bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of peracetic acid–ultraviolet combination treatment on microbial and endotoxin levels in a pharmaceutical water system
Authors: Farjami Afsaneh , Eradati Shiva , Hamishehkar Hamed , Siahi-Shadbad Mohammadreza , LotfiPour Farzaneh 
Published: October 2022

Abstract
In the pharmaceutical industry, the microbiological quality of water is vital. This research investigated how combining peracetic acid (0.1% V/V) and UV light (&gt;150 mJ/cm2) as wide-spectrum disinfectants affect microbial and endotoxin levels in a pharmaceutical water system. Water samples were taken aseptically from 12 points across the system. The pour plate technique and membrane filtration were used for microbial counts. The presence of endotoxin in distilled water samples was investigated by the Limulus amebocyte lysate (LAL) test gel-clot method. After peracetic acid–UV combination treatment, microbial counts of samples significantly decreased (P &lt; 0.05) compared with UV treatment alone, and they were lower than the action limits specified by the European Pharmacopeia (100 CFU/ml for purified water and 10 CFU/100 ml for water for injection). In addition, water samples were mainly LAL-negative (10 negative weekly reports out of 12 total reports). It is concluded that disinfection of all stages of the water system with peracetic acid–UV combination remarkably improved the microbial quality of the water system. Therefore, rotation between more than one disinfectant policy and periodic disinfection of the water system by peracetic acid–UV combination is recommended to minimize contamination of the water system and pharmaceutical products as well as bacterial infections in product consumers.
Study on the environmental efficiency of agricultural water resources about typical cropping patterns around the Dongting Lake area
Authors: Yang Yumei , Deng Zhenghua , Lu Xianming , Gao Xiaoling 
Published: October 2022

Abstract
This paper aims to evaluate the environmental efficiency of agricultural water resources utilization in different cropping patterns in the Dongting Lake area. To achieve that, the following materials are used: (1) study area: 16 counties (cities and districts) of Yueyang, Changde, and Yiyang around the Dongting Lake area; (2) data: relevant indicators of economic and environmental benefits of agricultural water resources utilization from 2011 to 2020; and (3) model: the Luenberger productivity model based on the directional distance function. With all the materials above, this paper calculates the environmental efficiency of typical cropping patterns in the Dongting Lake ecological zone and explores the spatial and temporal evolution patterns of typical cropping patterns in the lake area. The results show that (1) the environmental efficiency (LEI) of four typical cropping patterns in 16 counties (cities and districts) around Dongting Lake shows an overall increasing trend from 2011 to 2020, especially the environmental efficiency of four cropping patterns has increased significantly since 2014. (2) Among the four typical cropping patterns, the environmental efficiency of one-season rice + lobster is higher, and the environmental efficiency value of two-season rice + winter leisure is lower but most significantly improved. (3) The environmental efficiency of agricultural water resources in the hilly areas around the lake is higher than that in the Dongting Plain. Finally, some countermeasures and suggestions were put forward, such as implementing the reduction and efficiency of pesticide and chemical fertilizer in the planting industry in the lake area, optimizing the rice + planting mode, strengthening the construction of water conservation projects in the four river basins, and promoting high-standard farmland water-saving irrigation.
A role for water markets in enhancing water security in the western United States?: Lessons from the Walker River Basin
Authors: Koebele Elizabeth A. , Singletary Loretta , Hockaday Shelby E. , Ormerod Kerri Jean 
Published: October 2022

AbstractIn many semi-arid, snow-fed river systems, climate change is shifting the timing and quantity of streamflow; at the same time, changing water use priorities are introducing additional demands on water supplies. These dynamics challenge water security across the globe. Water markets – economic instruments used to reallocate water via voluntary trade – may be used to adapt to these changes, though their implementation remains limited. To understand how water markets may enhance water security in the western United States, we assess diverse actors’ perceptions of water allocation institutions broadly, as well as their preferences for different water market designs, in the empirical context of the Walker River Basin. This 4,200-square mile watershed, located on the California-Nevada border, exemplifies many key regional water management challenges. Through an analysis of 30 in-depth interviews, we find that actors across sectors desire changes to traditional water allocation institutions, preferably at the local level, and view markets as an acceptable tool for reallocation. Despite identified legal and social challenges, markets that facilitate temporary water trading are generally preferred. While limited to the context of a single basin, these findings provide lessons for designing water markets to enhance water security in basins regionally and beyond.
Looking for SARS-CoV-2 Therapeutics Through Computational
Approaches
Authors: Vincenzi Marian , Mercurio Flavia Anna , Leone Marilisa 
Published: October 2022

Background:
In the last few years, in silico tools, including drug repurposing
coupled with structure-based virtual screening, have been extensively employed to look
for anti-COVID-19 agents.

