % genomic similarity. Through a literature review, 160 human‐host proteins linked to MPXV and its relatives were identified, leading to the construction of a human‐host protein interactome. Analysis of this interactome highlighted 39 central hub proteins, which were then examined for potential drug targets. The process successfully revealed 15 targets already approved for use with medications. Additionally, the functional enrichment analysis provided insights into potential pathways and disorders connected with these targets. Four medications, namely Baricitinib, Infliximab, Adalimumab, and Etanercept, have been identified as potential candidates for repurposing to combat MPXV. In addition, the pharmacophore‐based screening identified a molecule that is comparable to Baricitinib and has the potential to be effective against MPXV. The findings of the study suggest that ZINC22060520 is a promising medication for treating MPXV infection and proposes these medications as potential options for additional experimental and clinical assessment in the battle against MPXV.
Enzyme Inhibitory Activities, Phenolic Profile, and In Silico Studies of Sorbus torminalis Tree Bark Methanol Extract
Authors: Radović Selgrad Jelena , Milutinović Violeta , Suručić Relja , Samardžić Stevan , Kopanja Đurđica , Kundaković‐Vasović Tatjana
Published: July 2024

The different parts of Sorbus torminalis (L.) Crantz are used in traditional medicine for various conditions such as cardiac diseases, cough, and diabetes, indicating its significant medicinal potential. Therefore, the current investigation aimed to reveal the phenolic composition of the poorly studied S. torminalis methanol extract of the bark, as well as its capacity to inhibit enzymes relevant to cardiovascular, neurodegenerative, and metabolic diseases. A total of 28 phenolic components, including 20 procyanidins aglycones (A‐ and B‐type), four procyanidin glycosides, catechin and its glycoside, and two (epi)catechin derivatives, were detected using LC–MS. The contents of total polyphenols (6.22 %), total tannins (3.04 %), condensed tannins (0.70 %), and total flavonoids (0.24 %) were determined spectrophotometrically, highlighting the considerable phenolic richness of the examined plant material. The concentration‐dependent ability to inhibit α‐amylase (IC50=130 μg /mL), α‐glucosidase (IC50=312.13 μg /mL), acetylcholinesterase (IC50=156.46 μg /mL), butyrylcholinesterase (IC50=217.68 μg /mL), and angiotensin‐converting enzyme (IC50=36.77 μg /mL) was demonstrated in vitro. The in silico approach showed that catechin, procyanidin B2 and C1, S. torminalis bark constituents, can form stable complexes with the target enzymes but with different binding affinity. The results supported the medicinal potential of S. torminalis bark and significantly expanded our knowledge of its chemistry, justifying further research.
Full‐house nephropathy in antinuclear antibody‐negative systemic lupus erythematosus: A case report
Authors: Dhungana Reechashree , Bashyal Bibhav , Paudel Sagar , Shrestha Bibek , Jha Saket , Bhurtyal Nishan
Published: July 2024

Key Clinical Message

Antinuclear antibody‐negative full‐house lupus nephritis though previously reported, is fairly uncommon. Some patients go on to develop antibodies later in the disease course. The presence of RO‐52 antibody in this case suggests an underlying immunological cause. Swift management based on strong clinical suspicion can be life‐saving to the patient.

