bluuebunny/crossref_metadata_2025_split huggingface dataset:
Antimicrobial Evaluation, Molecular Docking and ADME Properties of
Indole Amide Derivatives
Authors: Doğanay Derya , Özcan Sevval M. , Şentürk Ahmet M. , Ölgen Süreyya 
Published: October 2021

Background:
Besides the viral infections, bacterial infections can cause serious and lifethreatening
complications and drug resistance is an important problem to fight bacterial infections. Therefore,
it is important to discover novel antimicrobial agents to fight such infections.

Objective:
Several indole containing antimicrobial drug development studies have been reported in literature
that provided strong evidence for good antimicrobial activities against a variety of microorganisms.
Taken into consideration from these findings, antimicrobial properties of previously synthesized 16 indole
amide derivatives were evaluated by in vitro tests against 14 different microorganisms, and also molecular
docking and in silico prediction studies were used to identify structure-activity relationship of compounds.

Methods:
Antimicrobial activity of compounds was determined by disc diffusion and tube dilution methods.
Molecular docking of compounds was studied to determine the relationship between the structure of
compounds with DNA gyrase interactions of microorganisms by using the version of Autodock vina
4.2.6. Mol inspiration and Swiss ADME prediction online software programs were also used to identify
drug-like properties of compounds.

Results:
The results showed that some compounds exhibited quite pronounced antibacterial and antifungal
activities compared to reference drugs. These results were also supported by molecular docking studies
and in silico ADME calculations presented that all tested compounds obey Lipinski’s Rule of Five and
are metabolized by CYP450 enzymes.

Conclusion:
It can be concluded that these results can be taken as a reference in the development of new
indole-based antimicrobial agents.
Discovery of Novel Cytochrome bc1 Complex Inhibitor Based on Natural
Product Neopeltolide
Authors: Chen Tao , Zhang Rui , Wang Yu-Xia , Gao Meng-Qi , Chen Qiong , Zhu Xiao-Lei , Yang Guang-Fu 
Published: October 2021

Background:
Natural products (NPs) are important sources for the design of new drugs and
agrochemicals. Neopeltolide, a marine NP, has been identified as a potent Qo-site inhibitor of cytochrome
bc1 complex.

Methods:
In this study, a series of neopeltolide derivatives was designed and synthesized by the simplification
of its 14-membered macrolactone ring with a diphenyl ether fragment. The enzymatic inhibition
bioassays and mycelium growth inhibition experiments against a range of fungi were performed to determine
their fungicidal activities.

Results:
The derivatives have potent activity against the porcine bc1 complex. Compound 8q showed the
best activity with an IC50 value of 24.41 nM, which was 8-fold more effective than that of positive control
azoxystrobin. Compound 8a exhibited a 100% inhibitory rate against Zymoseptoria tritici and Alternaria
solani at a 20 mg/L dose.

Conclusion:
Computational results indicated that compounds with suitable physicochemical properties,
as well as those forming a hydrogen bond with His161, would have good fungicidal activity. These data
could be useful for the design of bc1 complex inhibitors in the future.
Role of the Osteochondral Unit in the Pathogenesis of Osteoarthritis: Focus on the Potential Use of Clodronate
Authors: Molfetta Luigi , Casabella Andrea , Rosini Sergio , Saviola Gianantonio , Palermo Augusto 
Published: October 2021

:Osteoarthritis (OA) is a chronic disease characterized by inflammation and progressive deterioration of the joint. The etiology of OA includes genetic, phlogistic, dismetabolic and mechanical factors. Historically, cartilage was considered the target of the disease and therapy was aimed at protecting and lubricating the articular cartilage. The osteochondral unit is composed of articular cartilage, calcified cartilage, and subchondral and trabecular bone, which work synergistically to support the functional loading of the joint. Numerous studies today show that OA involves the osteochondral unit, with the participation therefore of the bone in the starting and progression of the disease, which is associated with chondropathy. Cytokines involved in the process leading to cartilage damage are also mediators of subchondral bone edema. Therefore, OA therapy must be based on the use of painkillers and bisphosphonates for both the control of osteometabolic damage and its analgesic activity. Monitoring of the disease of the osteochondral unit must be extensive, since bone marrow edema can be considered as a marker of the evolution of OA. In the present review, we discuss some of the pathogenetic mechanisms associated with osteoarthritis, with a particular focus on the osteochondral unit and the use of clodronate.
MicroRNAs: Crucial Players in the Differentiation of Human Pluripotent
and Multipotent Stem Cells into Functional Hepatocyte-Like Cells
Authors: Wu Liying , Farzaneh Maryam , Xu Hao , Yuan Guojia , Liang Xiaolu , Liu Xiaoguang , Li Zuobiao , Chen Nianping 
Published: October 2021