Objective:
The present review aims to provide readers with a portrayal of computational
approaches that could be conducted more quickly and cheaply to novel anti-viral agents.
Particular attention is given to docking-based virtual screening.

Methods:
The World Health Organization website was consulted to gain the latest information
on SARS-CoV-2, its novel variants and their interplay with COVID-19 severity
and treatment options. The Protein Data Bank was explored to look for 3D coordinates of
SARS-CoV-2 proteins in their free and bound states, in the wild-types and mutated forms.
Recent literature related to in silico studies focused on SARS-CoV-2 proteins was
searched through PubMed.

Results:
A large amount of work has been devoted thus far to computationally targeting
viral entry and searching for inhibitors of the S-protein/ACE2 receptor complex. Another
large area of investigation is linked to in silico identification of molecules able to block
viral proteases -including Mpro- thus avoiding maturation of proteins crucial for virus life
cycle. Such computational studies have explored the inhibitory potential of the most diverse
molecule databases (including plant extracts, dietary compounds, FDA approved
drugs).

Conclusion:
More efforts need to be dedicated in the close future to experimentally validate
the therapeutic power of in silico identified compounds in order to catch, among the
wide ensemble of computational hits, novel therapeutics to prevent and/or treat COVID-
19.
A Glance at the Phytochemical and Ethno-pharmacological Understanding
of Four Ocimum Species
Authors: Jahanger Mohammad Abdullah , Patra Kamal Kant , Kumari Sweta , Singh Arpit , Manika N. , Srivastava Ravi Prakash , Saxena Gauri , Singh Lav 
Published: October 2022

Abstract:
The genus Ocimum comprises many species widely cultivated in different parts of the
world for their pharmaceutical, neutraceutical and other commercial importance. Many biological
activities such as antimicrobial, cytotoxic, anti-nociceptive, anti-inflammatory, hypoglycaemic, hepatoprotective
and antioxidant have been ascribed to Ocimum, which can be linked to the occurrence of
biologically active phytochemicals like phenolic acids, essential oil, flavonoids, and terpenes hence
making it a potential source for discovery and development of novel drugs. The present review covers
the successive advances in the traditional medicinal aspects, phytochemistry, bioactivities and the
bioavailability of four Ocimum species, i.e., Ocimum basilicum L., Ocimum sanctum L., Ocimum
gratissimum L. and Ocimum tenuiflorum L., to explore their applications in versatile industries. Furthermore,
this thorough compilation will be used as a potential resource for further Ocimum-related
medication development and research and to identify the research gaps to fill.
Could Postbiotics Substitute Probiotics?
Authors: Homayouni-Rad Aziz , Pouraga Bahare , Abbasi Amin , Soleimani Roya Abedi 
Published: October 2022

Abstract:
In recent years, the field of probiotics and postbiotics has attracted great attention. On
the one hand, probiotics, when administered in adequate amounts, confer a range of health benefits
on the host, but concerns have been reported about the administration of live microorganisms
and their associated risks. On the other hand, postbiotics with desirable traits as inactivated microbial
cells or cell fractions could non-cytotoxically benefit the consumer when ingested in sufficient
amounts. In this study, the authors have discussed the protentional of postbiotics as safe
alternatives to live probiotic microbes in functional foods, nutraceuticals, and pharmaceutical
products.
Current Landscape and Emerging Opportunities of Gene Therapy with
Non-viral Episomal Vectors
Authors: Khan Safir Ullah , Khan Munir Ullah , Khan Muhammad Imran , Kalsoom Fadia , Zahra Aqeela 
Published: October 2022

