Flax fiber based semicarbazide biosorbent for removal of Cr(VI) and Alizarin Red S dye from wastewater.

In the present study, flax fiber based semicarbazide biosorbent was prepared in two successive steps. In the first step, flax fibers were oxidized using potassium periodate (KIO) to yield diadehyde cellulose (DAC). Dialdehyde cellulose was, then, refluxed with semicarbazide.

Epicardial Adipose Tissue Assessed by Computed Tomography and Echocardiography Are Associated With Adverse Cardiovascular Outcomes: A Systematic Review and Meta-Analysis.

Background: Epicardial adipose tissue (EAT) has garnered attention as a prognostic and risk stratification factor for cardiovascular disease. This study, via meta-analyses, evaluates the associations between EAT and cardiovascular outcomes stratified across imaging modalities, ethnic groups, and study protocols.

Methods: Medline and Embase databases were searched without date restriction on May 2022 for articles that examined EAT and cardiovascular outcomes.

Comparing the Properties of Bio-Polyols Based on White Mustard () Oil Containing Boron and Sulfur Atoms Obtained by Various Methods and Checking Their Influence on the Flammability of Rigid Polyurethane/Polyisocyanurate Foams.

The article compares the properties of bio-polyols obtained from white mustard () seed oil, which contain boron and sulfur atoms. Each of the bio-polyols was prepared by a different method of testing the efficiency of the incorporation of boron and sulfur atoms. All synthesis methods were based on the epoxidation of unsaturated bonds followed by the opening of epoxy rings by compounds containing heteroatoms.

Microorganisms and their metabolites affect the content of polycyclic aromatic hydrocarbons and their derivatives in pyrolyzed material.

Toxic polycyclic aromatic hydrocarbons (PAHs) and more toxic N- and O-containing derivatives can be determined in biochar. However, their fate in the environment and bioavailability depends on many parameters and was not studied yet. In the presented studies a set of biochars obtained from various feedstock at the same pyrolysis temperature (600 °C) subjected to environmental pressure e.

Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products.

A concise and versatile synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidines has been developed, starting from 4-(1H-benzo[d]imidazol-1-yl)pyrimidines, and we report here the synthesis and spectroscopic and structural characterization of three such products, along with those of two intermediates in the reaction pathway. The intermediates 4-[2-(4-chlorophenyl)-1H-benzo[d]imidazol-1-yl]-6-methoxypyrimidine-2,5-diamine, (II), and 4-[2-(4-bromophenyl)-1H-benzo[d]imidazol-1-yl]-6-methoxypyrimidine-2,5-diamine, (III), crystallize as the isostructural monohydrates CHClNO·HO and CHBrNO·HO, respectively, in which the components are linked into complex sheets by O-H..

Design, Synthesis and Evaluation of a Series of Zinc(II) Complexes of Anthracene-Affixed Multifunctional Organic Assembly as Potential Antibacterial and Antibiofilm Agents against Methicillin-Resistant .

A novel class of zinc(II)-based metal complexes, i.e., [Zn(acdp)(μ-Cl)]·2HO (), [Zn(acdp)(μ-NO)]·2HO (), and [Zn(acdp)(μ-OCCF)]·2HO () (Cl = chloride; NO = nitrate; CFCO = trifluoroacetate) of anthracene-affixed multifunctional organic assembly, Hacdp (Hacdp = ,'-bis[anthracene-2-ylmethyl]-,'-bis[carboxymethyl]-1,3-diaminopropan-2-ol), have emerged as promising antibacterial and antibiofilm agents in the domain of medicinal chemistry.

Suzuki-Miyaura Cross-Coupling of 2-Pyridyl Trimethylammonium Salts by N-C Activation Catalyzed by Air- and Moisture-Stable Pd-NHC Precatalysts: Application to the Discovery of Agrochemicals.

We report the first Suzuki-Miyaura cross-coupling of 2-pyridyl ammonium salts by highly selective N-C activation catalyzed by air- and moisture-stable Pd(II)-NHC (NHC = -heterocyclic carbene) precatalysts. The use of well-defined and highly reactive [Pd(IPr)(3-CF-An)Cl] (An = aniline) or [Pd(IPr)(cin)Cl] (cin = cinnamyl) Pd(II)-NHC catalysts permits an exceptionally broad scope of the cross-coupling to furnish valuable biaryl and heterobiarylpyridines that are ubiquitous in medicinal chemistry and agrochemistry research. The overall process leverages the Chichibabin C-H amination of pyridines with N-C activation to enable an attractive strategy to the 2-pyridyl problem.

Interactions between Paracetamol and Formaldehyde: Theoretical Investigation and Topological Analysis.