Lupus nephritis (LN) is a serious complication of systemic lupus erythematosus (SLE) and is more likely to progress to end‐stage renal disease (ESRD). With the recent EULAR/ACR criteria mandating antinuclear antibody (ANA) positivity as an entry criterion, clinicians are faced with a diagnostic dilemma in diagnosing cases of seronegative SLE. We present the case of a 25‐year‐old female who presented with photosensitive malar rash, hair loss, oral ulcers, menorrhagia, and kidney dysfunction, suggestive of SLE. Her ANA tests were negative, raising doubts about the diagnosis. Biopsy was delayed owing to anemia and thrombocytopenia, and clinical judgment led to the patient being diagnosed with LN, with prompt treatment resulting in significant improvement. Renal biopsy subsequently confirmed the case as diffuse class IV LN with full‐house nephropathy. This case highlights the limitations of relying solely on ANA positivity in diagnosing LN and underscores the need for a comprehensive diagnostic approach for SLE that incorporates clinical features, immunological markers, and patient demographics. ANA‐negative SLE patients demand heightened clinical suspicion, especially when other diagnostic parameters align with the disease. Swift intervention with immunosuppressive therapy, as seen in this case, can be life‐saving.
Determination of Tetracaine and Oxymetazoline in Drugs and Saliva via Potentiometric Sensor Arrays Based on Fluoropolymer/Polyaniline Composites
Authors: Parshina Anna , Yelnikova Anastasia , Shimbareva Valeria , Komogorova Alla , Yurova Polina , Stenina Irina , Bobreshova Olga , Yaroslavtsev Andrey
Published: July 2024

A growing interest in dental practice in intranasal anesthesia using tetracaine and oxymetazoline dictates the need for their simultaneous determination in combination drugs and human saliva. Potentiometric multisensory systems based on perfluorosulfonic acid membranes, including polyaniline‐modified ones, were developed for these purposes. A change in the distribution of the sensor sensitivity to the related analytes was achieved by variation of the conditions for concentration polarization at the membrane interface with a studied solution due to a change in the intrapore volume, nature, and availability of the sorption centers, as well as the hydrophilicity of the membrane surface that were specified by the conditions for their synthesis and subsequent hydrothermal treatment. Reversibility of the analyte sorption using the chosen conditions for regeneration provided long‐term stable work of both the sensors and the calibration equations established by multivariate linear regression. The membrane modification promoted their resistance to fouling. The relative errors of the simultaneous tetracaine and oxymetazoline determination in the combination drug solutions were no greater than 7% and 11%, while in the artificial saliva solutions, they were 15% and 17%, respectively, when an array of the cross‐sensitive sensors based on the composite membranes prepared by different methods was used. The analysis errors were reduced to 3%–6% when analyzing the drug and to 0.2%–6% when analyzing the artificial saliva if an array was organized with the sensors based on the membrane with the dopant and the membrane without it, due to the decreasing correlation between their responses.
Prediction of Flash Point of Materials Using Bayesian Kernel Machine Regression Based on Gaussian Processes With LASSO‐Like Spike‐and‐Slab Hyperprior
Authors: Jeong Keunhong , Hyun Nam Ji , Lee Seul , Koo Jahyun , Lee Jooyeon , Yu Donghyun , Jo Seongil , Kim Jaeoh
Published: July 2024

The determination of flash points is a critical aspect of chemical safety, essential for assessing explosion hazards and fire risks associated with flammable solutions. With the advent of new chemical blends and the increasing complexity of chemical waste management, the need for accurate and reliable flash point prediction methods has become more pronounced. This study introduces a novel predictive approach using Bayesian kernel machine regression (BKMR) with Gaussian process priors, designed to meet the growing demand for precise flash point estimation in the context of chemical safety. The BKMR model, underpinned by Bayesian statistics, offers a comprehensive framework that not only quantifies prediction uncertainty but also enhances interpretability amidst experimental data variability. Our comparative analysis reveals that BKMR surpasses traditional predictive models, including support vector machines, kernel ridge regression, and Gaussian process regression, in terms of accuracy and reliability across multiple metrics. By elucidating the intricate interactions between molecular features and flash point properties, the BKMR model provides profound insights into the chemical dynamics that influence flash point determinations. This study signifies a methodological leap in flash point prediction, offering a valuable tool for chemical safety analysis and contributing to the development of safer chemical handling and storage practices.
Computer‐Aided Synthesis Planning (CASP) and Machine Learning: Optimizing Chemical Reaction Conditions
Authors: Han Yu , Deng Mingjing , Liu Ke , Chen Jia , Wang Yuting , Xu Yu‐Ning , Dian Longyang
Published: July 2024

