bluuebunny/crossref_metadata_2025_split huggingface dataset:
The portable GC-MS and HS/SPME-GC×GC-TOF MS-Based Analysis of the Difference of Citri Grandis Exocarpium from Different Regions
Authors: Huang Luoxu , Zhou zhen , Li Kaixuan , Wu Manman , Xu Jingwei , Luo Sifan , Luo Jianqun , Tan Guobin 
Published: November 2023

Abstract
In this study, the portable GC-MS and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOF MS) combined with headspace solid-phase microextraction (HS/SPME) combined with chemometric were firstly used to analyze the volatile components of Citri Grandis Exocarpium that were from Huazhou (CGEH) and Guangxi (CGEG), respectively. The results from portable GC-MS only can identified some differences between samples. Compared with results from HS/SPME-GC×GC-TOF MS we found that portable GC-MS could not analyze the mark of CGEH.From identification of GC×GC-TOF MS we got that total 304 chemicals among which 261 were firstly reported were identified. Among them 52 compounds were only detected in CGEH, 81 were unique in CGEG and 171 were in both CGEH and CGEG. The volatile components in CGEH were classified into 17 and CGEG into 19 types. The contents of alkene aromatics, hydrocarbons and alcohols in both CGEH and CGEG were relatively high. These results fully demonstrated the detection ability of GC×GC-TOF MS. Principal Component Analysis (PCA) and Orthogonal Partial Least Squares (OPLS-DA) were performed. The results indicated that there was basically no difference from different batches of the same origin. However, there were obvious differences between CGEH and CGEG. 10 compounds in CGEH were screened out the values of |p(corr)|>0.9, |p|>0.06 and VIP value > 1.1. These results proved portable GC-MS could not find marks of Citri Grandis Exocarpium and GC×GC-TOF MS could find it.
Barriers and facilitators to shared decision-making around antimicrobial prescribing during the end-of-life period: A qualitative study of Veterans, their support caregivers and their providers
Authors: Goedken Cassie Cunningham , Balkenende Erin , Livorsi Daniel , Giannitrapani Karleen , McCaa Matthew , Clore Gosia , Goto Michihiko , Marra Alexandre R. , Perencevich Eli N. 
Published: November 2023

Abstract
Background: Antimicrobials are frequently used for palliation during end-of-life care, but adverse effects, such as antimicrobial resistance, are a concern. Shared decision-making is beneficial in end-of-life care conversations to help align antimicrobial prescribing with patient preferences. However, there is limited data on barriers and facilitators to incorporating antimicrobial prescribing discussions into shared decision-making conversations. We explored healthcare provider, patient, and support caregiver (e.g., family member or friend) perceptions of barriers and facilitators to discussing antimicrobial prescribing during the end-of-life period.
Methods: We conducted semi-structured interviews at one acute-care and one long-term care facility and performed thematic content analysis. Fifteen healthcare provider and 13 palliative care/hospice care patients/support caregivers were interviewed focusing on attitudes/beliefs about antimicrobial prescribing during end-of-life patient care.
Results: Qualitative interviews revealed that providers recognize the potential benefit of leveraging shared decision-making to guide antimicrobial-prescribing decisions. Barriers included limited face-to-face time with the patient and uncertainty of end-of-life prognosis. Patients/support caregivers cited trust, comprehension, and feeling heard as important characteristics which act as facilitators in fostering effective shared decision-making around antimicrobial use. Communication in which providers ensure patients are involved in shared decision-making discussions could be increased to ensure patients and their providers develop a mutually agreeable care plan.
Conclusions: Shared decision-making is a practice that can guide antimicrobial-prescribing decisions during end-of-life care and, in turn, potentially minimize antimicrobial-related adverse effects. Our findings highlight an opportunity for increased shared decision-making around antimicrobial use during end-of-life care. Interventions designed to address the identified barriers to shared decision-making have potential to improve antimicrobial prescribing practices at end-of-life.
Grasping pose detection based on self-attention and convolutional neural networks
Authors: Pu Quan-cheng , Xu Xiang-rong , Zhang Hui 
Published: November 2023