:
Hepatic disease negatively impacts liver function and metabolism. Primary human hepatocytes
are the gold standard for the prediction and successful treatment of liver disease. However,
the sources of hepatocytes for drug toxicity testing and disease modeling are limited. To overcome
this issue, pluripotent stem cells (PSCs) have emerged as an alternative strategy for liver disease
therapy. Human PSCs, including embryonic stem cells (ESC) and induced pluripotent stem cells
(iPSC) can self-renew and give rise to all cells of the body. Human PSCs are attractive cell sources
for regenerative medicine, tissue engineering, drug discovery, and developmental studies. Several
recent studies have shown that mesenchymal stem cells (MSCs) can also differentiate (or trans-differentiate)
into hepatocytes. Differentiation of human PSCs and MSCs into functional hepatocytelike
cells (HLCs) opens new strategies to study genetic diseases, hepatotoxicity, infection of hepatotropic
viruses, and analyze hepatic biology. Numerous in vitro and in vivo differentiation protocols
have been established to obtain human PSCs/MSCs-derived HLCs and mimic their characteristics.
It was recently discovered that microRNAs (miRNAs) play a critical role in controlling the ectopic
expression of transcription factors and governing the hepatocyte differentiation of human
PSCs and MSCs. In this review, we focused on the role of miRNAs in the differentiation of human
PSCs and MSCs into hepatocytes.
Does a Nursing Associate Programme Team Work and Leadership Module Make a Difference to Student Nursing Associate Self-reported Leadership Skills? A Mixed-methods Study
Authors: Williamson Graham , Maund Beverley , Knowles Sandy 
Published: October 2021

Background:
Leadership is an essential element in the skills of healthcare professionals at all levels. This is true for Registered Nurses as well as Nursing Associates, who are registered professionals with a two-year foundation degree programme as role preparation.

Objective:
This paper reports a study examining potential gains that might accrue from leadership and team-working module in year two of the Nursing Associate Foundation Degree programme at one university in the South West of England.

Methods:
We conducted a mixed-methods study in the summer of 2020, with a pre- and post-module survey using the Student Leadership Inventory – Self, and a virtual focus group on the video conferencing software Zoom ™.

Results:
The survey results showed a statistically significant difference between Student Nurse Associates’ scores before and after the module, with a moderate effect size. The virtual focus group confirmed benefits that included growing personal confidence amongst those that attended and that they could identify leadership styles and team dynamics in practice.

Conclusion:
As effective leadership is associated with patient safety and quality of care, we conclude that not only has this module been effective, but also that such preparation for practice can have important real-world impacts beyond the classroom.
Pain Assessment and Management in Intensive Care Unit: Nurses' Practices, Perceived Influencing Factors, and Educational Needs
Authors: Alnajar Malek Kh. , Shudifat Raed , Mosleh Sultan M. , Ismaile Samantha , N'erat Monther , Amro Khadijah 
Published: October 2021

Background:
Critically ill patients and those mechanically ventilated or unable to communicate may not be able to report any pain they experience. Consequently, pain assessment and management (PAM) is challenging and underestimated in intensive care units (ICUs), where patients suffer alteration of consciousness, sedation, invasive procedures and mechanical ventilation.

Aim:
This study aimed to investigate ICU nurses’ PAM practices, their perceptions of influencing factors, and their related educational needs.

Methods:
A descriptive cross-sectional design was employed, using a valid self-reported questionnaire.

Results:
Among the sample of 171 nurses, 55% were male and 83% held a bachelor’s degree. 60% reported performing pain assessment for patients able to report pain and 50% for those unable to do so. Almost 40% of participants reported that pain management plans and scores were not discussed in medical rounds. Workload and lack of guidelines were reported as the most common barriers to PAM, while the most common enablers were perceived to be prescribing analgesia and considering pain a priority. Nurses recognized the need for education regarding pain, especially the physiological (50%) and psychological (47%) consequences of untreated pain.

