JCRC

Investigation of interactions of acetzolamide with tricil at pH = 3.0, pH = 7.0 and pH = 9.5 through UV-Vis spectroscopy and cyclic voltammetry

Erum Jabeen, Romana Qureshi — 2023-02-08

The interaction of antihypertensive drug acetazolamide (Azm) with antacid drug tricil was investigated at pH = 3.0, pH = 7.0 and pH = 9.5 with the objective of monitoring their interactive pharmacokinetics during digestion and absorption in human body. The variation in absorbance and current of one drug caused by the addition of another drug revealed that tricil interacted with Azm in both acidic (pH = 3.0) and basic conditions (pH = 9.5). But these twodrugs did not interact with each other at neutral pH (pH = 7.0). Further, in acidic conditions Azm-tricil formed 1:1 complex while these formed 1:2 complex at pH = 9.5 (basic conditions).

Structural studies of new co-crystal compound including pyridine–2,6– dicarboxilic acid and pyridine–2–carbocxamide: Synthesis and DFT calculations

Mohammad Chahkandi, Behzad Chahkandi — 2023-02-08

The proton transfer compounds (PTCs) by transferring of one or more protons from a donor group to an acceptor one are prepared .PTCs can coordinate to transition metals to form coordination complexes. In this study, colorless crystals of a new co-crystal named 2,6–pydc(py–2–cm)2 through the reaction of pyridine–2,6– dicarboxilic acid (2,6–pydc) and pyridine–2–carbocxamide (py–2–cm) were prepared and characterized by FTIR, UV–Vis, and CHNS analysis. DFT calculations including geometry optimization, frequency calculations, time dependence (TD), and NBO analysis of 2,6–pydc, py–2–cm, and the proposed structure of 2,6–pydc(py–2–
cm)2 at B3LYP/6–311+G(d,p) level of theory using Gaussian 09 program were performed. The comparison of FTIR spectra of the synthesized 2,6–pydc(py–2–cm)2 with the vibrational peaks of donor and acceptor groups confirm the inter–molecular hydrogen bond (HB) formation. The calculated UV−Vis spectrum is consistent with the experimental spectrum depicting four major electron–transition bands derived from n (p) → π* and π → π* Intra–Ligand Charge Transfer (ILCT) transitions. Moreover, the calculated stabilization energy of the prepared-1
.………………..
–1 co-crystal that made by O−H···N O-H and N−H···O HBs measured as – 161.92 kcal mol

Sorption characteristic of Cinosulfuron in Pakistani soils along with two minerals and their statistical evaluation

Khuram Shahzad Ahmad, Naghmana Rashid — 2023-02-08

A Sulfonylurea herbicide, Cinosulfuron was investigated for its adsorption-desorption behavior on two minerals and
two Pakistani soils having different geographical conditions. This sulfonylurea herbicide is used in Pakistan against
a wide range of leafy weeds and grasses. The sorption experiments were done utilizing batch equilibrium methods.
The data obtained showed that adsorption co-efficient isotherm for Cinosulfuron in two tested soils well fitted the
Freundlich equation. The isotherm was nonlinear in all cases with slope n<1 resembling the L type curve.
Distribution co-efficient (Kd) parameters were low indicating low adsorption. Low Gibbs free energy values were
connoting the phenomena of physisorption in soils. It was observed that Cinosulfuron herbicide showed a relatively
greater degree of adsorption on soil samples collected from northern hilly areas of Ayubia, Khyber Pukhtunkhwa
(Silt loam) i.e. 25.5% and low adsorption on sandy soil of Multan, Punjab. Soil organic matter (SOM), pH and total
carbon content (TOC) were considered to be imperative factors leading to variances in sorption capacity. Their
regression and correlation was determined with adsorption distribution coefficient (r=-1, r=1 and r=1
respectively).