Abstract

To address the challenges commonly encountered in existing robotic arm grasping networks, this study introduces a lightweight grasping pose detection network, SA-Grasp. This network employs a deep convolutional neural network as its backbone structure, utilizes the Coordinate Attention to suppress the interference of irrelevant information, and incorporates a self-attention module to aggregate global image information. Experimental results demonstrate that SA-Grasp achieves impressive grasping detection accuracies of 98.37% and 97.19% on the image-wise and object-wise subsets of the Cornell dataset, respectively, and a grasping detection accuracy of 96.33% on the Jacquard dataset. Furthermore, the network requires a mere 21 ms to detect a single image. When applied to a real-world planar grasping experimental platform for 180 grasping experiments across nine types of objects, SA-Grasp achieves a grasping success rate of 94.44%, thereby verifying its reliability.
Takotsubo cardiomyopathy in locally advanced rectosigmoid junction cancer: a case report
Authors: Alekseev I. E. , Lysovolenko N. L. , Gavrilyuk E. V. , Khvostovoi V. V. , Lazareva N. V. , Bykanova А. M. , Grebenkin E. N. , Stanoevich I. V. 
Published: November 2023

Background. takotsubo cardiomyopathy (tcm) occurs more frequently in cancer patients than in the general population. The triggers for tcm in cancer patients include not only the inflammatory state of the cancer itself, but also the significant emotional stress of a cancer diagnosis and the physical stress associated with invasive diagnostic and treatment procedures.Case presentation. We describe the case of a 54-yearold woman with histologically verified rectosigmoid junction cancer (cT4bcN2M0) complicated by acute intestinal obstruction. In the early postoperative period, a sudden drop in blood pressure, t-wave inversion and Qt-interval prolongation on ecg, decrease in the left ventricle contractility and presence of wall motion abnormalities on echocardiography (ecHo), as well as an increase in biomarkers of myocardial damage were initially regarded as acute coronary syndrome, which was subsequently excluded according to the findings of coronary angiography, which did not reveal coronary artery obstruction. taking into account the rapid and complete inverse dynamics of changes, acute myocardial infarction without coronary artery obstruction and acute myocarditis were excluded. Ultimately, the diagnosis of takotsubo cardiomyopathy was established.Conclusion. this case report indicates that cancer can be a trigger for the development of tcm; therefore, the assessment of cardiological status and timely detection of cardiac complications in cancer patients during cancer treatment is extremely important and is aimed at increasing the overall survival in this category of patients.
Robotic surgery in the treatment of oropharyngeal cancer: a case report
Authors: Saprina O. A. , Kropotov M. A. , Zanozina E. A. 
Published: November 2023

Background. The incidence of HpV-associated oropharyngeal squamous cell carcinoma (oscc) is steadily increasing. given the better prognosis in patients with HpV-positive cancer compared to HpV-negative cancer, attempts were made to reduce the therapeutic effect in patients with early-stage oscc to improve the quality of life of these patients. early-stage oscc can currently been treated with radiation therapy or surgery used alone or in combination. Currently, the concept of transoral surgery includes both transoral laser microsurgery and robot-assisted surgeries (da Vinci, medrobotics Flex system). Case description. We report a case of using the da Vinci robot-assisted system in the combined modality treatment of oropharyngeal cancer. The patient underwent surgery followed by chemoradiotherapy. At a follow-up of 10 months, no evidence of disease progression was found. The patient experienced no any pain on swallowing.Conclusion. The use of the da Vinci robot-assisted surgical system in the combined modality treatment of oropharyngeal cancer, especially in such a hard-to-reach area as the root of the tongue, makes it possible to better visualize and determine the boundaries of the lesion, followed by en block resection, as well as to improve functional and aesthetic results. However, careful selection of patients for this type of treatment is necessary.
The features of PD-L1 expression in tumor stromal cells, peritumoral microvessels and isolated clusters of tumor cells in breast cancer tissue and their correlation with clinical and morphological characteristics of breast cancer
Authors: Zubareva E. Yu. , Senchukova M. A. , Karmakova T. A. , Zaitsev N. V. 
Published: November 2023