In this work, noncovalent interactions including hydrogen bonds, C···C, N···O, and van der Waals forces between paracetamol and formaldehyde were investigated using the second-order perturbation theory MP2 in conjunction with the correlation consistent basis sets (aug-cc-pVDZ and aug-cc-pVTZ). Two molecular conformations of paracetamol were considered. Seven equilibrium geometries of dimers were found from the result of the interactions with formaldehyde for each conformation of paracetamol.

An improved parameterization procedure for NDDO-descendant semi-empirical methods.

Concept: MNDO-based semi-empirical methods in quantum chemistry have found widespread application in the modelling of large and complex systems. A method for the analytic evaluation of first and second derivatives of molecular properties against semi-empirical parameters in MNDO-based NDDO-descendant models is presented, and the resultant parameter Hessian is compared against the approximant currently used in parameterization for the PMx models.

Methods: As a proof of concept, the exact parameter Hessian is employed in a limited reparameterization of MNDO for the elements C, H, N, O and F using 1206 molecules for reference data (heats of formation, ionization energies, dipole moments and reference geometries).

The elements of life: A biocentric tour of the periodic table.

Living systems are built from a small subset of the atomic elements, including the bulk macronutrients (C,H,N,O,P,S) and ions (Mg,K,Na,Ca) together with a small but variable set of trace elements (micronutrients). Here, we provide a global survey of how chemical elements contribute to life. We define five classes of elements: those that are (i) essential for all life, (ii) essential for many organisms in all three domains of life, (iii) essential or beneficial for many organisms in at least one domain, (iv) beneficial to at least some species, and (v) of no known beneficial use.

π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.

The present study evaluates the potential combination of charge-transfer electron-donor-acceptor π-π complexation and C-H hydrogen bonding to form colored cocrystals. The crystal structures of the red 1:1 cocrystals formed from the isomeric pyridines 4- and 3-{2-[4-(dimethylamino)phenyl]ethynyl}pyridine with 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene, both CHFNO·CHN, are reported. Intermolecular interaction energy calculations confirm that π-stacking interactions dominate the intermolecular interactions within each crystal structure.

Rhodium-Catalyzed [5 + 2] Annulation of Pyrrole Appended BODIPYs: Access to Azepine-Fused BODIPYs.

Rhodium-catalyzed C-H/N-H [5 + 2] annulations of 8-(pyrrol-2-yl)-appended boron-complexed dipyrromethenes (BODIPYs) with internal alkynes have been established to afford a series of azepine-fused BODIPYs with good yields and excellent regioselectivity, in which the pyrrol-2-yl unit serves as the directing group as a rare example. A Rh intermediate was obtained to indicate a Rh/Rh catalytic process involved in this reaction. Importantly, the [5 + 2] C-H annulation is demonstrated as a concise strategy to change the optical properties of BODIPY.

Synthesis, characterization, antibacterial activity, and molecular docking of novel dicyanodihydrofuran-based push-pull fluorophores.

Novel push-pull fluorescent molecules based on dicyanodihydrofuran that had marked molar extinction coefficients were created and described. The fluorophores were synthesized using the Knoevenagel condensation in arid pyridine at room temperature and acetic acid as a catalytic agent. In addition, a condensation reaction was performed for the activated methyl-containing dicyanodihydrofuran with a 3° amine-containing aromatic aldehyde.

Ru(II)-Catalyzed Regioselective Redox-Neutral [4 + 2] Annulation of -Chlorobenzamides with 1,3-Diynes at Room Temperature for the Synthesis of Isoquinolones.

Herein, we report Ru(II)-catalyzed C-H/N-H bond functionalization of -chlorobenzamides with 1,3-diynes via regioselective (4 + 2) annulation for the synthesis of isoquinolones under redox-neutral conditions at room temperature. This represents the first example of C-H functionalization of -chlorobenzamides using an inexpensive and commercially available [Ru(-cymene)Cl] catalyst. The reaction is operationally simple, works in the absence of any silver additives, and is also applicable to a broad range of substrates with good functional group tolerance.

Rh(III)-Catalyzed C-H Functionalization/Annulation of 1-Arylindazolones: Divergent Synthesis of Fused Indazolones and Allyl Indazolones.

Rh(III)-catalyzed C-H/N-H annulation and C-H allylation of phenylindazolones have been realized by employing 5-methylene-1,3-dioxan-2-one and 4-vinyl-1,3-dioxolan-2-one as scalable cross-coupling partners, delivering functionalized indazolone fused heterocycles and branched and linear allyl indazolones respectively in moderate to high yield. These divergent synthesis protocols showcase mild conditions, broad substrate scope, and high functional-group compatibility. In addition, scale-up synthesis and preliminary mechanistic exploratory were also accomplished.

Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.