Synthesis, characterization of pyrazole derivatives by using benzoyl glycine methyl ester as starting material: DNA binding and biological studies

Nasima Arshad, Muhammad Rashid, Naghmana Rashid, Nadia Ria, Bushra Mirza — 2023-02-08

Four pyrazole derivatives{Methyl-2-benzamido-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetate (1A), 2-(benzamido)-2- (1,3,5-trimethyl-1H-pyrazol-4-yl)acetohydrazide (1B), Methyl-2-benzamido-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (2A), 2-(benzamido)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetohydrazide (2B)}were synthesized by the solvent free method and their DNA binding interaction were studied by using UV-Visible spectroscopy and verified by viscometric technique under physiological conditions of pH (stomach; 4.7, blood; 7.4) and temperature (37 oC; (human body
temperature). All the compounds exhibited strong binding with the DNA due to the formation of compound–DNA complex via intercalation. Among all the compounds 2B showed greater binding at pH 7.4 as evident from their greater Kb (5.32 × 104 M). Overall binding data revealed greater binding affinity of all the compounds with DNA at blood p
H. Viscosity studies further verified the intercalation mode of interaction of these compounds with DNA. Standard Gibb’s free energy changes (∆G) were evaluated negative and indicated spontaneous binding of compounds with DNA. Biological studies revealed greater cytotoxicity activity of 1A and 2B with least LD50 values of 170 μg/mL and 171μg/mL, respectively, while all the compounds showed broader range of antibacterial activity with MIC values
ranging from 150-200 gL -1. None of the compounds showed significant antioxidant activity

Ether based Schiff bases- potential antimicrobial agents

Muhammad Shabbir, Zareen Akhter, Hammad Ismail, Bushra Mirza, Amina Basharat — 2023-02-08

A series of Schiff bases 4-((4-phenoxyphenylimino)methyl)phenol(HL1),4-((4-(biphenyl-4-
yloxy)phenylimino)methyl)phenol(HL2),4-((4-(naphthalen-1-yloxy)phenylimino)methyl)Phenol(HL3),4-((4- (naphthalen-2-yloxy)phenylimino)methyl)phenol(HL4) were synthesized from 4- hydroxybenzaldehyde and primary amines(1-amino-4-phenoxybenzene , 4-(4-aminophenyloxy) biphenyl , 1-(4-aminophenoxy) naphthalene and 2-(4-aminophenoxy) naphthalene). The manufactured compounds were characterized by elemental, mass spectrometric and spectroscopic (FTIR, NMR) techniques. These Schiff bases were then further evaluated for
various biological studies (antifungal, cytotoxicity, antitumor and free radical hydroxyl (∙OH) induced DNA
damage assays) to examine their bioactive nature. Antifungal activity of the compounds was determined against Fusarium solani and Mucor species and the results exhibited that most of the compounds are active against Mucor
species while only HL4 showed antifungal activity against both strain. The results of brine shrimp cytotoxicity assay were found highly significant with LD50 in the range of 0.41-0.70µg/ml as compared with Doxorubicin. Similarly, in antitumor assay the prominent activity was recorded in IC50 range of 13.20-27.75µg/ml. Moreover, the biological investigations have shown their bioactive nature in protecting DNA against hydroxyl free radicals (∙OH) in concentration dependent manner.

Synthesis, structure elucidation and antimicrobial activity of triorganotin(IV) derivatives of N-laurylsacosine sodium salt

Farzana Shaheen, Naseer Ali Shah — 2023-02-08

Trimethyl(IV) 1, tributyl(IV) 2 and triphenyltin(IV) 3 derivatives of sodium N-laurylsacosinate L-salt, were
synthesized by refluxing triorganotin(IV) chlorides with N-laurylsacosine sodium salt in dry toluene for 7-8 hours in
good yield. Synthesized compounds were structurally elucidated by CHNS elemental analyzer, FTIR,
1H and 13C
NMR spectroscopy. FTIR results showed that compounds exhibited a Penta coordinated solid state geometry. 13C
NMR spectrum of 1 showed that it was dissociated in solution to adopt a 4-coordinated geometry. Antibacterial
activity of the compound 1-3 was investigated against four different strains of bacteria. The results obtained showed
that compounds exhibit moderate to good antibacterial activities.