Objective: to study the features of PD-L1 expression in tumor stromal cells, peritumoral microvessels, and isolated clusters of tumor cells in breast cancer (Bc) tissue and their correlation with the clinical and morphological characteristics of Bc.Material and Methods. The study included 158 patients with newly diagnosed invasive BC. PD-L1 expression was studied by immunohistochemistry. statistical analysis was performed using statistica 12.0 software.Results. PD-L1 expression in peritumoral microvessels occurred in 41.4 and 61.7 % of cases with t1–2 and T3–4 (p=0.020), and in 39.8 and 51.7 % of cases with N0–1 and N2–3 (p=0.008), respectively. In isolated clusters of tumor cells, the marker expression was observed in 28.0 and 52.5 % of cases in nodular and diffuse forms of BC (p=0.005); in 25.9, 39.3 and 66.7 % of cases at stages I–IIb, IIIa–IIIc and IV (p=0.011); in 30.3, 26.2, 40.0 and 52.5 % of cases in T1, T2, T3 and T4 (p=0.040); and in 28.2 and 45.5 % of cases in N0–1 and N2–3 (p=0.030), respectively. Nuclear expression of PD-L1 was also detected in stromal cells, and was observed in 28.8 and 55.0 % of cases with nodular and diffuse forms of BC (p=0.003), in 17.6, 52.5 and 75.0 % of cases in early, locally advanced and metastatic BC (p<0.001), in 21.2, 28.7, 80.0 and 55.0 % of cases in T1, T2, T3 and T4 (p=0.002), in 21.7, 35.3, 51.4 and 55.0 % of cases with N0, N1, N2 and N3 (p=0.005), in 49.0 and 29.0 % of cases with negative and positive status of PR (p=0.014), in 30.3 and 52.8 % of cases with HER2-negative and HER2-positive BC status (p=0.014), respectively.Conclusion. The data indicate the relationship between PD-L1 expression and BC progression. The determination of PD-L1 expression in peritumoral microvessels and isolated tumor cell clusters, as well as nuclear expression of the marker, can be used to clarify the prognosis of the disease.
Integrating local solar energy and water recovery: Operating experiences of a systemic approach
Authors: Gillblad Thomas , Olsson Gustaf 
Published: November 2023

Abstract

The key message is the importance of a systemic approach to handling water and energy together, both in design and in operation. The paper demonstrates how renewable energy, solar photovoltaic (PV) and solar thermal, in combination with a small nutrient removal plant, provides a reliable solution for small-scale decentralized water recovery operations. The system is automated and can operate outside the power grid and is designed to be a fully circular system in terms of both energy and water. The system has been installed on an island in the archipelago outside Stockholm, Sweden, to replace an old-fashioned septic tank. The effluent must satisfy rather strict effluent quality criteria for the Baltic Sea. The paper describes design considerations, instrumentation aspects, automation features, and operation experiences.
Comparative analysis of gridded rainfall datasets over the Bagmati river basin, India
Authors: Kumar Ajit , Singh Vivekanand 
Published: November 2023

Abstract

In this study, three high-resolution gridded rainfall datasets, viz., Integrated Multi-Satellite Retrievals for Global Precipitation Measurement (IMERG), Modern-Era Retrospective Analysis for Research and Applications 2 (MERRA-2), and Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks (PERSIANN) have been collected, analyzed, and compared against the ground-based observed rain gauge datasets of Indian Meteorological Department (IMD) of the Bagmati river basin from 2001 to 2014 in the Bihar State of India. Comparison analyses were performed at daily, monthly, seasonal, and annual time scales. Various statistical parameters, contingency tests, trend analysis, and rainfall anomaly index were used for comparison of datasets. Though MERRA-2 had the highest probability of detection (POD) and lowest false alarm ratio (FAR), analysis showed that IMERG data were closely matching with the observed data, whereas MERRA-2 and PERSIANN underestimated the extreme values. For the monthly scale, again IMERG had the most optimal Coefficient of Determination (R2) and Nash-Sutcliffe Efficiency (NSE) values. IMERG also performed well in detecting rainfall trends and identifying wet and dry years. Overall, IMERG was the most suitable dataset at all time scales for future studies in the basin.
Influence of seasonality on the physical-chemical properties of water for human consumption by residents of floating villages in the interior of the Amazon
Authors: Corrêa Lima Chamy Michel Nasser , Guimarães Patrícia dos Santos , Poveda Vanessa de Brito 
Published: November 2023