Abstract:
Gene therapy has proven to be extremely beneficial in the management of a wide range of
genetic disorders for which there are currently no or few effective treatments. Gene transfer vectors
are very significant in the field of gene therapy. It is possible to attach a non-viral attachment vector to
the donor cell chromosome instead of integrating it, eliminating the negative consequences of both viral
and integrated vectors. It is a safe and optimal express vector for gene therapy because it does not
cause any adverse effects. However, the modest cloning rate, low expression, and low clone number
make it unsuitable for use in gene therapy. Since the first generation of non-viral attachment episomal
vectors was constructed, various steps have been taken to regulate their expression and stability, such
as truncating the MAR element, lowering the amount of CpG motifs, choosing appropriate promoters
and utilizing regulatory elements. This increases the transfection effectiveness of the non-viral attachment
vector while also causing it to express at a high level and maintain a high level of stability. A
vector is a genetic construct commonly employed in gene therapy to treat various systemic disorders.
This article examines the progress made in the development of various optimization tactics for nonviral
attachment vectors and the future applications of these vectors in gene therapy.
Targeting Gut Dysbiosis and Microbiome Metabolites for the Development
of Therapeutic Modalities for Neurological Disorders
Authors: Wiefels Matthew D. , Furar Emily , Eshraghi Rebecca S. , Mittal Jeenu , Memis Idil , Moosa Moeed , Mittal Rahul , Eshraghi Adrien A. 
Published: October 2022

Abstract:
The gut microbiota, composed of numerous species of microbes, works in synergy with the
various organ systems in the body to bolster our overall health and well-being. The most well-known
function of the gut microbiome is to facilitate the metabolism and absorption of crucial nutrients, such
as complex carbohydrates, while also generating vitamins. In addition, the gut microbiome plays a
crucial role in regulating the functioning of the central nervous system (CNS). Host genetics, including
specific genes and single nucleotide polymorphisms (SNPs), have been implicated in the pathophysiology
of neurological disorders, including Parkinson’s disease (PD), Alzheimer’s disease (AD), and
autism spectrum disorder (ASD). The gut microbiome dysbiosis also plays a role in the pathogenesis
of these neurodegenerative disorders, thus perturbing the gut-brain axis. Overproduction of certain metabolites
synthesized by the gut microbiome, such as short-chain fatty acids (SCFAs) and p-cresyl sulfate,
are known to interfere with microglial function and trigger misfolding of alpha-synuclein protein,
which can build up inside neurons and cause damage. By determining the association of the gut microbiome
and its metabolites with various diseases, such as neurological disorders, future research will
pave the way for the development of effective preventive and treatment modalities.
Efficacy and Safety of Direct Oral Anticoagulants in the Treatment of Left
Ventricular Thrombus After Acute Anterior Myocardial Infarction in
Patients Who Underwent Percutaneous Coronary Intervention
Authors: Liang Jing , Wang Zhijian , Zhou Yujie , Shen Hua , Chai Meng , Ma Xiaoteng , Han Hongya , Shao Qiaoyu , Li Qiuxuan 
Published: October 2022

Aims:
To explore treatment with direct oral anticoagulants (DOACs) in left ventricular
thrombus (LVT) after ST-segment elevation myocardial infarction (STEMI) in patients who underwent
percutaneous coronary intervention (PCI).

Background:
Contemporary data regarding using DOACs for LVT after STEMI patients who underwent
PCI is limited.

Objectives:
To investigate the efficacy and safety of DOACs on the treatment of LVT post STEMI and
PCI.

Methods:
This retrospective study enrolled patients with LVT post STEMI and PCI within 1month from
onset who received warfarin or DOACs at discharge. The primary endpoint was LVT resolution. Secondary
endpoints were major adverse cardiovascular events (MACEs), including death, stroke, systemic
embolism (SE), myocardial infarction (MI) and major or minor bleeding.

Results:
A total of 128 consecutive patients were recruited, of which 72 received warfarin and 56 DOACs
[48 on rivaroxaban and 8 on dabigatran]. The rate of LVT resolution was higher within 1 month in
the DOACs group than warfarin (26.8% vs. 11.1%; p = 0.022) (Kaplan-Meier estimates, p = 0.002). No
significant differences were found at 3 months (p = 0.246), 6 months (p = 0.201), 9 months (p = 0.171)
and 12 months (p = 0.442). No patients treated with DOACs had major bleeding, while two patients
with warfarin had upper gastrointestinal bleeding (0 vs. 2 (2.8%); p = 0.209). No death or SE occurred.
No significant differences on secondary endpoints were found in both the groups, including stroke, MI,
minor bleeding and all bleeding events.

