Conformational control of ligands to create a finite metal-organic cluster and an extended metal-organic framework

While a twofold interpenetrated 3-D metal-organic framework, [Cu-3(L-1)(2)(H2O)(3)]center dot 14DMF center dot 16H(2)O (1) (where, L-1 is 4,4',4 ''-[1,3,5-benzenetriyltris(carbonylimino)] trisbenzoate and DMF is N,N'-dimethylformamide), with a (3,4)-connected pto net topology was prepared using a tricarboxylic acid linked via secondary benzamide as an extended 3-connected node and a Cu paddle-wheel secondary building unit as a planar 4-connected node, another tricarboxylic acid with methylated tertiary benzamide linkage in a folded geometry completely converted its role from diverging to chelating ligand and resulted in a finite Ni-14 metal-organic cluster, [Ni-14(mu(3)-OH) (8)(L-2)(6)(formate)(2)(DMF)(10)(H2O)(2)]center dot 28DMF center dot 14H(2)O (2) (where L-2 is N,N',N ''-methyl-4,4',4 ''-[1,3,5-benzenetriyltris(carbonylimino)]trisbenzoate).close12

Molecular Cloning of Phytase Gene from Bacillus subtilis NCIM-2712

Phytases are enzymes which hydrolyze phytate. Bacillus species are known to produce a thermostable phytase. The Bacillus subtilis strain NCIM-2712 was chosen for cloning of phy gene. Primers were designed for phy gene amplification using the phy gene sequence of B. subtilis (AF298179). A sequence of 1059 bp characteristic of phy gene was obtained on PCR amplification. This gene was cloned into InsT/A cloning vector and the positive clones were confirmed by colony PCR with gene specific primers and restriction digestion. Phytase is a promising candidate for feed applications. The cloned gene obtained in this study will have potential for producing recombinant enzyme, which would enhance the feed quality for poultry and piggery by supplementing it in their diets

An unprecedented twofold interpenetrated layered metal-organic framework with a MoS2-H topology

An unprecedented twofold interpenetrated layered metal-organic framework with a two-dimensional 3,6-connected net topology has been prepared using a tricarboxylic acid as a 3-connected node and a Zn4O(COO)(6) cluster as a 6-connected node, where the ligand flexibility and the combination of pi-pi stacking and hydrogen bonding interactions render the 6-connected node into a topological trigonal prismatic node.close10

Global burden of chronic respiratory diseases and risk factors, 1990–2019: an update from the Global Burden of Disease Study 2019

Background: Updated data on chronic respiratory diseases (CRDs) are vital in their prevention, control, and treatment in the path to achieving the third UN Sustainable Development Goals (SDGs), a one-third reduction in premature mortality from non-communicable diseases by 2030. We provided global, regional, and national estimates of the burden of CRDs and their attributable risks from 1990 to 2019. Methods: Using data from the Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2019, we estimated mortality, years lived with disability, years of life lost, disability-adjusted life years (DALYs), prevalence, and incidence of CRDs, i.e. chronic obstructive pulmonary disease (COPD), asthma, pneumoconiosis, interstitial lung disease and pulmonary sarcoidosis, and other CRDs, from 1990 to 2019 by sex, age, region, and Socio-demographic Index (SDI) in 204 countries and territories. Deaths and DALYs from CRDs attributable to each risk factor were estimated according to relative risks, risk exposure, and the theoretical minimum risk exposure level input. Findings: In 2019, CRDs were the third leading cause of death responsible for 4.0 million deaths (95% uncertainty interval 3.6–4.3) with a prevalence of 454.6 million cases (417.4–499.1) globally. While the total deaths and prevalence of CRDs have increased by 28.5% and 39.8%, the age-standardised rates have dropped by 41.7% and 16.9% from 1990 to 2019, respectively. COPD, with 212.3 million (200.4–225.1) prevalent cases, was the primary cause of deaths from CRDs, accounting for 3.3 million (2.9–3.6) deaths. With 262.4 million (224.1–309.5) prevalent cases, asthma had the highest prevalence among CRDs. The age-standardised rates of all burden measures of COPD, asthma, and pneumoconiosis have reduced globally from 1990 to 2019. Nevertheless, the age-standardised rates of incidence and prevalence of interstitial lung disease and pulmonary sarcoidosis have increased throughout this period. Low- and low-middle SDI countries had the highest age-standardised death and DALYs rates while the high SDI quintile had the highest prevalence rate of CRDs. The highest deaths and DALYs from CRDs were attributed to smoking globally, followed by air pollution and occupational risks. Non-optimal temperature and high body-mass index were additional risk factors for COPD and asthma, respectively. Interpretation: Albeit the age-standardised prevalence, death, and DALYs rates of CRDs have decreased, they still cause a substantial burden and deaths worldwide. The high death and DALYs rates in low and low-middle SDI countries highlights the urgent need for improved preventive, diagnostic, and therapeutic measures. Global strategies for tobacco control, enhancing air quality, reducing occupational hazards, and fostering clean cooking fuels are crucial steps in reducing the burden of CRDs, especially in low- and lower-middle income countries

Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt

Haloperidol, an antipsychotic drug, was screened for new solid crystalline phases using high throughput crystallization in pursuit of solubility improvement. Due to the highly basic nature of the API, all the solid forms with acids were obtained in the form of salts. Eleven crystalline salts in the form of oxalate (1:1), benzoate (1:1), salicylate (1:1 and 1:2), 4-hydroxybenzoate (1:1), 4-hydroxybenzoate ethyl acetate solvate (1:1:1), 3,4-dihydroxybenzoate (1:1), 3,5-dihydroxybenzoate (1:1), mesylate (1:1), besylate (1:1), and tosylate (1:1) salt were achieved. There is an insertion of carboxylate or sulfonate anion into the hydrogen bonding pattern of haloperidol. The salts with the aliphatic carboxylic acids were found to be more prone to form salt hydrates compared with aromatic carboxylate salts. All the salts were subjected to solubility measurement in water at neutral pH. There was no direct correlation observed between the solubility of the salt and its coformer. All the salts are stable at room temperature as well as after 24 h slurry experiment except the oxalate salt, which showed an unusual phase transformation from its hydrated form to the anhydrous form. A structure–property relationship was examined to analyze the solubility behavior of the solid forms

Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt

Haloperidol, an antipsychotic drug, was screened for new solid crystalline phases using high throughput crystallization in pursuit of solubility improvement. Due to the highly basic nature of the API, all the solid forms with acids were obtained in the form of salts. Eleven crystalline salts in the form of oxalate (1:1), benzoate (1:1), salicylate (1:1 and 1:2), 4-hydroxybenzoate (1:1), 4-hydroxybenzoate ethyl acetate solvate (1:1:1), 3,4-dihydroxybenzoate (1:1), 3,5-dihydroxybenzoate (1:1), mesylate (1:1), besylate (1:1), and tosylate (1:1) salt were achieved. There is an insertion of carboxylate or sulfonate anion into the hydrogen bonding pattern of haloperidol. The salts with the aliphatic carboxylic acids were found to be more prone to form salt hydrates compared with aromatic carboxylate salts. All the salts were subjected to solubility measurement in water at neutral pH. There was no direct correlation observed between the solubility of the salt and its coformer. All the salts are stable at room temperature as well as after 24 h slurry experiment except the oxalate salt, which showed an unusual phase transformation from its hydrated form to the anhydrous form. A structure–property relationship was examined to analyze the solubility behavior of the solid forms

Mechanochemical Synthesis of Amide Functionalized Porous Organic Polymers

Two porous organic polymers decorated with the amide functionality were synthesized mechanochemically and their properties were compared with the ones prepared by conventional solution mediated method. All the POPs were subjected to gas and water vapor sorption studies. The mechanochemically synthesized POPs have less surface area and show moderate adsorption properties compared to the solution mediated POPs. The amide based POPs show remarkable stability in water and concentrated acids

Tuning solubility and stability of hydrochlorothiazide co-crystals

Hydrochlorothiazide (HCT), C7H8ClN3O4S2, is a diuretic BCS (Biopharmaceutics Classification System) class IV drug which has primary and secondary sulfonamide groups. To modify the aqueous solubility of the drug, co-crystals with biologically safe co-formers were screened. Multi-component molecular crystals of HCT were prepared with nicotinic acid, nicotinamide, succinamide, p-aminobenzoic acid, resorcinol and pyrogallol using liquid-assisted grinding. The co-crystals were characterized by FT-IR spectroscopy, powder X-ray diffraction (PXRD) and differential scanning calorimetry. Single crystal structures were obtained for four of them. The N-H center dot center dot center dot O sulfonamide catemer synthons found in the stable polymorph of pure HCT are replaced in the co-crystals by drug-co-former heterosynthons. Isostructural co-crystals with nicotinic acid and nicotinamide are devoid of the common sulfonamide dimer/catemer synthons. Solubility and stability experiments were carried out for the co-crystals in water (neutral pH) under ambient conditions. Among the six binary systems, the co-crystal with p-aminobenzoic acid showed a sixfold increase in solubility compared with pure HCT, and stability up to 24 h in an aqueous medium. The co-crystals with nicotinamide, resorcinol and pyrogallol showed only a 1.5-2-fold increase in solubility and transformed to HCT within 1 h of the dissolution experiment. An inverse correlation is observed between the melting points of the co-crystals and their solubilities

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The homologous series of N,N′-bis(phenyl)alkanediamides, N,N′-bis(3-pyridyl)alkanediamides, and N,N′-bis(4- pyridyl)alkanediamides (reverse amides) have been synthesized and crystallized. The crystal structures of these amides were determined and analyzed in terms of hydrogen bonding patterns. Their structural patterns have been compared with those of bis(phenylcarboxamido) alkane, bis(4-pyridinecarboxamido)alkane, and bis(3-pyridinecarboxamido)alkane derivatives (amides). The similarities in supramolecular geometries between the reverse amides and amides were studied and discussed in detail. The interference of pyridyl groups in amide-to-amide hydrogen bonds was found to be more prominent in reverse amides than amides. Conventional beta-sheet patterns were not observed in reverse amides containing pyridine groups. The supramolecular patterns in reverse amides are totally deviated from those of amides when they contain 4-pyridyl groups. In this study, we found that the reverse amides form two new beta-sheet patterns: one formed via N-H· · ·N and N-H· · ·O hydrogen bonds, whereas the other is formed by the joining of amides via water molecules (N-H· · ·Ow and Ow-H· · · O). Further, one of these reverse amides found to form a 4-fold interpenetrated network with quartz topology via N-H· · ·N hydrogen bonds.1150sciescopu