Abstract

The aim of this study was to evaluate the physicochemical properties of the water consumed by residents of floating houses and the influence of the hydrological cycles of flood and drought on these parameters. The sample consisted of 44 floating domestic units per hydrological cycle, located on the edges of the cities of Codajás, Coari and Tefé. Sociodemographic data and data related to water consumption and storage habits were collected using a semi-structured questionnaire. Water samples were collected and analyzed in accordance with the Standard Methods for the Examination of Water and Wastewater. Data were analyzed in the dry and flood hydrological phases and compared to the maximum values allowed by Ordinance GM/MS No. 888/2021. The results showed that the nitrite, manganese and free residual chlorine parameters were not in accordance with the legislation. Manganese (p = .035) and aluminum (p &lt; .001) showed significant differences between the hydrological phases. The considerable increase in aluminum content during the flood period, even though it was within the limits of the ordinance, was also highlighted. Accordingly, even with periodic control by the supply companies, it is important to monitor the water at the point of consumption of the population.
An Outlook of the Structure Activity Relationship (SAR) of Naphthalimide Derivatives
as Anticancer Agents
Authors: Bhat Aeyaz Ahmad 
Published: November 2023

Abstract:
The efficacy of drugs against cancer in clinical settings may be limited due to pharmacokinetic issues,
side effects and the emergence of drug resistance. However, a class of anticancer drugs known as naphthalimides
have proven to be very effective. These derivatives have demonstrated to be effective in treating different types of
cancers and exhibit strong DNA binding affinity. The anticancer properties of the naphthalimide derivatives allow
them to target a number of cancer cell lines. Researchers have investigated the anticancer activity of numerous
naphthalimide derivatives, such as heterocyclic fused, non-fused substituted, metal-substituted and carboxamide
derivatives. Surprisingly, some derivatives demonstrate greater activity than the reference norms, such as cisplatin,
amonafide, mitonafide and others and are selective against many cell lines. The primary objective of this
research is to comprehend the effects of various substitution patterns on the structure-activity relationship (SAR)
of these derivatives and the instances in which they enhance or reduce this biological activity.
Cheminformatics Screening of Phytochemicals Targeting Diverse Potential
Receptors to Elicit Antiviral Properties
Authors: Kumar Ravi , Gupta Garima , Mohan Aditi , Gupta Madhu 
Published: November 2023

Objective:
Recently, the COVID-19 (coronavirus disease) pandemic caused by SARSCoV-2 (severe acute respiratory syndrome coronavirus) gave rise to a public health emergency
worldwide. Similarly, other viruses like HIV (Human Immunodeficiency Virus)/AIDS (acquired
immunodeficiency syndrome), Zika, Ebola, and Influenza and their mutants have called for an urgent
need for a Broad-spectrum antiviral drug, inhibiting the infection by targeting the common essential
components of different viruses.

Methods:
Based on ancient medicinal knowledge, we made an attempt through molecular docking
analysis to explore different phytochemical compounds against well-recognized viral receptors.

Results:
A total of 29 phytochemicals were virtually examined against 4 targets essential in the life
cycle of viral infection: CD147 (Cluster of Differentiation 147), CD209L (Cluster of Differentiation
209 Lectin), eIF4A (Eukaryotic Initiation Factor 4A), and RdRp (RNA-dependent RNA polymerase). Providentially, Berbamine was identified as the best-hit lead molecule based on binding energies, conventional hydrogen bonding numbers, and non-covalent interactions. It exhibited binding
energies as -8.3 kcal/mol with CD147, -8.2 kcal/mol with CD209L, -9.5 kcal/mol with eIF4A, and -
10.5 kcal/mol with RdRp. Additionally, in-silico drug likeliness (Lipinski’s rule) and ADME studies
depict high bioavailability and gastrointestinal absorption and follow Lipinski’s rule.

Conclusion:
The data presented by our study exemplify phytochemicals from the selected plants that
could target conserved viral components shared across multiple viruses. Berbamine can be designed
as a possible drug to target Broad-Spectrum viruses, limiting the effectiveness of different viruses.
MgO-based cements – Current status and opportunities
Authors: Bernard Ellina , Nguyen Hoang , Kawashima Shiho , Lothenbach Barbara , Manzano Hegoi , Provis John , Scott Allan , Unluer Cise , Winnefeld Frank , Kinnunen Paivo 
Published: November 2023