Conclusions:
DOACs appear to be a suitable alternative to warfarin for the management of LVT post
STEMI, especially in patients who are intolerant to warfarin.
Synthesis, Antifungal Evaluation of 3-[{(1-aminomethyl) -5,7-dimethyl-2- oxoindolin-3-ylidene} amino]-2-phenylquinazolin-4(3H)-ones and their NLO, MESP, Global Reactivity Descriptor, and AIM Study through DFT Approach
Authors: Jaiswal Reena , Rastogi Nisheeth , Chaudhary Aniruddh Prasad , Srivastava Sudhir Kumar , Kant Padam 
Published: October 2022

Abstract:A series of fused 3-[{(1-aminomethyl)-5,7-dimethyl-2-oxoindolin-3-ylidene}amino]-2- phenylquinazolin-4(3H)-ones 4(i-ix)) has been designed and synthesized by the condensation reaction between 3-amino -2-phenylquinazolin-4(3H)-one and 5,7-dimethylindolin-2,3-dione, followed by aminomethylation with secondary amines in the presence of formaldehyde and were also screened for their antifungal potential against human pathogenic fungi. The structures of all synthesized compounds have been established with the help of elemental and spectral analysis, such as NMR, FT-IR and mass spectrometry. Out of all synthesized compounds 4(i-ix), theoretical calculation was performed for 3-((5,7-dimethyl-1-(morpholinomethyl)-2-oxoindolin-3-ylidene)amino)-2-phenylquinazolin- 4(3H)-one (4i). The experimental 1H was compared with theoretically calculated values by using B3LYP/6-31G (d, p) level through the GIAO approach. The higher value of first-order hyper polarizability predicted (4i) may be used as NLO material. To explore molecular stability, three intermolecular interactions, such as N8—O22··· H47, C37—H64 ···N12, and C23—H45 ···C30, were observed through the QTAIM approach. In addition, global reactivity descriptor and molecular electrostatic potential were computed for the prediction of reactivity and reactive sites.
Synthetic Strategies for Quinoline Based Derivatives as Potential Bioactive
Heterocycles
Authors: Sharma Shivangi , Singh Kuldeep , Singh Shivendra 
Published: October 2022

Abstract:
Quinoline derivatives are an important class of heterocyclic compounds and possess various
applications in synthetic organic chemistry, medicinal chemistry, material chemistry and natural
product chemistry. This review article describes the different quinoline derivatives having antimalarial,
analgesic, anti-inflammatory, antineoplastic, antibacterial, antifungal, antiviral, anthelmintic,
antiprotozoal, cardiovascular, CNS and other useful bioactivities. We have delineated the general
synthetic routes for the synthesis of many bioactive quinoline based heterocycles. In addition to
this, we have also discussed the crucial synthetic routes as well as their mechanistic paths for the
formation of bioactive quinoline derivatives. The study shows that substitution at the 4 and 8-
position of quinoline is more crucial for bioactivity as compared to other positions.
Characteristics of Enzymatic Hydrolysis of Protein from Different Food
Sources and Potential Separation Techniques
Authors: Mohammad Siraj Salman , da Silva Ferreira Marcus Vinicius , Barbosa Maria Ivone Martins Jacintho , Junior José Lucena Barbosa 
Published: October 2022

Abstract:
Enzymatic hydrolysis (EH) of proteins relies essentially upon enhancing the functional
and nutritional properties of proteins, such as antioxidant activity, solubility, oil holding capacity,
water holding capacity, emulsification, foaming properties, and sensory properties. There
is a big challenge for protein separation and purification due to the high production cost, the
large number of amino acids, and the complex biological system of proteins. These biological
structures are always presented in a multi-component mixture in native environments, which are
usually similar to other molecular weights of other components, such as protein-lipid complexes.
These difficulties present the importance of a combination of the hydrolysis process of protein
with adequate technology for separation and purification to achieve better bioactive peptide recovery.
There are many studies conducted dealing with the characteristics of the hydrolysis process
of proteins, and other implications, such as the separation of protein and bioactive peptides.
Therefore, this study aims to review the important and recent research papers that investigated
the effect of various conditions of the enzymatic hydrolysis process (EHP) (type of enzyme, enzyme
to substrate ratio, temperature, pH, and time) on the antioxidant capacity of protein hydrolysates
and degree of hydrolysis, as well as to assess the recent studies about protein purification
and potential separation techniques.
Medicinal Plants, Economical and Natural Agents with Antioxidant Activity
Authors: Shahrajabian Mohamad Hesam , Sun Wenli 
Published: October 2022