Conclusion:
Nurses’ reported performance of pain assessment for ICU patients remains suboptimal. Therefore, healthcare professionals, organizations, nursing schools, and policymakers should work together to improve nurses’ PAM knowledge and practices.
Adequate Intake and Supplementation of B Vitamins, in Particular Folic
Acid, can Play a Protective Role in Bone Health
Authors: Rondanelli Mariangela , Tartara Alice , Fossari Federica , Vecchio Viviana , Faliva Milena Anna , Naso Maurizio , Perna Simone , Nichetti Mara , Peroni Gabriella 
Published: October 2021

:
In vitro and animal model studies have shown that vitamin B (VB) deficiency has negative
consequences on bone as a result of direct or mediated activity of hyperhomocysteinemia.
However, there are still no precise indications regarding a possible VB role in order to maintain
bone health. So, the aim of this narrative review was to consider state of the art correlation between
VB dietary intake, blood levels and supplementation and bone health (bone mineral density
(BMD), bone turnover markers and fractures risk) in humans. This review includes 29 eligible
studies.
Considering VB blood levels, the 14 studies considered have shown that low serum folate can be a
risk factor for reduced BMD and fractures in the elderly, particularly women; no independent association
was found for other VB. Studies that evaluate the relationship between VB dietary intake
and BMD are only 2; one, conducted on 1869 women, demonstrated a positive effect of folate intake
on BMD. Another demonstrated a dose-dependent inverse relationship between vitamin B6
dietary intake and risk of hip fracture, but only for 35298 female participants.
Regarding the relationship between BV supplementation and bone health (9 studies with only VB
and 4 with other nutrients), all studies that considered patients with hyperhomocysteinemia or with
low folate blood levels, are in agreement in demonstrating that folate supplementation (500mcg-
5mg) is useful in improving BMD. In conclusion, a request for folate and homocysteine blood levels
in elderly patients with osteopenia/osteoporosis is mandatory. For patients with
hyperhomocysteinemia or with low folate blood levels, folate supplementation (500mcg-5mg) is
crucial.
Problemática social en salud, vivienda y educación de la comunidad afrodescendiente en el departamento de córdoba Colombia
Authors: Restrepo Jimenez Luis Carlos 
Published: October 2021

Introduction: Afro-Colombian communities in our country have been subjected to violations of their rights for decades, so much so that this phenomenon is reflected in the statistics of the different censuses carried out throughout the territory. Objective: For this reason the objective of this article of reflection seeks to verify the state of the question, taking information from 2005 to 2015, aimed at the entire community in genera getting to know more closely the situation that Af ros are experiencing. in Colombia and the cordoba department , in aspects as relevant as Health, Education, Housing, and then in a second study to verify that so much progress has been made up to the present. Method or methodology: in order to identify the problem, this researcher makes a documentary review and bibliographic consultation of primary and secondary sources that lead to the punch line of the objective. Consequently, as a result, it was possible to bring up the identification of policies, recommendations and causes that different international, state and private organizations have been working on in these aspects in order to design a solution proposal that allows improving the situation of marginality and inclusion of historically the aforementioned communities have been victims. Conclusions and results: Finally, with respect to aspects related to culture, race and customs, these communities continue to be mistreated, a phenomenon that has had an evolutionary behavior in most nations, in what has been human evolution.
Development of a Credible Virtual Clinician Promoting Colorectal Cancer Screening via Telehealth Apps for and by Black Men: Qualitative Study
Authors: Wilson-Howard Danyell , Vilaro Melissa J , Neil Jordan M , Cooks Eric J , Griffin Lauren N , Ashley Taylor T , Tavassoli Fatemeh , Zalake Mohan S , Lok Benjamin C , Odedina Folakemi T , Modave Francois , Carek Peter J , George Thomas J , Krieger Janice L 
Published: October 2021

Background
Traditionally, promotion of colorectal cancer (CRC) screening among Black men was delivered by community health workers, patient navigators, and decision aids (printed text or video media) at clinics and in the community setting. A novel approach to increase CRC screening of Black men includes developing and utilizing a patient-centered, tailored message delivered via virtual human technology in the privacy of one’s home.

Objective
The objective of this study was to incorporate the perceptions of Black men in the development of a virtual clinician (VC) designed to deliver precision messages promoting the fecal immunochemical test (FIT) kit for CRC screening among Black men in a future clinical trial.

Methods
Focus groups of Black men were recruited to understand their perceptions of a Black male VC. Specifically, these men identified source characteristics that would enhance the credibility of the VC. The modality, agency, interactivity, and navigability (MAIN) model, which examines how interface features affect the user’s psychology through four affordances (modality, agency, interactivity, and navigability), was used to assess the presumed credibility of the VC and likability of the app from the focus group transcripts. Each affordance triggers heuristic cues that stimulate a positive or a negative perception of trustworthiness, believability, and understandability, thereby increasing source credibility.