Computer‐aided synthesis planning (CASP) has garnered increasing attention in light of recent advancements in machine learning models. While the focus is on reverse synthesis or forward outcome prediction, optimizing reaction conditions remains a significant challenge. For datasets with multiple variables, the choice of descriptors and models is pivotal. This selection dictates the effective extraction of conditional features and the achievement of higher prediction accuracy. This review delineates the origins of data in conditional optimization, the criteria for descriptor selection, the response models, and the metrics for outcome evaluation, aiming to acquaint readers with the latest research trends and facilitate more informed research in this domain.
Elaborating the Fluorescence Regulation and Quenching Mechanism of Sulfur‐for‐Oxygen Replacement for Fluorophores
Authors: Tang Zhe , Zhou Panwang
Published: July 2024

Thio‐caged fluorophores can be effectively desulfurized into their oxygenated derivatives through visible light, thereby restoring the strong emission of fluorophores, and are applied in the field of live cell super‐resolution imaging. Herein, we theoretically investigated the reasons for the low fluorescence quantum yields of a series of thio‐caged fluorophores and the underlying reasons for the differences in fluorescence quantum yields of their oxygenated derivatives. The calculation results show that the S atom on the thiocarbonyl group is more likely to excite n electrons to form the nπ* state, which reduces the energy of the nπ* state and leads to fluorescence quenching. In contrast, the O atom on the carbonyl group is more likely to excite π electrons to form ππ* state, which is the main reason for restoring the strong emission of fluorophore. Meanwhile, the calculation results show that the difference of fluorescence intensity caused by oxygenated derivatives is determined by the number of the carbonyl group, which affects the vibronic coupling between ππ* and nπ* states and thereby leads to fluorescence quenching. These results can effectively reveal the fluorescence quenching mechanism of thio‐caged fluorophores and the luminescence mechanism of their oxygenated derivatives, and provide correct and guiding design strategies for the development of new thio‐caged fluorophores.
H+/X− Co‐Transport Driven by Azobenzene Containing Aromatic Amides
Authors: Malik Sameer Ahmad , Madhavan Nandita
Published: July 2024

Natural ion‐transporters in cellular membranes play a critical role in maintaining cell homeostasis. Synthetic ion‐transporters are attractive model systems for understanding and addressing dysfunction of natural transporters. Herein, a simple amide derived from azobenzene and m‐aminobenzoic acid achieves photoregulated ion transport across lipid membranes. The amide forms pores or channels that selectively co‐transport H+/X− across the lipid membrane. Photoisomerization from the trans to cis form results in a 2‐fold increase in ion‐transport rates due to the higher proton affinity of the cis isomer.
Modeling the enablers of implementing green HRM practices: An ISM‐MICMAC approach
Authors: Ansari Fariya Akbar , Haque Syed Nadimul , Khan Shahbaz , Khan Waseem
Published: July 2024

The goal of this study is to identify the set of enablers that influence the implementation of green human resource management (GHRM) practices in the organization and understand mutual relationships among these enablers. The research used interpretive structural modeling (ISM), a method based on expert opinions. We recorded the opinions of experienced academicians and human resources professionals with the aim of drawing conclusions. The driving and dependent power of these factors has also been investigated using Matrice d'impacts croises multiplication applique a classement (MICMAC) analysis. This research work reveals that the primary enabler of GHRM is green government policy, specifically environmental policies, with green leadership, top management support, and green health and safety following closely behind. Green recruitment and selection, green organization culture, green brand image, and green training and development have all reached the third level of the hierarchy. The findings could aid in gaining a comprehensive understanding of these essential enablers, their contextual factors, and the cause‐and‐effect relationships involved in implementing GHRM practices in any given organization. While designing the GHRM implementation strategy, organizations should place emphasis on all the enablers to improve organizational performance.