Abstract:Over the past few decades, the multifaceted anticancer action of various plant-derived flavonoids has been demonstrated both in in vitro and in vivo preclinical experiments as well as in clinical trials and large-scale epidemiological studies. These secondary metabolites, synthesized in plants in response to different environmental stresses, can exert diverse biological activities in the human body after ingestion of plant-based foods. Flavonoids are indeed well-known for their antioxidant, anti-inflammatory, antiproliferative, proapoptotic, anti-migratory, antiinvasive, anti-metastatic, and anti-angiogenic properties, thereby preventing and slowing the development of different types of human cancers. Accordingly, more and more people all over the world have increased their everyday intake of fruits, vegetables, whole grains, and spices to get the benefits of flavonoids. In this commentary article, a critical view is presented on the possible gradual decrease in the health-promoting effects of edible and medicinal plant products related to changes in their flavonoid content and composition as a consequence of global warming. It is indeed generally accepted that biosynthesis and accumulation of certain flavonoids can be higher in plants cultivated in colder conditions, while a high temperature may even block the production of these agents. It only remains to be determined in the future as to what extent the lowering of flavonoids content in plant-based diets during global warming can contribute to continuously increasing worldwide incidence of new cancer cases, revealing the actual costs of human-induced environmental changes.:Important traditional medicinal plants with antioxidant activities in China are Asparagus, bindii, blueberries, barberry fruit, borage, calendula, camellia, coriander, cumin, Chinese bayberry, bitter Chinese melon, Chinese cabbage, Chinese cherry, Chinese jujube, Chinese olive, pomegranate, Chinese rose tea, Chinese toon, Chinese watermelon, black tea, green tea, knotweed, Chinese quince, Chinese rhubarb, pomegranate, sumac, thyme, wolfberry, dendrobium, drumstick tree, rosemary, black Zira, rose, Fiscus species, ginger, ginkgo, goji berry, grape, Jerusalem thorn, jujube, kiwifruit seed oil, and liquorice root.:The main derived exogenous natural antioxidants are derived from medicinal plants, fruits, foods, flowers, and traditional herbal medicines. Among various medicinal plants, the medicinal plants common in Asian traditional medicine have shown enormous potential as great sources of natural antioxidants. Polyphenols, and some other secondary bioactive compounds like anthocyanins, isoflavones, pterostilbene, resveratol, quercetin and catechins have shown potent antioxidant activity.
Simultaneous Determination of Two Potential Genotoxic Impurities in
L-Malic Acid by Liquid Chromatography-Tandem Mass Spectrometry
Authors: Zhao Zhen Xiong , Pang Jia Qian , Zhang Ling Ling , Xu Yu Bin , Fan Qing 
Published: October 2022

Background:
Genotoxic impurities (GTIs) are produced during the synthesis of active
pharmaceutical ingredients and pharmaceutical excipients. L-malic acid, an important active pharmaceutical
ingredient and excipient, is widely used in the pharmaceutical industry. However, the detection
of potential GTIs in L-malic acid has not been reported.

Objective:
This study aims to establish a rapid and sensitive liquid chromatography-tandem mass
spectrometry (LC-MS/MS) method to determine the concentration of potential GTIs in L-malic acid,
including N-nitroso-aspartic (NASP) and 2-chlorosuccinic acid (CSA).

Methods:
In this work, GTIs were separated by a reverse-phase Accucore C18 column (100 mm × 2.1
mm, 2.6 μm), with gradient elution using methanol and 0.05% ammonia. The multiple reaction monitoring
(MRM) negative mode was used to detect GTIs, with transitional ion pairs of m/z from 131.6 to
88.0 for NASP, and from 150.9 to 70.9 for CSA.

Results:
The limit of detections (LODs) of NASP and CSA were 2 ng/mL (0.02 ppm) and 5 ng/mL
(0.05 ppm), respectively. Both the limit of quantifications (LOQs) of NASP and CSA were 20 ng /mL
(0.2 ppm). Good linearity of calibration curves in the concentration ranging from 10 to 500 ng/mL
was obtained. The precision was less than 5%, and the intermediate precision was less than 10%. The
accuracy ranged from 95.4% to 102.4%, with a relative standard deviation (RSD) of less than 5%. Also,
the solution's stability and robustness were acceptable.

Conclusion:
Compliant with requirements from (International Council for Harmonization) ICH
guidelines, this method can be used for routine analysis and stability studies for GTIs’ levels in pharmaceutical
quality control.