Results
In total, 25 Black men were recruited from the community and contributed to the development of 3 iterations of a Black male VC over an 18-month time span. Feedback from the men enhanced the visual appearance of the VC, including its movement, clothing, facial expressions, and environmental surroundings. Heuristics, including social presence, novelty, and authority, were all recognized by the final version of the VC, and creditably was established. The VC was named Agent Leveraging Empathy for eXams (ALEX) and referred to as “brother-doctor,” and participants stated “wanting to interact with ALEX over their regular doctor.”

Conclusions
Involving Black men in the development of a digital health care intervention is critical. This population is burdened by cancer health disparities, and incorporating their perceptions in telehealth interventions will create awareness of the need to develop targeted messages for Black men.
SMART COVID Navigator, a Clinical Decision Support Tool for COVID-19 Treatment: Design and Development Study
Authors: Suraj Varun , Del Vecchio Fitz Catherine , Kleiman Laura B , Bhavnani Suresh K , Jani Chinmay , Shah Surbhi , McKay Rana R , Warner Jeremy , Alterovitz Gil 
Published: October 2021

Background
COVID-19 caused by SARS-CoV-2 has infected 219 million individuals at the time of writing of this paper. A large volume of research findings from observational studies about disease interactions with COVID-19 is being produced almost daily, making it difficult for physicians to keep track of the latest information on COVID-19’s effect on patients with certain pre-existing conditions.

Objective
In this paper, we describe the creation of a clinical decision support tool, the SMART COVID Navigator, a web application to assist clinicians in treating patients with COVID-19. Our application allows clinicians to access a patient’s electronic health records and identify disease interactions from a large set of observational research studies that affect the severity and fatality due to COVID-19.

Methods
The SMART COVID Navigator takes a 2-pronged approach to clinical decision support. The first part is a connection to electronic health record servers, allowing the application to access a patient’s medical conditions. The second is accessing data sets with information from various observational studies to determine the latest research findings about COVID-19 outcomes for patients with certain medical conditions. By connecting these 2 data sources, users can see how a patient’s medical history will affect their COVID-19 outcomes.

Results
The SMART COVID Navigator aggregates patient health information from multiple Fast Healthcare Interoperability Resources–enabled electronic health record systems. This allows physicians to see a comprehensive view of patient health records. The application accesses 2 data sets of over 1100 research studies to provide information on the fatality and severity of COVID-19 for several pre-existing conditions. We also analyzed the results of the collected studies to determine which medical conditions result in an increased chance of severity and fatality of COVID-19 progression. We found that certain conditions result in a higher likelihood of severity and fatality probabilities. We also analyze various cancer tissues and find that the probabilities for fatality vary greatly depending on the tissue being examined.

Conclusions
The SMART COVID Navigator allows physicians to predict the fatality and severity of COVID-19 progression given a particular patient’s medical conditions. This can allow physicians to determine how aggressively to treat patients infected with COVID-19 and to prioritize different patients for treatment considering their prior medical conditions.
Evaluation of Novel Concentrated Interdisciplinary Group Rehabilitation for Patients With Chronic Illnesses: Protocol for a Nonrandomized Clinical Intervention Study
Authors: Kvale Gerd , Frisk Bente , Jürgensen Marte , Børtveit Tore , Ødegaard-Olsen Øystein Theodor , Wilhelmsen-Langeland Ane , Aarli Bernt Bøgvald , Sandnes Kristina , Rykken Sidsel , Haugstvedt Anne , Hystad Sigurd William , Søfteland Eirik 
Published: October 2021

Background
An aging population with a growing burden of chronic complex illnesses will seriously challenge the public health care system. Consequently, novel and efficacious treatment approaches are highly warranted. Based on our experiences with concentrated treatment formats for other health challenges, we developed a highly concentrated interdisciplinary group rehabilitation approach for chronic illnesses.

Objective
We aim to explore the acceptability of the intervention and describe potential changes in functional impairment at follow-up.

Methods
The cornerstones of the intervention are as follows: (1) prepare the patient for change prior to treatment, (2) focus on health promoting microchoices instead of symptoms, and (3) expect the patient to integrate the changes in everyday living with limited hands-on follow-up. The intervention will be delivered to patients with highly diverse primary symptoms, namely patients with low back pain, post–COVID-19 symptoms, anxiety and depression, and type 2 diabetes.

Results
Recruitment started between August 2020 and January 2021 (according to the illness category). For initial 3-month results, recruitment is expected to be completed by the end of 2021.

Conclusions
If successful, this study may have a substantial impact on the treatment of low back pain, post–COVID-19 symptoms, anxiety and depression, and type 2 diabetes, which together constitute a major socioeconomic cost. Further, the study may widen the evidence base for the use of the concentrated treatment format in a diverse group of medical conditions.

International Registered Report Identifier (IRRID)
DERR1-10.2196/32216