Four new 2,4-distyrylquinolines and one 2-styryl-4-[2-(thiophen-2-yl)vinyl]quinoline have been synthesized using indium trichloride condensation reactions between aromatic aldehydes and the corresponding 2-methylquinolines, which were themselves prepared using Friedländer annulation reactions between mono- or diketones and (2-aminophenyl)chalcones: the products have all been fully characterized by spectroscopic and crystallographic methods. 2,4-Bis[(E)-styryl]quinoline, CHN, (IIa), and its dichloro analogue, 2-[(E)-2,4-dichlorostyryl]-4-[(E)-styryl]quinoline, CHClN, (IIb), exhibit different orientations of the 2-styryl unit relative to the quinoline nucleus. In each of the 3-benzoyl analogues {2-[(E)-4-bromostyryl]-4-[(E)-styryl]quinolin-3-yl}(phenyl)methanone, CHBrNO, (IIc), {2-[(E)-4-bromostyryl]-4-[(E)-4-chlorostyryl]quinolin-3-yl}(phenyl)methanone, CHBrClNO, (IId), and {2-[(E)-4-bromostyryl]-4-[(E)-2-(thiophen-2-yl)vinyl]quinolin-3-yl}(phenyl)methanone, CHBrNOS, (IIe), the orientation of the 2-styryl unit is similar to that in (IIa), but the orientation of the 4-arylvinyl units show considerable variation.

Long-Term Prognosis of Patients With Coexisting Obesity and Malnutrition After Acute Myocardial Infarction: A Cohort Study.

Background: The double burden of malnutrition, described as the coexistence of malnutrition and obesity, is a growing global health issue. This study examines the combined effects of obesity and malnutrition on patients with acute myocardial infarction (AMI).

Methods: Patients presenting with AMI to a percutaneous coronary intervention-capable hospital in Singapore between January 2014 and March 2021 were retrospectively studied.

Fatty Acid and Multi-Isotopic Analysis (C, H, N, O) as a Tool to Differentiate and Valorise the Djebel Lamb from the Mountainous Region of Tunisia.

The objective of this study was to distinguish between the Tunisian Djebel lamb meat and meat from typical Tunisian production systems (PSs) through the fatty acids (FAs) profile and the stable isotope ratio analysis (SIRA). Thirty-five lambs from three different regions and PSs (D = Djebel, B = Bou-Rebiaa, and O = Ouesslatia) were considered for this purpose. The results demonstrated that the PS and the geographic origin strongly influenced the FA profile of lamb meat.

Covalent Organic Frameworks-Based Electrochemical Sensors for Food Safety Analysis.

Food safety is a key issue in promoting human health and sustaining life. Food analysis is essential to prevent food components or contaminants causing foodborne-related illnesses to consumers. Electrochemical sensors have become a desirable method for food safety analysis due to their simple, accurate and rapid response.

"A Pain Deep in Your Soul (Being) that is Not Physical:" Assessing Spiritual Pain in Integrative Oncology Consultations.

Context: Spiritual pain contributes to the suffering of cancer patients. However, it is unclear whether patients seen outside of palliative care report spiritual pain and its relationship with symptom burden.

Objectives: Characteristics of patients reporting spiritual pain were examined, as well as the association of spiritual pain with symptom burden and how spiritual pain affected the factor structure of the Edmonton Symptom Assessment System (ESAS).

Electrochemical rhodium catalysed alkyne annulation with pyrazoles through anodic oxidation - a metal oxidant/additive free methodology.

Pyrazole and its derivatives are important azole heteroarenes prevalent in pharmaceutical compounds and have been used as ligands for protein binding, making them valuable targets for synthetic applications. Herein we disclose an electrochemical intermolecular C-H/N-H oxidative annulation of 2-phenylpyrazoles with alkynes using a rhodium(III) redox regime without any external metal oxidants in a water compatible solvent system. Both symmetrical and unsymmetrical alkynes were shown to be compatible with the optimized conditions.

Mechanical Thrombectomy Versus Best Medical Treatment in the Late Time Window in Non-DEFUSE-Non-DAWN Patients: A Multicenter Cohort Study.

Background: We assessed the efficacy and safety of mechanical thrombectomy (MT) in adult stroke patients with anterior circulation large vessel occlusion presenting in the late time window not fulfilling the DEFUSE-3 (Thrombectomy for Stroke at 6 to 16 Hours With Selection by Perfusion Imaging trial) and DAWN (Thrombectomy 6 to 24 Hours After Stroke With a Mismatch Between Deficit and Infarct trial) inclusion criteria.

Methods: Cohort study of adults with anterior circulation large vessel occlusion admitted between 6 and 24 hours after last-seen-well at 5 participating Swiss stroke centers between 2014 and 2021. Mismatch was assessed by computer tomography or magnetic resonance imaging perfusion with automated software (RAPID or OLEA).

Characteristics of exopolysaccharides produced by isolates from natural bioflocculant of conglutination mud.

Three novel types of exopolysaccharides (EPS) EPS-S8, EPS-S5, and EPS-F10 were extracted and purified from bacterial isolates sp. GHS8, sp. GHS5 and sp.