The cement industry is a major contributor to the anthropogenic CO2 emissions, with about 8% of all emissions coming from this sector. The global cement and concrete association has set a goal to achieve net-zero CO2 concrete by 2050, with 45% of the reduction coming from alternatives to Portland cement, substitution, and carbon capture and utilization/storage (CCU/S) approaches. Magnesia-based cements offer a conceivable solution to this problem due to their potential for low-to-negative CO2 emissions (CCU/S) but also being alternatives to Portland cement. The sources of magnesia can come from magnesium silicates or desalination brines which are carbon free for raw-material-related emissions (cf. carbonated rocks). This opens up possibilities for low or even net-negative carbon emissions. However, research on magnesia-based cements is still in its early stages.
In this paper, we summarize the current understanding of different MgO-based cements and their chemistries: magnesia oxysulfate cement, magnesia oxychloride cement, magnesia carbonate cement, and magnesia silicate cement. We also discuss relevant research needed for MgO-based cements and concretes including the issues relating to the low pH of these cements and suitability of steel reinforcement. Alternatives reinforcements, suitable admixtures, and durability studies are the most needed for the further development of MgO-based concretes to achieve a radical CO2 reduction in this industry. Additionally, techno-economic and life cycle assessments are also needed to assess the competition of raw materials and the produced binder or concrete with other solutions. Overall, magnesia-based cements are a promising emerging technology that requires further research and development to realize their potential in reducing CO2 emissions in the construction industry.
Therapeutic measures for COVID-19 and their clinical relevance of hERG channel translocation: A Pharmacodynamic approach
Authors: Satapathy Trilochan , Chandrakar Kunal , Satapathy Abinash , Yadav Neha , Singh Shivangee , Kumar Dheeraj 
Published: November 2023

The COVID-19 caused by SARS-CoV-2 poses a massive challenge to the medical system, especially the safe and effective COVID-19 treatment methods, forcing people to look for drugs that may have therapeutic effects as soon as possible. Some old drugs have shown clinical benefits after a few small clinical trials attracting significant attention. Clinically, however, many medications, including those currently shown to be effective against COVID-19, such as Chloroquine, hydroxychloroquine, azithromycin and lopinavir/ritonavir, may cause cardiotoxicity by acting on cardiac potassium channel, hERG channel due to their off-target effect. Blocking of hERG prolongs QT intervals on the electrocardiogram and thus might induce severe ventricular arrhythmias and even sudden cardiac death. Therefore, while focusing on the efficacy of COVID-19 drugs, the fact that they block hERG from causing arrhythmias cannot be ignored. To develop safe and effective drugs, it is necessary to understand the interactions between drugs and hERG channels and the molecular mechanism behind this high affinity. In this review, we focus on the biochemical and molecular mechanistic aspects of related drug blockade in the hERG, trying to provide insights into the QT interval prolongation caused by potential therapeutic drugs for COVID-19 and hope to weigh the risks and benefits when using related drugs.
Keywords: COVID-19; Therapeutic measures; hERG channel; Pharmacodynamic; Vaccines
In-Vitro and In-Silico Approach Distinguish ER-α and HER-2 Antagonistic Properties of Indian Herbal Formulation on Breast Cancer
Authors: Khan Munir , Sur Tapas Kumar , Saha Avijit , Ghosh Chandreyi , Biswas Tuhin K. , Chatterjee Sirshendu , Pandit Srikanta 
Published: November 2023

Objectives: The anticancer effect of an Indian herbal preparation was studied under a cancer cell line, as well as the in silico computational methods that explain the probability of protein ligands binding to ER- α and HER-2 receptors.
Method: The in vitro anticancer activity of Body Revival® suspension (BR) was determined using cytotoxicity tests, cell invasion and migration assays, and metastatic protein expression assays using MCF-7 breast cancer cells. The computational predictive biological method was applied to find out the pharmacodynamic and pharmacokinetic interactions between the active molecules present in the BR and ER- α/and HER-2 of breast cancer.
Results: BR showed significant and dose dependent cytotoxic effects on MCF-7 cells. The 50% effective cytotoxic dose of BR was 34.27µl/ml. It restricted invasion (26%) and migration (28%) of cancer cells than BSA control. MMP-9 and IL-6 concentration were reduced significantly (p<0.001) after treatment. Cucurbitacin B had maximum in silico binding energy score (-7.8) with ER-α, while symconoside B had with HER-2 (-8.4); but, among the other interactions between the two ligands and receptors, withaferin A had the highest affinity (-15.3). Additionally, withaferin A, symconoside A, and symconoside B curcurbitacin A demonstrated bioavailability and fulfilled safety standards.
Conclusion: Body Revival® showed as a powerful multi-target inhibitor of ER- α and HER-2 that has prospective anticancer action without side effects, and may be useful in the therapy management following a successful trial in breast cancer patients.
Keywords: Breast cancer, Cytotoxicity, MCF-7, ER- α, HER-2, Herbs, In Silico